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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 , UniProt , Accession X5D2Z4, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 369 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	26.9	Very low	53.2	Low	237 Å²	237	103.3 Å²	103.3	100%	1.167	68%	0.682	S	S	*	*				0	123.3	0	-69.1	-178.8	-175.2	0	0	107	A3	M1-A3 PolarHBondContact O-N 2.88Å
2	A	29	Very low	55.9	Low	98 Å²	98	101.7 Å²	101.7	81%	0.81	67%	0.674	S	S	*	*			trans	-70.5	125.7	-173.3	0	0	0	0	0	110.2
3	A	30.9	Very low	58	Low	78 Å²	78	103.8 Å²	103.8	65%	0.645	66%	0.661	S	S	*	*			trans	-62.9	132.8	170.3	0	0	0	0	0	109.4	M1 G5 H7	M1-A3 PolarHBondContact O-N 2.88Å; A3-G5 PolarHBondContact O-N 3.49Å; A3-H7 PolarHBondContact O-NE2 3.24Å
4	G	31.1	Very low	59.6	Low	84 Å²	84	103.1 Å²	103.1	87%	0.866	64%	0.639	S	S	*	*			trans	-73.1	85.2	-178.8	0	0	0	0	0	112
5	G	40.9	Very low	60.9	Low	45 Å²	45	97.3 Å²	97.3	46%	0.464	60%	0.604	S	S	.	*			trans	-84.7	158.7	155.7	0	0	0	0	0	110.3	A3 H7	A3-G5 PolarHBondContact O-N 3.49Å; G5-H7 VanDerWaalsContact C-N 3.27Å; G5-H7 PolarHBondContact O-CD2 2.77Å; G5-H7 PolarHBondContact O-N 2.98Å; G5-H7 PolarHBondContact O-NE2 3.49Å
6	D	48.2	Very low	62	Low	165 Å²	165	93.9 Å²	93.9	88%	0.882	58%	0.584	S	S	*	*			trans	-63.3	91.5	168.3	-177.6	10	0	0	0	108.8	G8	D6-G8 PolarHBondContact O-N 2.76Å
7	H	54.7	Low	62.7	Low	74 Å²	74	89 Å²	89	34%	0.343	55%	0.553	S	S	.	*			trans	-78.7	5.7	-170.9	-73.5	-63.3	0	0	0	112.5	A3 G5 R14	A3-H7 PolarHBondContact O-NE2 3.24Å; G5-H7 VanDerWaalsContact C-N 3.27Å; G5-H7 PolarHBondContact O-CD2 2.77Å; G5-H7 PolarHBondContact O-N 2.98Å; G5-H7 PolarHBondContact O-NE2 3.49Å; H7-R14 WeakPolarHBondContact O-CD 3.47Å; H7-R14 PolarHBondContact O-NH1 2.82Å
8	G	68.9	Low	63.5	Low	43 Å²	43	86.9 Å²	86.9	44%	0.443	55%	0.546	S	S	.	.			trans	63.5	171.5	-173.7	0	0	0	0	0	113.5	D6 R14	D6-G8 PolarHBondContact O-N 2.76Å; G8-R14 PolarHBondContact O-NH1 3.32Å
9	S	81.6	Confident	64.3	Low	62 Å²	62	84.5 Å²	84.5	43%	0.434	53%	0.532	S	S	.	.			trans	-65.1	136.3	-176.9	176.2	0	0	0	0	112.6	D11 R14	S9-D11 PolarHBondContact O-N 2.96Å; S9-D11 PolarHBondContact OG-N 2.85Å; S9-D11 VanDerWaalsContact OG-N 3.16Å; S9-R14 WeakPolarHBondContact O-CD 3.37Å; S9-R14 PolarHBondContact O-NE 2.73Å
10	P	84.4	Confident	64.8	Low	97 Å²	97	88.6 Å²	88.6	63%	0.63	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-14	172.9	31.2	-36	0	0	0	113.7	S12	P10-S12 PolarHBondContact O-N 3.43Å
11	D	88.8	Confident	65.4	Low	153 Å²	153	86.8 Å²	86.8	82%	0.818	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.2	-177.4	-56.5	-24.9	0	0	0	112.9	S9	S9-D11 PolarHBondContact O-N 2.96Å; S9-D11 PolarHBondContact OG-N 2.85Å; S9-D11 VanDerWaalsContact OG-N 3.16Å
12	S	84.9	Confident	67.7	Low	84 Å²	84	76.5 Å²	76.5	59%	0.587	47%	0.474	S	S	*	.	S	Bend	trans	-120.9	156.8	178.2	-172.1	0	0	0	0	111.9	P10 R14	P10-S12 PolarHBondContact O-N 3.43Å; S12-R14 PolarHBondContact O-N 3.33Å
13	Y	83.8	Confident	70	Confident	130 Å²	130	72 Å²	72	51%	0.51	44%	0.436	S	S	.	.			trans	-59.8	130.9	171.1	167.2	-100.6	0	0	0	110
14	R	80.6	Confident	72.5	Confident	93 Å²	93	72.6 Å²	72.6	35%	0.351	43%	0.433	S	S	.	.			trans	-125.6	139.8	173.8	-65.1	177.3	-71.2	167.4	2.7	108.8	H7 G8 S9 S12	H7-R14 WeakPolarHBondContact O-CD 3.47Å; H7-R14 PolarHBondContact O-NH1 2.82Å; G8-R14 PolarHBondContact O-NH1 3.32Å; S9-R14 WeakPolarHBondContact O-CD 3.37Å; S9-R14 PolarHBondContact O-NE 2.73Å; S12-R14 PolarHBondContact O-N 3.33Å
15	S	78.8	Confident	75	Confident	16 Å²	16	73.6 Å²	73.6	11%	0.112	42%	0.415	C	S	.	.			trans	-61.7	127.9	173.5	-176.5	0	0	0	0	109.2	L17 A18 S19 R359	S15-L17 PolarHBondContact O-N 3.27Å; S15-L17 WeakPolarHBondContact OG-CB 3.23Å; S15-L17 PolarHBondContact OG-N 2.99Å; S15-A18 PolarHBondContact O-N 3.15Å; S15-S19 PolarHBondContact O-N 2.98Å; S15-S19 VanDerWaalsContact O-N 3.12Å; S15-S19 PolarHBondContact O-OG 3.24Å; S15-R359 WeakPolarHBondContact CB-O 3.3Å; S15-R359 PolarHBondContact OG-O 2.94Å
16	P	78	Confident	77	Confident	44 Å²	44	71.9 Å²	71.9	29%	0.286	40%	0.395	S	S	.	.	H	α-helix	trans	-65.8	-18.5	175	28.7	-35.2	0	0	0	111.4	S19 R20 Y21	P16-S19 WeakPolarHBondContact CA-OG 3.37Å; P16-R20 WeakPolarHBondContact O-CA 3.31Å; P16-R20 WeakPolarHBondContact O-CB 3.49Å; P16-R20 PolarHBondContact O-N 3.32Å; P16-Y21 HydrophobicContact CB-CD2 4.17Å; P16-Y21 HydrophobicContact CB-CE2 3.86Å; P16-Y21 HydrophobicContact CG-CE2 4.49Å; P16-Y21 WeakPolarHBondContact O-CD2 3.33Å; P16-Y21 PolarHBondContact O-N 2.91Å
17	L	74.3	Confident	78.7	Confident	10 Å²	10	66 Å²	66	5%	0.052	37%	0.367	C	S	.	.	I	π-helix	trans	-61.3	-56.8	171.3	-95.8	-97.4	0	0	0	111.6	S15 Y21 A22 L307 Y361	S15-L17 PolarHBondContact O-N 3.27Å; S15-L17 WeakPolarHBondContact OG-CB 3.23Å; S15-L17 PolarHBondContact OG-N 2.99Å; L17-Y21 HydrophobicContact CD2-CD2 3.77Å; L17-Y21 HydrophobicContact CD2-CG 4.48Å; L17-Y21 PolarHBondContact O-N 3.39Å; L17-Y21 VanDerWaalsContact O-N 3.14Å; L17-A22 HydrophobicContact CD1-CB 4.37Å; L17-A22 WeakPolarHBondContact O-CB 3.47Å; L17-A22 PolarHBondContact O-N 3.08Å; L17-L307 HydrophobicContact CD2-CD2 4.21Å; L17-Y361 HydrophobicContact CD1-CD1 4.49Å; L17-Y361 HydrophobicContact CD2-CD1 3.56Å; L17-Y361 HydrophobicContact CD2-CE1 3.81Å; L17-Y361 HydrophobicContact CD2-CG 4.36Å; L17-Y361 HydrophobicContact CG-CD1 3.94Å; L17-Y361 HydrophobicContact CG-CE1 4.41Å; L17-Y361 HydrophobicContact CG-CG 4.26Å
18	A	76.4	Confident	80.4	Confident	51 Å²	51	66.8 Å²	66.8	42%	0.421	37%	0.369	S	S	.	.	I	π-helix	trans	-66.4	-42.3	179.9	0	0	0	0	0	112.5	S15	S15-A18 PolarHBondContact O-N 3.15Å
19	S	79.1	Confident	81.2	Confident	41 Å²	41	65.2 Å²	65.2	29%	0.287	35%	0.351	S	S	.	.	I	π-helix	trans	-85.9	-12.3	-172	57.1	0	0	0	0	115.2	S15 P16	S15-S19 PolarHBondContact O-N 2.98Å; S15-S19 VanDerWaalsContact O-N 3.12Å; S15-S19 PolarHBondContact O-OG 3.24Å; P16-S19 WeakPolarHBondContact CA-OG 3.37Å
20	R	74.6	Confident	81.4	Confident	166 Å²	166	63.3 Å²	63.3	63%	0.626	34%	0.335	S	S	*	.	I	π-helix	trans	-143.5	-29.4	-170.2	-170.4	-179.7	175	91.8	-0.2	115.9	P16	P16-R20 WeakPolarHBondContact O-CA 3.31Å; P16-R20 WeakPolarHBondContact O-CB 3.49Å; P16-R20 PolarHBondContact O-N 3.32Å
21	Y	77.1	Confident	81.7	Confident	51 Å²	51	59.9 Å²	59.9	20%	0.2	31%	0.313	C	S	.	.	I	π-helix	trans	-119.6	-45	-165.1	-60.6	-51.7	0	0	0	115.3	P16 L17 R303 L307 Y364	P16-Y21 HydrophobicContact CB-CD2 4.17Å; P16-Y21 HydrophobicContact CB-CE2 3.86Å; P16-Y21 HydrophobicContact CG-CE2 4.49Å; P16-Y21 WeakPolarHBondContact O-CD2 3.33Å; P16-Y21 PolarHBondContact O-N 2.91Å; L17-Y21 HydrophobicContact CD2-CD2 3.77Å; L17-Y21 HydrophobicContact CD2-CG 4.48Å; L17-Y21 PolarHBondContact O-N 3.39Å; L17-Y21 VanDerWaalsContact O-N 3.14Å; Y21-R303 HydrophobicContact CE1-CG 4.35Å; Y21-L307 HydrophobicContact CD2-CD2 4.41Å; Y21-L307 HydrophobicContact CG-CD1 4.36Å; Y21-Y364 AromaticContact CD1-CD2 3.89Å; Y21-Y364 HydrophobicContact CD1-CD2 3.89Å; Y21-Y364 HydrophobicContact CD1-CE2 4.02Å; Y21-Y364 HydrophobicContact CG-CD2 4.31Å; Y21-Y364 WeakPolarHBondContact O-CD2 3.5Å
22	A	74.8	Confident	81.9	Confident	22 Å²	22	53.8 Å²	53.8	18%	0.182	28%	0.281	C	S	.	.	S	Bend	trans	-79.1	154.9	-175.6	0	0	0	0	0	111.6	L17	L17-A22 HydrophobicContact CD1-CB 4.37Å; L17-A22 WeakPolarHBondContact O-CB 3.47Å; L17-A22 PolarHBondContact O-N 3.08Å
23	S	77.9	Confident	82.4	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.021	27%	0.271	C	S	.	.			trans	-70.1	151	176.2	71.6	0	0	0	0	111.1	E25 M26 C27 K134 E363 E367	S23-E25 WeakPolarHBondContact CB-OE2 3.47Å; S23-E25 PolarHBondContact O-N 3.22Å; S23-E25 PolarHBondContact OG-OE2 2.79Å; S23-M26 PolarHBondContact O-N 3.17Å; S23-M26 WeakPolarHBondContact OG-CB 3.29Å; S23-M26 PolarHBondContact OG-N 3.23Å; S23-C27 WeakPolarHBondContact O-CB 3.28Å; S23-C27 PolarHBondContact O-N 3.12Å; S23-C27 PolarHBondContact O-SG 3.17Å; S23-K134 PolarHBondContact OG-NZ 3.22Å; S23-E363 VanDerWaalsContact CB-OE2 3.27Å; S23-E363 WeakPolarHBondContact CB-OE2 3.46Å; S23-E363 PolarHBondContact N-OE2 2.87Å; S23-E363 PolarHBondContact OG-OE1 3.02Å; S23-E363 PolarHBondContact OG-OE2 3.22Å; S23-E367 WeakPolarHBondContact CB-OE1 3.04Å
24	P	83.8	Confident	83	Confident	90 Å²	90	49.4 Å²	49.4	58%	0.584	25%	0.251	S	S	*	.	H	α-helix	trans	-55.2	-35.9	173.8	-25.5	35.3	0	0	0	112.9	C27 F28	P24-C27 PolarHBondContact O-N 3.12Å; P24-F28 WeakPolarHBondContact O-CB 3.31Å; P24-F28 PolarHBondContact O-N 3.01Å
25	E	83.2	Confident	83.7	Confident	105 Å²	105	46.6 Å²	46.6	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-45	-178	-61.2	74.7	-161.9	0	0	111.7	S23 F28 V29 L130	S23-E25 WeakPolarHBondContact CB-OE2 3.47Å; S23-E25 PolarHBondContact O-N 3.22Å; S23-E25 PolarHBondContact OG-OE2 2.79Å; E25-F28 PolarHBondContact O-N 3.19Å; E25-V29 WeakPolarHBondContact O-CG2 3.35Å; E25-V29 PolarHBondContact O-N 3.47Å; E25-V29 VanDerWaalsContact O-N 3.08Å; E25-L130 HydrophobicContact CB-CD1 4.19Å; E25-L130 HydrophobicContact CB-CD2 4.34Å
26	M	84	Confident	84.7	Confident	9 Å²	9	46 Å²	46	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-71	-40.7	176.6	-171.8	66.3	71.8	0	0	112.1	S23 F28 V29 F30 A127 L130 L131 E363	S23-M26 PolarHBondContact O-N 3.17Å; S23-M26 WeakPolarHBondContact OG-CB 3.29Å; S23-M26 PolarHBondContact OG-N 3.23Å; M26-F28 PolarHBondContact O-N 2.9Å; M26-V29 PolarHBondContact O-N 2.83Å; M26-F30 HydrophobicContact CG-CD2 4.22Å; M26-F30 HydrophobicContact CG-CE2 4.31Å; M26-F30 WeakPolarHBondContact O-CD2 3.35Å; M26-F30 PolarHBondContact O-N 3.47Å; M26-F30 HydrophobicContact SD-CD2 4.01Å; M26-F30 HydrophobicContact SD-CE2 3.62Å; M26-A127 HydrophobicContact CE-CB 4.21Å; M26-A127 HydrophobicContact SD-CB 3.75Å; M26-L130 HydrophobicContact CB-CD1 4.42Å; M26-L130 HydrophobicContact CE-CB 3.84Å; M26-L130 HydrophobicContact CE-CD1 4.01Å; M26-L130 HydrophobicContact SD-CD1 4.26Å; M26-L131 HydrophobicContact CE-CD2 4.1Å; M26-L131 HydrophobicContact CE-CG 4.04Å; M26-E363 VanDerWaalsContact CB-OE1 3.32Å; M26-E363 WeakPolarHBondContact CB-OE1 3.47Å; M26-E363 WeakPolarHBondContact CB-OE2 3.27Å; M26-E363 HydrophobicContact CE-CG 4.22Å; M26-E363 VanDerWaalsContact CE-OE1 3.26Å; M26-E363 WeakPolarHBondContact CE-OE1 3.45Å; M26-E363 HydrophobicContact CG-CB 4.42Å
27	C	84.1	Confident	85.6	Confident	41 Å²	41	47.7 Å²	47.7	28%	0.277	24%	0.237	S	C	.	.	H	α-helix	trans	-56.1	-40.3	172.8	-74.1	0	0	0	0	111.1	S23 P24 F30 S31	S23-C27 WeakPolarHBondContact O-CB 3.28Å; S23-C27 PolarHBondContact O-N 3.12Å; S23-C27 PolarHBondContact O-SG 3.17Å; P24-C27 PolarHBondContact O-N 3.12Å; C27-F30 PolarHBondContact O-N 3.46Å; C27-S31 PolarHBondContact O-N 3.33Å
28	F	89	Confident	86.8	Confident	91 Å²	91	47.5 Å²	47.5	40%	0.399	24%	0.237	S	C	.	.	H	α-helix	trans	-66.7	-44	176.5	179.8	-109.6	0	0	0	112.3	P24 E25 M26 F30 S31 R33 Y34	P24-F28 WeakPolarHBondContact O-CB 3.31Å; P24-F28 PolarHBondContact O-N 3.01Å; E25-F28 PolarHBondContact O-N 3.19Å; M26-F28 PolarHBondContact O-N 2.9Å; F28-F30 PolarHBondContact O-N 3.19Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.44Å; F28-S31 PolarHBondContact O-N 3.22Å; F28-S31 PolarHBondContact O-OG 3.05Å; F28-R33 HydrophobicContact CE2-CG 4.29Å; F28-Y34 HydrophobicContact CD1-CD2 4.05Å; F28-Y34 AromaticContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CE2 4.22Å; F28-Y34 HydrophobicContact CE1-CG 4.45Å; F28-Y34 AromaticContact CZ-CD2 4Å; F28-Y34 HydrophobicContact CZ-CD2 4Å; F28-Y34 WeakPolarHBondContact O-CB 3.13Å
29	V	85.3	Confident	87.9	Confident	11 Å²	11	45.2 Å²	45.2	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-35.2	177.8	165.9	0	0	0	0	112.3	E25 M26 Y34 I123 N126 A127 L130	E25-V29 WeakPolarHBondContact O-CG2 3.35Å; E25-V29 PolarHBondContact O-N 3.47Å; E25-V29 VanDerWaalsContact O-N 3.08Å; M26-V29 PolarHBondContact O-N 2.83Å; V29-Y34 WeakPolarHBondContact O-CD1 3.39Å; V29-I123 HydrophobicContact CG1-CB 4.42Å; V29-I123 HydrophobicContact CG1-CG2 3.92Å; V29-N126 HydrophobicContact CG1-CB 4.45Å; V29-A127 HydrophobicContact CG1-CB 4.48Å; V29-L130 HydrophobicContact CG2-CD1 3.91Å
30	F	87.6	Confident	88.8	Confident	21 Å²	21	43.3 Å²	43.3	9%	0.092	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	8.7	177.1	-73.1	-76.9	0	0	0	114.8	M26 C27 F28 I123 A127 Q341	M26-F30 HydrophobicContact CG-CD2 4.22Å; M26-F30 HydrophobicContact CG-CE2 4.31Å; M26-F30 WeakPolarHBondContact O-CD2 3.35Å; M26-F30 PolarHBondContact O-N 3.47Å; M26-F30 HydrophobicContact SD-CD2 4.01Å; M26-F30 HydrophobicContact SD-CE2 3.62Å; C27-F30 PolarHBondContact O-N 3.46Å; F28-F30 PolarHBondContact O-N 3.19Å; F30-I123 HydrophobicContact CD1-CG2 3.59Å; F30-I123 HydrophobicContact CE1-CG2 3.22Å; F30-I123 HydrophobicContact CE2-CG2 4.4Å; F30-I123 HydrophobicContact CG-CG2 4.32Å; F30-I123 HydrophobicContact CZ-CG2 3.7Å; F30-A127 HydrophobicContact CE2-CB 3.97Å; F30-A127 HydrophobicContact CZ-CB 4.11Å; F30-Q341 WeakPolarHBondContact CE1-O 3.32Å; F30-Q341 WeakPolarHBondContact CZ-O 3.42Å
31	S	90	Very high	90	Very high	25 Å²	25	37.4 Å²	37.4	18%	0.175	18%	0.183	C	C	.	.	S	Bend	trans	-78.5	153.7	-179.4	72.3	0	0	0	0	112.8	C27 F28 R33 Y34 K35	C27-S31 PolarHBondContact O-N 3.33Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.44Å; F28-S31 PolarHBondContact O-N 3.22Å; F28-S31 PolarHBondContact O-OG 3.05Å; S31-R33 PolarHBondContact O-N 2.97Å; S31-Y34 PolarHBondContact O-N 3.33Å; S31-Y34 VanDerWaalsContact O-N 3.09Å; S31-Y34 WeakPolarHBondContact OG-CB 3.43Å; S31-Y34 PolarHBondContact OG-N 3.04Å; S31-Y34 VanDerWaalsContact OG-N 3.12Å; S31-K35 PolarHBondContact O-N 2.7Å
32	D	92.8	Very high	91	Very high	25 Å²	25	35 Å²	35	13%	0.134	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-35.3	173.7	-64.4	-43.2	0	0	0	111.9	Y34 K35 F36 F74 H346	D32-Y34 PolarHBondContact O-N 2.86Å; D32-K35 PolarHBondContact O-N 2.99Å; D32-F36 HydrophobicContact CB-CD2 3.97Å; D32-F36 HydrophobicContact CB-CE2 3.81Å; D32-F36 WeakPolarHBondContact O-CB 3.4Å; D32-F36 WeakPolarHBondContact O-CD2 3.4Å; D32-F36 WeakPolarHBondContact O-CG 3.32Å; D32-F36 PolarHBondContact O-N 2.92Å; D32-F74 HydrophobicContact CB-CE1 4.02Å; D32-H346 VanDerWaalsContact CG-NE2 3.32Å; D32-H346 IonicContact OD1-NE2 3.97Å; D32-H346 IonicContact OD2-CE1 2.91Å; D32-H346 PolarHBondContact OD2-CE1 3.49Å; D32-H346 IonicContact OD2-ND1 2.72Å; D32-H346 IonicContact OD2-NE2 3.04Å; D32-H346 PolarHBondContact OD2-NE2 2.91Å
33	R	96.1	Very high	92.2	Very high	99 Å²	99	34.1 Å²	34.1	37%	0.374	17%	0.165	S	C	.	.	H	α-helix	trans	-57.6	-50	172.4	175.1	163.7	-75.7	-82.5	-0.7	111.2	F28 S31 R37 E70 F74	F28-R33 HydrophobicContact CE2-CG 4.29Å; S31-R33 PolarHBondContact O-N 2.97Å; R33-R37 WeakPolarHBondContact O-CB 3.48Å; R33-R37 WeakPolarHBondContact O-CG 3.22Å; R33-R37 PolarHBondContact O-N 3.27Å; R33-E70 PolarHBondContact NH1-O 3.21Å; R33-E70 VanDerWaalsContact NH1-O 3.17Å; R33-E70 IonicContact NH1-OE2 3.24Å; R33-E70 PolarHBondContact NH1-OE2 2.69Å; R33-F74 HydrophobicContact CB-CZ 4.2Å
34	Y	95.9	Very high	93.2	Very high	23 Å²	23	34.1 Å²	34.1	9%	0.09	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-40.3	179.1	-169.9	-93.5	0	0	0	112.7	F28 V29 S31 D32 R37 T38 I123 N126	F28-Y34 HydrophobicContact CD1-CD2 4.05Å; F28-Y34 AromaticContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CE2 4.22Å; F28-Y34 HydrophobicContact CE1-CG 4.45Å; F28-Y34 AromaticContact CZ-CD2 4Å; F28-Y34 HydrophobicContact CZ-CD2 4Å; F28-Y34 WeakPolarHBondContact O-CB 3.13Å; V29-Y34 WeakPolarHBondContact O-CD1 3.39Å; S31-Y34 PolarHBondContact O-N 3.33Å; S31-Y34 VanDerWaalsContact O-N 3.09Å; S31-Y34 WeakPolarHBondContact OG-CB 3.43Å; S31-Y34 PolarHBondContact OG-N 3.04Å; S31-Y34 VanDerWaalsContact OG-N 3.12Å; D32-Y34 PolarHBondContact O-N 2.86Å; Y34-R37 WeakPolarHBondContact O-CG 3.42Å; Y34-T38 VanDerWaalsContact O-CB 3.24Å; Y34-T38 WeakPolarHBondContact O-CB 3.49Å; Y34-T38 PolarHBondContact O-N 3.24Å; Y34-T38 VanDerWaalsContact O-N 3.13Å; Y34-T38 PolarHBondContact O-OG1 2.84Å; Y34-I123 HydrophobicContact CD1-CD1 4.29Å; Y34-I123 HydrophobicContact CD1-CG1 3.86Å; Y34-I123 HydrophobicContact CE1-CG1 3.8Å; Y34-N126 PolarHBondContact OH-ND2 3.19Å
35	K	95.8	Very high	93.9	Very high	35 Å²	35	32 Å²	32	15%	0.152	15%	0.146	C	C	.	.	H	α-helix	trans	-59	-57.1	175.4	178.9	-175.8	173.1	-173.3	0	111.4	S31 D32 T38 W39 T119	S31-K35 PolarHBondContact O-N 2.7Å; D32-K35 PolarHBondContact O-N 2.99Å; K35-T38 CarbonylContact O-C 3.54Å; K35-T38 WeakPolarHBondContact O-CA 3.41Å; K35-T38 WeakPolarHBondContact O-CB 3.17Å; K35-T38 PolarHBondContact O-N 3.46Å; K35-T38 VanDerWaalsContact O-N 3.13Å; K35-W39 PolarHBondContact O-N 3.4Å; K35-T119 HydrophobicContact CG-CG2 4.19Å
36	F	98.3	Very high	94.6	Very high	3 Å²	3	27 Å²	27	1%	0.013	12%	0.123	C	C	.	.	H	α-helix	trans	-77.1	-28.4	-170.7	-62.4	-55.7	0	0	0	113.8	D32 T38 W39 R40 I72 F74 H91	D32-F36 HydrophobicContact CB-CD2 3.97Å; D32-F36 HydrophobicContact CB-CE2 3.81Å; D32-F36 WeakPolarHBondContact O-CB 3.4Å; D32-F36 WeakPolarHBondContact O-CD2 3.4Å; D32-F36 WeakPolarHBondContact O-CG 3.32Å; D32-F36 PolarHBondContact O-N 2.92Å; F36-T38 VanDerWaalsContact C-N 3.28Å; F36-W39 AromaticContact CD1-CD2 3.88Å; F36-W39 HydrophobicContact CD1-CD2 3.88Å; F36-W39 AromaticContact CD1-CE3 3.65Å; F36-W39 HydrophobicContact CD1-CE3 3.65Å; F36-W39 HydrophobicContact CD1-CG 4.43Å; F36-W39 HydrophobicContact CD1-CH2 4.39Å; F36-W39 AromaticContact CD1-CZ3 3.89Å; F36-W39 HydrophobicContact CD1-CZ3 3.89Å; F36-W39 HydrophobicContact CE1-CD2 4.33Å; F36-W39 AromaticContact CE1-CE3 3.94Å; F36-W39 HydrophobicContact CE1-CE3 3.94Å; F36-W39 AromaticContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CZ2 4.29Å; F36-W39 AromaticContact CE1-CZ3 3.66Å; F36-W39 HydrophobicContact CE1-CZ3 3.66Å; F36-W39 WeakPolarHBondContact O-CB 3.48Å; F36-W39 PolarHBondContact O-N 3.43Å; F36-R40 PolarHBondContact O-N 3.13Å; F36-R40 VanDerWaalsContact O-N 3.13Å; F36-I72 HydrophobicContact CB-CD1 3.98Å; F36-F74 HydrophobicContact CD2-CD1 4.33Å; F36-F74 AromaticContact CD2-CE1 3.74Å; F36-F74 HydrophobicContact CD2-CE1 3.74Å; F36-F74 HydrophobicContact CE2-CE1 4.32Å; F36-H91 AromaticContact CD1-CD2 3.8Å; F36-H91 AromaticContact CD1-CE1 3.3Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.2Å; F36-H91 AromaticContact CD1-CG 3.87Å; F36-H91 AromaticContact CD1-ND1 3.58Å; F36-H91 AromaticContact CD1-NE2 3.44Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.45Å; F36-H91 AromaticContact CD2-CE1 3.54Å; F36-H91 AromaticContact CD2-NE2 3.85Å; F36-H91 AromaticContact CE1-CD2 3.55Å; F36-H91 AromaticContact CE1-CE1 3.61Å; F36-H91 AromaticContact CE1-NE2 3.21Å; F36-H91 WeakPolarHBondContact CE1-NE2 2.88Å; F36-H91 AromaticContact CE2-CE1 3.83Å; F36-H91 AromaticContact CE2-NE2 3.65Å; F36-H91 AromaticContact CG-CE1 3.26Å; F36-H91 WeakPolarHBondContact CG-CE1 3.48Å; F36-H91 AromaticContact CG-ND1 3.77Å; F36-H91 AromaticContact CG-NE2 3.76Å; F36-H91 AromaticContact CZ-CE1 3.86Å; F36-H91 AromaticContact CZ-NE2 3.32Å; F36-H91 VanDerWaalsContact CZ-NE2 3.32Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.47Å
37	R	98.4	Very high	95.3	Very high	80 Å²	80	26.7 Å²	26.7	30%	0.302	12%	0.121	S	C	.	.	H	α-helix	trans	-66.9	-33.5	167.3	68.2	94.9	80.5	167.1	4.3	111.3	R33 Y34 R40 Q41 E70 I72	R33-R37 WeakPolarHBondContact O-CB 3.48Å; R33-R37 WeakPolarHBondContact O-CG 3.22Å; R33-R37 PolarHBondContact O-N 3.27Å; Y34-R37 WeakPolarHBondContact O-CG 3.42Å; R37-R40 PolarHBondContact O-N 3.16Å; R37-Q41 WeakPolarHBondContact O-CB 3.31Å; R37-Q41 PolarHBondContact O-N 3.35Å; R37-E70 IonicContact CZ-OE1 3.63Å; R37-E70 IonicContact NE-OE1 2.87Å; R37-E70 PolarHBondContact NE-OE1 2.98Å; R37-E70 IonicContact NH2-OE1 3.34Å; R37-E70 PolarHBondContact NH2-OE1 3.43Å; R37-I72 HydrophobicContact CB-CD1 3.95Å
38	T	98.8	Very high	96	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-70.5	-35.3	174.6	-56.7	0	0	0	0	111.5	Y34 K35 F36 R40 Q41 L42 T119 I122	Y34-T38 VanDerWaalsContact O-CB 3.24Å; Y34-T38 WeakPolarHBondContact O-CB 3.49Å; Y34-T38 PolarHBondContact O-N 3.24Å; Y34-T38 VanDerWaalsContact O-N 3.13Å; Y34-T38 PolarHBondContact O-OG1 2.84Å; K35-T38 CarbonylContact O-C 3.54Å; K35-T38 WeakPolarHBondContact O-CA 3.41Å; K35-T38 WeakPolarHBondContact O-CB 3.17Å; K35-T38 PolarHBondContact O-N 3.46Å; K35-T38 VanDerWaalsContact O-N 3.13Å; F36-T38 VanDerWaalsContact C-N 3.28Å; T38-R40 PolarHBondContact O-N 3.04Å; T38-Q41 WeakPolarHBondContact O-CB 3.44Å; T38-Q41 PolarHBondContact O-N 2.85Å; T38-L42 HydrophobicContact CG2-CD1 4.28Å; T38-L42 WeakPolarHBondContact O-CG 3.42Å; T38-L42 PolarHBondContact O-N 3.37Å; T38-T119 HydrophobicContact CG2-CG2 3.86Å; T38-I122 HydrophobicContact CG2-CD1 3.77Å; T38-I122 HydrophobicContact CG2-CG2 4.38Å
39	W	98.8	Very high	96.5	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.011	10%	0.097	C	C	.	.	H	α-helix	trans	-58.2	-48.4	170.4	-73.6	18.6	0	0	0	111.6	K35 F36 Q41 L42 W43 D87 V88 H91 V115	K35-W39 PolarHBondContact O-N 3.4Å; F36-W39 AromaticContact CD1-CD2 3.88Å; F36-W39 HydrophobicContact CD1-CD2 3.88Å; F36-W39 AromaticContact CD1-CE3 3.65Å; F36-W39 HydrophobicContact CD1-CE3 3.65Å; F36-W39 HydrophobicContact CD1-CG 4.43Å; F36-W39 HydrophobicContact CD1-CH2 4.39Å; F36-W39 AromaticContact CD1-CZ3 3.89Å; F36-W39 HydrophobicContact CD1-CZ3 3.89Å; F36-W39 HydrophobicContact CE1-CD2 4.33Å; F36-W39 AromaticContact CE1-CE3 3.94Å; F36-W39 HydrophobicContact CE1-CE3 3.94Å; F36-W39 AromaticContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CZ2 4.29Å; F36-W39 AromaticContact CE1-CZ3 3.66Å; F36-W39 HydrophobicContact CE1-CZ3 3.66Å; F36-W39 WeakPolarHBondContact O-CB 3.48Å; F36-W39 PolarHBondContact O-N 3.43Å; W39-Q41 VanDerWaalsContact C-N 3.31Å; W39-Q41 PolarHBondContact O-N 3.38Å; W39-L42 PolarHBondContact O-N 3.38Å; W39-W43 HydrophobicContact CB-CE3 4.43Å; W39-W43 HydrophobicContact CB-CH2 4.32Å; W39-W43 HydrophobicContact CB-CZ3 4.06Å; W39-W43 HydrophobicContact CE3-CH2 4.08Å; W39-W43 PolarHBondContact O-N 3.37Å; W39-D87 HydrophobicContact CH2-CB 4.49Å; W39-D87 WeakPolarHBondContact CH2-OD2 3.42Å; W39-V88 HydrophobicContact CH2-CB 4.4Å; 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 4.2Å; W39-V88 HydrophobicContact CZ3-CG2 3.72Å; W39-H91 HydrophobicContact CE3-CB 3.96Å; W39-H91 HydrophobicContact CZ3-CB 4.06Å; W39-V115 HydrophobicContact CB-CB 4.04Å; W39-V115 HydrophobicContact CB-CG1 4.27Å; W39-V115 HydrophobicContact CD2-CB 3.94Å; W39-V115 HydrophobicContact CD2-CG2 3.7Å; W39-V115 HydrophobicContact CE3-CG2 4Å; W39-V115 HydrophobicContact CG-CB 3.68Å; W39-V115 HydrophobicContact CG-CG1 4.43Å; W39-V115 HydrophobicContact CG-CG2 4.01Å; W39-V115 HydrophobicContact CZ2-CG2 4.35Å; W39-V115 HydrophobicContact CZ3-CG2 4.49Å; W39-V115 PolarHBondContact NE1-O 2.7Å
40	R	98.8	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-39.1	175.6	-67.6	-177.3	176.1	-162.2	3	112.4	F36 R37 T38 W43 L44 N68 L69 N71 F95	F36-R40 PolarHBondContact O-N 3.13Å; F36-R40 VanDerWaalsContact O-N 3.13Å; R37-R40 PolarHBondContact O-N 3.16Å; T38-R40 PolarHBondContact O-N 3.04Å; R40-W43 HydrophobicContact CG-CE3 4.25Å; R40-W43 HydrophobicContact CG-CZ3 4.4Å; R40-W43 PolarHBondContact O-N 2.93Å; R40-L44 PolarHBondContact O-N 2.95Å; R40-N68 PolarHBondContact NH1-O 2.66Å; R40-L69 HydrophobicContact CB-CD2 3.75Å; R40-L69 WeakPolarHBondContact CD-O 3.4Å; R40-N71 VanDerWaalsContact NH1-C 3.25Å; R40-N71 PolarHBondContact NH1-O 2.87Å; R40-N71 PolarHBondContact NH2-O 3.14Å; R40-F95 HydrophobicContact CB-CD1 4.48Å; R40-F95 HydrophobicContact CB-CE1 4Å; R40-F95 HydrophobicContact CB-CE2 4.41Å; R40-F95 HydrophobicContact CB-CZ 3.96Å; R40-F95 HydrophobicContact CG-CD1 3.89Å; R40-F95 HydrophobicContact CG-CD2 4.03Å; R40-F95 HydrophobicContact CG-CE1 3.9Å; R40-F95 HydrophobicContact CG-CE2 4.03Å; R40-F95 HydrophobicContact CG-CG 3.97Å; R40-F95 HydrophobicContact CG-CZ 3.96Å
41	Q	98.9	Very high	97.7	Very high	43 Å²	43	23 Å²	23	20%	0.201	10%	0.101	C	C	.	.	H	α-helix	trans	-63.7	-40.8	175.7	-176.4	61	80.1	0	0	112.3	R37 T38 W39 L44 W45	R37-Q41 WeakPolarHBondContact O-CB 3.31Å; R37-Q41 PolarHBondContact O-N 3.35Å; T38-Q41 WeakPolarHBondContact O-CB 3.44Å; T38-Q41 PolarHBondContact O-N 2.85Å; W39-Q41 VanDerWaalsContact C-N 3.31Å; W39-Q41 PolarHBondContact O-N 3.38Å; Q41-L44 PolarHBondContact O-N 3.39Å; Q41-W45 HydrophobicContact CG-CD2 4.08Å; Q41-W45 HydrophobicContact CG-CE3 4.34Å; Q41-W45 HydrophobicContact CG-CH2 3.68Å; Q41-W45 HydrophobicContact CG-CZ2 3.41Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.41Å; Q41-W45 HydrophobicContact CG-CZ3 4.14Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.3Å; Q41-W45 PolarHBondContact O-N 3.14Å
42	L	98.9	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-40.4	175.3	-73.8	164.2	0	0	0	111.4	T38 W39 L44 W45 L46 Y114 V115 N118 T119 I122 F195	T38-L42 HydrophobicContact CG2-CD1 4.28Å; T38-L42 WeakPolarHBondContact O-CG 3.42Å; T38-L42 PolarHBondContact O-N 3.37Å; W39-L42 PolarHBondContact O-N 3.38Å; L42-L44 VanDerWaalsContact C-N 3.35Å; L42-W45 HydrophobicContact CD2-CE3 3.86Å; L42-W45 HydrophobicContact CD2-CZ3 3.95Å; L42-W45 HydrophobicContact CG-CE3 4.48Å; L42-W45 PolarHBondContact O-N 2.98Å; L42-L46 WeakPolarHBondContact O-CB 3.38Å; L42-L46 PolarHBondContact O-N 3.06Å; L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 WeakPolarHBondContact O-CE1 3.37Å; L42-Y114 PolarHBondContact O-OH 3.48Å; L42-V115 HydrophobicContact CB-CG1 4.15Å; L42-V115 HydrophobicContact CD1-CB 4.48Å; L42-N118 HydrophobicContact CD1-CB 3.88Å; L42-N118 HydrophobicContact CD2-CB 3.98Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.48Å; L42-I122 HydrophobicContact CD2-CD1 4.26Å; L42-F195 HydrophobicContact CD2-CZ 3.8Å
43	W	98.9	Very high	98.4	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-39.8	172.8	-74.2	-43.6	0	0	0	112.7	W39 R40 L46 A47 M65 V88 H91 V92 F95 I106 H107 V115	W39-W43 HydrophobicContact CB-CE3 4.43Å; W39-W43 HydrophobicContact CB-CH2 4.32Å; W39-W43 HydrophobicContact CB-CZ3 4.06Å; W39-W43 HydrophobicContact CE3-CH2 4.08Å; W39-W43 PolarHBondContact O-N 3.37Å; R40-W43 HydrophobicContact CG-CE3 4.25Å; R40-W43 HydrophobicContact CG-CZ3 4.4Å; R40-W43 PolarHBondContact O-N 2.93Å; W43-L46 WeakPolarHBondContact O-CB 3.35Å; W43-L46 PolarHBondContact O-N 3.43Å; W43-A47 PolarHBondContact O-N 2.96Å; W43-M65 VanDerWaalsContact C-CE 3.46Å; W43-M65 HydrophobicContact CB-CE 3.82Å; W43-M65 WeakPolarHBondContact O-CE 3.47Å; W43-V88 HydrophobicContact CH2-CG1 4.48Å; W43-V88 HydrophobicContact CZ2-CG1 3.93Å; W43-H91 HydrophobicContact CH2-CB 4.04Å; W43-H91 HydrophobicContact CZ3-CB 4.38Å; W43-V92 HydrophobicContact CH2-CG2 3.76Å; W43-V92 HydrophobicContact CZ2-CG2 3.42Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.42Å; W43-F95 HydrophobicContact CB-CE1 4.5Å; W43-F95 AromaticContact CE3-CD1 3.82Å; W43-F95 HydrophobicContact CE3-CD1 3.82Å; W43-F95 HydrophobicContact CE3-CE1 4.34Å; W43-F95 HydrophobicContact CZ3-CD1 4.39Å; W43-I106 HydrophobicContact CD2-CG2 3.93Å; W43-I106 HydrophobicContact CE3-CG2 4.23Å; W43-I106 HydrophobicContact CG-CG2 4.06Å; W43-H107 AromaticContact CE2-ND1 3.61Å; W43-H107 AromaticContact CZ2-ND1 3.71Å; W43-H107 AromaticContact NE1-CG 3.59Å; W43-H107 AromaticContact NE1-ND1 2.95Å; W43-H107 PolarHBondContact NE1-ND1 3.41Å; W43-V115 HydrophobicContact CD2-CG1 3.98Å; W43-V115 VanDerWaalsContact CE2-CG1 3.45Å; W43-V115 HydrophobicContact CG-CG1 4.24Å; W43-V115 HydrophobicContact CZ2-CB 4.43Å; W43-V115 HydrophobicContact CZ2-CG1 3.8Å; W43-V115 HydrophobicContact CZ2-CG2 3.92Å
44	L	98.9	Very high	98.5	Very high	4 Å²	4	24 Å²	24	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-48.1	173.9	176.2	63.5	0	0	0	111.2	R40 Q41 L42 L46 A47 E48 I62 M65 K66 L69	R40-L44 PolarHBondContact O-N 2.95Å; Q41-L44 PolarHBondContact O-N 3.39Å; L42-L44 VanDerWaalsContact C-N 3.35Å; L44-L46 VanDerWaalsContact C-N 3.27Å; L44-L46 PolarHBondContact O-N 3.41Å; L44-A47 PolarHBondContact O-N 3.31Å; L44-E48 HydrophobicContact CD1-CG 4.18Å; L44-E48 HydrophobicContact CG-CG 4.43Å; L44-E48 WeakPolarHBondContact O-CB 3.39Å; L44-E48 VanDerWaalsContact O-CG 3.31Å; L44-E48 WeakPolarHBondContact O-CG 3.4Å; L44-E48 PolarHBondContact O-N 3.24Å; L44-I62 HydrophobicContact CD1-CG2 3.74Å; L44-M65 HydrophobicContact CD1-CB 4.13Å; L44-K66 HydrophobicContact CD1-CB 4.12Å; L44-K66 HydrophobicContact CD2-CB 3.84Å; L44-K66 HydrophobicContact CD2-CD 4.46Å; L44-K66 HydrophobicContact CD2-CG 3.92Å; L44-L69 HydrophobicContact CB-CD2 4.22Å; L44-L69 HydrophobicContact CD2-CD1 3.91Å; L44-L69 HydrophobicContact CD2-CD2 4.16Å; L44-L69 HydrophobicContact CD2-CG 4.41Å
45	W	98.9	Very high	98.6	Very high	45 Å²	45	23.9 Å²	23.9	17%	0.17	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-33.9	177.6	-68.4	-24.8	0	0	0	113.3	Q41 L42 A49 I122 K229 A230	Q41-W45 HydrophobicContact CG-CD2 4.08Å; Q41-W45 HydrophobicContact CG-CE3 4.34Å; Q41-W45 HydrophobicContact CG-CH2 3.68Å; Q41-W45 HydrophobicContact CG-CZ2 3.41Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.41Å; Q41-W45 HydrophobicContact CG-CZ3 4.14Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.3Å; Q41-W45 PolarHBondContact O-N 3.14Å; L42-W45 HydrophobicContact CD2-CE3 3.86Å; L42-W45 HydrophobicContact CD2-CZ3 3.95Å; L42-W45 HydrophobicContact CG-CE3 4.48Å; L42-W45 PolarHBondContact O-N 2.98Å; W45-A49 WeakPolarHBondContact O-CB 3.42Å; W45-A49 PolarHBondContact O-N 3.11Å; W45-A49 VanDerWaalsContact O-N 3.12Å; W45-I122 HydrophobicContact CZ3-CD1 4.27Å; W45-K229 HydrophobicContact CB-CB 4.22Å; W45-K229 HydrophobicContact CB-CD 3.79Å; W45-K229 HydrophobicContact CD2-CB 3.84Å; W45-K229 HydrophobicContact CE3-CB 4.4Å; W45-K229 HydrophobicContact CG-CB 3.74Å; W45-K229 HydrophobicContact CG-CD 3.9Å; W45-K229 HydrophobicContact CG-CG 4.37Å; W45-K229 WeakPolarHBondContact CZ2-O 3.43Å; W45-A230 HydrophobicContact CE3-CB 4.16Å; W45-A230 HydrophobicContact CH2-CB 4.3Å; W45-A230 HydrophobicContact CZ3-CB 3.64Å
46	L	98.9	Very high	98.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-54.6	173.7	-174.3	64.6	0	0	0	110	L42 W43 L44 E48 A49 E50 A110 Y114 V198 F208 L222 V226	L42-L46 WeakPolarHBondContact O-CB 3.38Å; L42-L46 PolarHBondContact O-N 3.06Å; W43-L46 WeakPolarHBondContact O-CB 3.35Å; W43-L46 PolarHBondContact O-N 3.43Å; L44-L46 VanDerWaalsContact C-N 3.27Å; L44-L46 PolarHBondContact O-N 3.41Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-E48 PolarHBondContact O-N 2.93Å; L46-A49 PolarHBondContact O-N 2.71Å; L46-A49 VanDerWaalsContact O-N 3.12Å; L46-E50 HydrophobicContact CD1-CG 4.26Å; L46-E50 HydrophobicContact CG-CG 4.31Å; L46-E50 WeakPolarHBondContact O-CB 3.33Å; L46-E50 WeakPolarHBondContact O-CG 3.36Å; L46-E50 PolarHBondContact O-N 2.96Å; L46-A110 HydrophobicContact CD2-CB 3.97Å; L46-Y114 HydrophobicContact CB-CE1 3.89Å; L46-Y114 HydrophobicContact CD2-CD1 4.2Å; L46-Y114 HydrophobicContact CD2-CE1 3.88Å; L46-Y114 HydrophobicContact CG-CE1 4.33Å; L46-V198 HydrophobicContact CD1-CG1 3.83Å; L46-F208 HydrophobicContact CD1-CE1 4.14Å; L46-F208 HydrophobicContact CD1-CZ 4.42Å; L46-L222 HydrophobicContact CD1-CD1 4.21Å; L46-L222 HydrophobicContact CD1-CD2 4.24Å; L46-V226 HydrophobicContact CD1-CG1 4.48Å
47	A	98.9	Very high	98.7	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-41.8	-179.1	0	0	0	0	0	112.5	W43 L44 A49 Q51 I57 I62 M65 I105	W43-A47 PolarHBondContact O-N 2.96Å; L44-A47 PolarHBondContact O-N 3.31Å; A47-A49 VanDerWaalsContact C-N 3.35Å; A47-A49 PolarHBondContact O-N 3.38Å; A47-Q51 VanDerWaalsContact O-CB 3.27Å; A47-Q51 WeakPolarHBondContact O-CB 3.32Å; A47-Q51 PolarHBondContact O-N 2.93Å; A47-I57 HydrophobicContact CB-CD1 4.32Å; A47-I57 HydrophobicContact CB-CG2 4.43Å; A47-I62 HydrophobicContact CB-CG1 4.29Å; A47-M65 HydrophobicContact CB-CE 4.1Å; A47-M65 HydrophobicContact CB-SD 3.99Å; A47-I105 HydrophobicContact CB-CD1 4.17Å
48	E	98.9	Very high	98.8	Very high	36 Å²	36	27.9 Å²	27.9	17%	0.168	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-41.9	174.9	-73.8	174.6	169.1	0	0	112.4	L44 L46 T52 I62 K229	L44-E48 HydrophobicContact CD1-CG 4.18Å; L44-E48 HydrophobicContact CG-CG 4.43Å; L44-E48 WeakPolarHBondContact O-CB 3.39Å; L44-E48 VanDerWaalsContact O-CG 3.31Å; L44-E48 WeakPolarHBondContact O-CG 3.4Å; L44-E48 PolarHBondContact O-N 3.24Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-E48 PolarHBondContact O-N 2.93Å; E48-T52 PolarHBondContact O-N 3.33Å; E48-T52 VanDerWaalsContact O-N 3.17Å; E48-T52 PolarHBondContact O-OG1 3.21Å; E48-I62 HydrophobicContact CG-CD1 4.27Å; E48-I62 HydrophobicContact CG-CG2 3.81Å; E48-K229 IonicContact OE2-NZ 3.99Å; E48-K229 PolarHBondContact OE2-NZ 2.69Å
49	A	98.8	Very high	98.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.4	-42.6	-179.7	0	0	0	0	0	111.8	W45 L46 A47 Q51 T52 L53 L222 M225 V226	W45-A49 WeakPolarHBondContact O-CB 3.42Å; W45-A49 PolarHBondContact O-N 3.11Å; W45-A49 VanDerWaalsContact O-N 3.12Å; L46-A49 PolarHBondContact O-N 2.71Å; L46-A49 VanDerWaalsContact O-N 3.12Å; A47-A49 VanDerWaalsContact C-N 3.35Å; A47-A49 PolarHBondContact O-N 3.38Å; A49-Q51 PolarHBondContact O-N 2.92Å; A49-T52 WeakPolarHBondContact O-CB 3.39Å; A49-T52 PolarHBondContact O-N 3.29Å; A49-L53 VanDerWaalsContact O-CG 3.29Å; A49-L53 WeakPolarHBondContact O-CG 3.41Å; A49-L53 PolarHBondContact O-N 3.35Å; A49-L222 HydrophobicContact CB-CD1 3.47Å; A49-L222 VanDerWaalsContact CB-CD1 3.47Å; A49-M225 HydrophobicContact CB-CB 3.93Å; A49-M225 HydrophobicContact CB-CE 3.99Å; A49-M225 HydrophobicContact CB-SD 4.22Å; A49-V226 HydrophobicContact CB-CG1 4.2Å
50	E	98.9	Very high	98.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-43.7	174.3	-76.5	-177.9	156.2	0	0	112.1	L46 L53 G54 L55 I57 L222	L46-E50 HydrophobicContact CD1-CG 4.26Å; L46-E50 HydrophobicContact CG-CG 4.31Å; L46-E50 WeakPolarHBondContact O-CB 3.33Å; L46-E50 WeakPolarHBondContact O-CG 3.36Å; L46-E50 PolarHBondContact O-N 2.96Å; E50-L53 CarbonylContact O-C 3.47Å; E50-L53 PolarHBondContact O-N 3.47Å; E50-G54 PolarHBondContact O-N 3.48Å; E50-L55 HydrophobicContact CB-CB 4.27Å; E50-L55 HydrophobicContact CB-CD1 3.78Å; E50-L55 HydrophobicContact CB-CG 4.47Å; E50-L55 HydrophobicContact CG-CD1 3.81Å; E50-L55 WeakPolarHBondContact O-CB 3.22Å; E50-L55 PolarHBondContact O-N 3.11Å; E50-I57 HydrophobicContact CB-CD1 3.54Å; E50-L222 HydrophobicContact CG-CD1 3.95Å; E50-L222 HydrophobicContact CG-CD2 4.23Å
51	Q	98.8	Very high	98.7	Very high	50 Å²	50	40.1 Å²	40.1	23%	0.234	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-49.1	172.8	-178.7	-172.9	58.3	0	0	111.3	A47 A49 L53 G54 I57 D59 I62	A47-Q51 VanDerWaalsContact O-CB 3.27Å; A47-Q51 WeakPolarHBondContact O-CB 3.32Å; A47-Q51 PolarHBondContact O-N 2.93Å; A49-Q51 PolarHBondContact O-N 2.92Å; Q51-L53 PolarHBondContact O-N 2.9Å; Q51-G54 PolarHBondContact O-N 3.46Å; Q51-I57 HydrophobicContact CB-CB 3.97Å; Q51-I57 HydrophobicContact CB-CG2 4.23Å; Q51-I57 HydrophobicContact CG-CB 4.41Å; Q51-I57 WeakPolarHBondContact CG-O 3.45Å; Q51-I57 PolarHBondContact NE2-O 3.37Å; Q51-D59 PolarHBondContact NE2-OD1 3.34Å; Q51-D59 PolarHBondContact OE1-OD1 2.89Å; Q51-I62 HydrophobicContact CB-CD1 3.94Å; Q51-I62 HydrophobicContact CG-CD1 4.23Å
52	T	98.8	Very high	98.7	Very high	96 Å²	96	38.8 Å²	38.8	59%	0.589	22%	0.223	S	C	*	.	H	α-helix	trans	-59.7	-32	-179.7	-57.1	0	0	0	0	111.8	E48 A49 G54 M225	E48-T52 PolarHBondContact O-N 3.33Å; E48-T52 VanDerWaalsContact O-N 3.17Å; E48-T52 PolarHBondContact O-OG1 3.21Å; A49-T52 WeakPolarHBondContact O-CB 3.39Å; A49-T52 PolarHBondContact O-N 3.29Å; T52-G54 VanDerWaalsContact C-N 3.28Å; T52-G54 PolarHBondContact O-N 2.96Å; T52-M225 HydrophobicContact CG2-CE 3.75Å
53	L	98.7	Very high	98.7	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.063	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	3.8	178.8	-64.4	170.9	0	0	0	113.8	A49 E50 Q51 F212 K218 Q221 L222 M225	A49-L53 VanDerWaalsContact O-CG 3.29Å; A49-L53 WeakPolarHBondContact O-CG 3.41Å; A49-L53 PolarHBondContact O-N 3.35Å; E50-L53 CarbonylContact O-C 3.47Å; E50-L53 PolarHBondContact O-N 3.47Å; Q51-L53 PolarHBondContact O-N 2.9Å; L53-F212 HydrophobicContact CB-CE1 3.77Å; L53-F212 HydrophobicContact CB-CZ 4.04Å; L53-F212 HydrophobicContact CD1-CE1 4.46Å; L53-F212 HydrophobicContact CD1-CZ 3.94Å; L53-K218 WeakPolarHBondContact CD1-O 3.36Å; L53-K218 HydrophobicContact CD2-CG 4.47Å; L53-K218 WeakPolarHBondContact O-CE 3.38Å; L53-K218 PolarHBondContact O-NZ 3.41Å; L53-Q221 HydrophobicContact CD1-CB 4.44Å; L53-Q221 HydrophobicContact CD2-CB 3.87Å; L53-L222 HydrophobicContact CD1-CB 3.59Å; L53-L222 HydrophobicContact CD1-CD1 4.06Å; L53-L222 HydrophobicContact CD1-CG 4.39Å; L53-M225 HydrophobicContact CD1-SD 4.35Å; L53-M225 HydrophobicContact CD2-SD 4.33Å; L53-M225 HydrophobicContact CG-SD 4.23Å
54	G	98.2	Very high	98.7	Very high	61 Å²	61	45.2 Å²	45.2	63%	0.629	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	13.6	170.1	0	0	0	0	0	115.4	E50 Q51 T52	E50-G54 PolarHBondContact O-N 3.48Å; Q51-G54 PolarHBondContact O-N 3.46Å; T52-G54 VanDerWaalsContact C-N 3.28Å; T52-G54 PolarHBondContact O-N 2.96Å
55	L	98.5	Very high	98.7	Very high	22 Å²	22	45 Å²	45	12%	0.115	25%	0.253	C	S	.	.			trans	-71.1	149.9	168.7	-70.8	179	0	0	0	110.7	E50 I57 L108 L211 F212	E50-L55 HydrophobicContact CB-CB 4.27Å; E50-L55 HydrophobicContact CB-CD1 3.78Å; E50-L55 HydrophobicContact CB-CG 4.47Å; E50-L55 HydrophobicContact CG-CD1 3.81Å; E50-L55 WeakPolarHBondContact O-CB 3.22Å; E50-L55 PolarHBondContact O-N 3.11Å; L55-I57 HydrophobicContact CB-CD1 4.47Å; L55-I57 HydrophobicContact CB-CG1 4.48Å; L55-I57 PolarHBondContact O-N 3.32Å; L55-L108 HydrophobicContact CD1-CD2 4.33Å; L55-L211 HydrophobicContact CD1-CB 4.49Å; L55-F212 HydrophobicContact CD1-CE1 3.81Å; L55-F212 HydrophobicContact CD1-CZ 3.92Å; L55-F212 HydrophobicContact CD2-CD1 4.36Å; L55-F212 HydrophobicContact CD2-CE1 4.22Å; L55-F212 HydrophobicContact CG-CD1 4.32Å; L55-F212 HydrophobicContact CG-CE1 3.69Å; L55-F212 HydrophobicContact CG-CZ 4.3Å
56	P	98.1	Very high	98.7	Very high	118 Å²	118	48.2 Å²	48.2	77%	0.766	27%	0.267	S	S	*	.	S	Bend	trans	-75.3	70.3	-173.4	32.1	-37.3	0	0	0	112
57	I	98.8	Very high	98.7	Very high	9 Å²	9	52 Å²	52	5%	0.046	29%	0.294	C	S	.	.			trans	-117.5	129.1	178.5	-59.8	177.1	0	0	0	108.1	A47 E50 Q51 L55 I62 I105	A47-I57 HydrophobicContact CB-CD1 4.32Å; A47-I57 HydrophobicContact CB-CG2 4.43Å; E50-I57 HydrophobicContact CB-CD1 3.54Å; Q51-I57 HydrophobicContact CB-CB 3.97Å; Q51-I57 HydrophobicContact CB-CG2 4.23Å; Q51-I57 HydrophobicContact CG-CB 4.41Å; Q51-I57 WeakPolarHBondContact CG-O 3.45Å; Q51-I57 PolarHBondContact NE2-O 3.37Å; L55-I57 HydrophobicContact CB-CD1 4.47Å; L55-I57 HydrophobicContact CB-CG1 4.48Å; L55-I57 PolarHBondContact O-N 3.32Å; I57-I62 HydrophobicContact CG2-CD1 3.98Å; I57-I62 HydrophobicContact CG2-CG1 3.88Å; I57-I105 HydrophobicContact CG1-CB 4.37Å; I57-I105 HydrophobicContact CG1-CG2 4.29Å; I57-I105 HydrophobicContact CG2-CG1 4.49Å
58	T	98.8	Very high	98.7	Very high	74 Å²	74	53.2 Å²	53.2	45%	0.454	30%	0.3	S	S	.	.			trans	-95	154.1	-177.1	72.3	0	0	0	0	112.2	E60 Q61 I62	T58-E60 PolarHBondContact O-N 3.38Å; T58-Q61 WeakPolarHBondContact O-CB 3.37Å; T58-Q61 PolarHBondContact O-N 3.04Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.44Å; T58-Q61 PolarHBondContact OG1-N 2.98Å; T58-I62 PolarHBondContact O-N 3.13Å
59	D	98.7	Very high	98.6	Very high	117 Å²	117	52.6 Å²	52.6	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-58.5	-32.4	174.7	-67	-14.5	0	0	0	111.8	Q51 I62 Q63	Q51-D59 PolarHBondContact NE2-OD1 3.34Å; Q51-D59 PolarHBondContact OE1-OD1 2.89Å; D59-I62 PolarHBondContact O-N 2.86Å; D59-Q63 VanDerWaalsContact O-CB 3.23Å; D59-Q63 WeakPolarHBondContact O-CB 3.27Å; D59-Q63 PolarHBondContact O-N 3.36Å
60	E	98.5	Very high	98.6	Very high	120 Å²	120	56.5 Å²	56.5	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-63.1	-41.3	175.5	-65.7	-171.3	-166.1	0	0	112.2	T58 E64 K101	T58-E60 PolarHBondContact O-N 3.38Å; E60-E64 VanDerWaalsContact O-CB 3.32Å; E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 PolarHBondContact O-N 3.01Å; E60-K101 IonicContact OE2-NZ 2.73Å; E60-K101 PolarHBondContact OE2-NZ 3.49Å
61	Q	98.8	Very high	98.6	Very high	29 Å²	29	60.9 Å²	60.9	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-46.4	176.9	-69.2	172.7	-48.7	0	0	110.9	T58 Q63 E64 M65 K101 A102 I105	T58-Q61 WeakPolarHBondContact O-CB 3.37Å; T58-Q61 PolarHBondContact O-N 3.04Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.44Å; T58-Q61 PolarHBondContact OG1-N 2.98Å; Q61-Q63 PolarHBondContact O-N 2.93Å; Q61-E64 PolarHBondContact O-N 2.66Å; Q61-M65 WeakPolarHBondContact O-CG 3.36Å; Q61-M65 PolarHBondContact O-N 2.93Å; Q61-K101 HydrophobicContact CG-CB 4.24Å; Q61-K101 WeakPolarHBondContact CG-O 3.28Å; Q61-K101 PolarHBondContact NE2-O 2.84Å; Q61-A102 HydrophobicContact CB-CB 3.96Å; Q61-A102 HydrophobicContact CG-CB 4.4Å; Q61-I105 HydrophobicContact CB-CG1 4.42Å
62	I	98.8	Very high	98.5	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.077	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-44.9	177.8	-71	172.2	0	0	0	110.9	L44 A47 E48 Q51 I57 T58 D59 E64 M65 K66	L44-I62 HydrophobicContact CD1-CG2 3.74Å; A47-I62 HydrophobicContact CB-CG1 4.29Å; E48-I62 HydrophobicContact CG-CD1 4.27Å; E48-I62 HydrophobicContact CG-CG2 3.81Å; Q51-I62 HydrophobicContact CB-CD1 3.94Å; Q51-I62 HydrophobicContact CG-CD1 4.23Å; I57-I62 HydrophobicContact CG2-CD1 3.98Å; I57-I62 HydrophobicContact CG2-CG1 3.88Å; T58-I62 PolarHBondContact O-N 3.13Å; D59-I62 PolarHBondContact O-N 2.86Å; I62-E64 VanDerWaalsContact C-N 3.33Å; I62-E64 PolarHBondContact O-N 2.85Å; I62-M65 PolarHBondContact O-N 3.5Å; I62-K66 WeakPolarHBondContact O-CB 3.27Å; I62-K66 PolarHBondContact O-N 3.36Å
63	Q	98.7	Very high	98.5	Very high	104 Å²	104	58.5 Å²	58.5	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-36.2	179.7	-174.4	56.4	47.8	0	0	112	D59 Q61 K66 S67	D59-Q63 VanDerWaalsContact O-CB 3.23Å; D59-Q63 WeakPolarHBondContact O-CB 3.27Å; D59-Q63 PolarHBondContact O-N 3.36Å; Q61-Q63 PolarHBondContact O-N 2.93Å; Q63-K66 PolarHBondContact O-N 2.94Å; Q63-S67 PolarHBondContact NE2-OG 3.32Å; Q63-S67 WeakPolarHBondContact O-CB 3.29Å; Q63-S67 PolarHBondContact O-N 3.26Å; Q63-S67 PolarHBondContact O-OG 3.32Å
64	E	98.6	Very high	98.3	Very high	35 Å²	35	61.1 Å²	61.1	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-47.1	174.2	-170.6	-179.1	-117.2	0	0	111.3	E60 Q61 I62 K66 S67 N68 C99 P100 K101 A102	E60-E64 VanDerWaalsContact O-CB 3.32Å; E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 PolarHBondContact O-N 3.01Å; Q61-E64 PolarHBondContact O-N 2.66Å; I62-E64 VanDerWaalsContact C-N 3.33Å; I62-E64 PolarHBondContact O-N 2.85Å; E64-K66 PolarHBondContact O-N 3.1Å; E64-S67 PolarHBondContact O-N 2.91Å; E64-N68 PolarHBondContact O-N 3.34Å; E64-N68 PolarHBondContact O-ND2 3.18Å; E64-C99 HydrophobicContact CG-CB 3.86Å; E64-C99 WeakPolarHBondContact OE2-CA 3.4Å; E64-C99 WeakPolarHBondContact OE2-CB 3.43Å; E64-P100 WeakPolarHBondContact OE1-CD 3.38Å; E64-K101 WeakPolarHBondContact OE2-CA 3.47Å; E64-K101 VanDerWaalsContact OE2-CB 3.32Å; E64-K101 WeakPolarHBondContact OE2-CB 3.34Å; E64-K101 PolarHBondContact OE2-N 3.04Å; E64-A102 PolarHBondContact OE2-N 3.22Å
65	M	98.8	Very high	98.3	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-47.4	174.8	-68.3	170.3	72.1	0	0	111.6	W43 L44 A47 Q61 I62 S67 N68 L69 F95 A102 I105 I106	W43-M65 VanDerWaalsContact C-CE 3.46Å; W43-M65 HydrophobicContact CB-CE 3.82Å; W43-M65 WeakPolarHBondContact O-CE 3.47Å; L44-M65 HydrophobicContact CD1-CB 4.13Å; A47-M65 HydrophobicContact CB-CE 4.1Å; A47-M65 HydrophobicContact CB-SD 3.99Å; Q61-M65 WeakPolarHBondContact O-CG 3.36Å; Q61-M65 PolarHBondContact O-N 2.93Å; I62-M65 PolarHBondContact O-N 3.5Å; M65-S67 VanDerWaalsContact C-N 3.3Å; M65-S67 PolarHBondContact O-N 2.78Å; M65-N68 CarbonylContact O-C 3.59Å; M65-N68 PolarHBondContact O-N 2.82Å; M65-N68 VanDerWaalsContact O-N 3.11Å; M65-L69 PolarHBondContact O-N 3.09Å; M65-F95 HydrophobicContact CB-CE1 4.27Å; M65-F95 HydrophobicContact CB-CZ 3.84Å; M65-F95 HydrophobicContact CE-CE1 3.98Å; M65-F95 HydrophobicContact CG-CE1 4.17Å; M65-F95 HydrophobicContact CG-CZ 4.12Å; M65-A102 HydrophobicContact CG-CB 3.51Å; M65-A102 HydrophobicContact SD-CB 3.88Å; M65-I105 HydrophobicContact SD-CD1 3.62Å; M65-I106 HydrophobicContact CE-CG1 4.13Å; M65-I106 HydrophobicContact SD-CG1 4.37Å
66	K	98.7	Very high	98.2	Very high	111 Å²	111	65.9 Å²	65.9	48%	0.483	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-38.1	-179.5	-173.1	173.7	-177.1	174.4	0	112.8	L44 I62 Q63 E64 N68 L69	L44-K66 HydrophobicContact CD1-CB 4.12Å; L44-K66 HydrophobicContact CD2-CB 3.84Å; L44-K66 HydrophobicContact CD2-CD 4.46Å; L44-K66 HydrophobicContact CD2-CG 3.92Å; I62-K66 WeakPolarHBondContact O-CB 3.27Å; I62-K66 PolarHBondContact O-N 3.36Å; Q63-K66 PolarHBondContact O-N 2.94Å; E64-K66 PolarHBondContact O-N 3.1Å; K66-N68 PolarHBondContact O-N 3.06Å; K66-L69 WeakPolarHBondContact O-CG 3.42Å
67	S	98.6	Very high	98.1	Very high	80 Å²	80	60.4 Å²	60.4	56%	0.559	30%	0.304	S	S	*	.	H	α-helix	trans	-71.3	-17.9	179.3	-53.8	0	0	0	0	112.7	Q63 E64 M65	Q63-S67 PolarHBondContact NE2-OG 3.32Å; Q63-S67 WeakPolarHBondContact O-CB 3.29Å; Q63-S67 PolarHBondContact O-N 3.26Å; Q63-S67 PolarHBondContact O-OG 3.32Å; E64-S67 PolarHBondContact O-N 2.91Å; M65-S67 VanDerWaalsContact C-N 3.3Å; M65-S67 PolarHBondContact O-N 2.78Å
68	N	98.8	Very high	97.8	Very high	28 Å²	28	62.7 Å²	62.7	15%	0.15	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	14.7	-175.1	-74.6	-74.7	0	0	0	114.1	R40 E64 M65 K66 E70 N71 F95 C98	R40-N68 PolarHBondContact NH1-O 2.66Å; E64-N68 PolarHBondContact O-N 3.34Å; E64-N68 PolarHBondContact O-ND2 3.18Å; M65-N68 CarbonylContact O-C 3.59Å; M65-N68 PolarHBondContact O-N 2.82Å; M65-N68 VanDerWaalsContact O-N 3.11Å; K66-N68 PolarHBondContact O-N 3.06Å; N68-E70 VanDerWaalsContact C-N 3.26Å; N68-E70 PolarHBondContact O-N 3.32Å; N68-N71 HydrophobicContact CB-CB 4.27Å; N68-N71 PolarHBondContact O-N 3.39Å; N68-N71 PolarHBondContact OD1-ND2 2.65Å; N68-F95 HydrophobicContact CB-CE2 3.89Å; N68-C98 PolarHBondContact ND2-O 3.02Å
69	L	98.5	Very high	97.7	Very high	23 Å²	23	64.5 Å²	64.5	12%	0.12	33%	0.327	C	S	.	.	S	Bend	trans	-57	-38.5	-179.2	-66.3	179.3	0	0	0	113.4	R40 L44 M65 K66	R40-L69 HydrophobicContact CB-CD2 3.75Å; R40-L69 WeakPolarHBondContact CD-O 3.4Å; L44-L69 HydrophobicContact CB-CD2 4.22Å; L44-L69 HydrophobicContact CD2-CD1 3.91Å; L44-L69 HydrophobicContact CD2-CD2 4.16Å; L44-L69 HydrophobicContact CD2-CG 4.41Å; M65-L69 PolarHBondContact O-N 3.09Å; K66-L69 WeakPolarHBondContact O-CG 3.42Å
70	E	97.9	Very high	97.5	Very high	82 Å²	82	60.5 Å²	60.5	38%	0.383	31%	0.305	S	S	.	.	S	Bend	trans	-95.5	-10.4	-178.2	-63.2	-63.4	160.6	0	0	113.9	R33 R37 N68 I72	R33-E70 PolarHBondContact NH1-O 3.21Å; R33-E70 VanDerWaalsContact NH1-O 3.17Å; R33-E70 IonicContact NH1-OE2 3.24Å; R33-E70 PolarHBondContact NH1-OE2 2.69Å; R37-E70 IonicContact CZ-OE1 3.63Å; R37-E70 IonicContact NE-OE1 2.87Å; R37-E70 PolarHBondContact NE-OE1 2.98Å; R37-E70 IonicContact NH2-OE1 3.34Å; R37-E70 PolarHBondContact NH2-OE1 3.43Å; N68-E70 VanDerWaalsContact C-N 3.26Å; N68-E70 PolarHBondContact O-N 3.32Å; E70-I72 VanDerWaalsContact C-N 3.28Å; E70-I72 PolarHBondContact O-N 2.89Å
71	N	98	Very high	97.3	Very high	93 Å²	93	56.2 Å²	56.2	50%	0.497	29%	0.285	S	S	.	.			trans	-82.5	64.3	-175.7	-175.9	23.7	0	0	0	111.9	R40 N68	R40-N71 VanDerWaalsContact NH1-C 3.25Å; R40-N71 PolarHBondContact NH1-O 2.87Å; R40-N71 PolarHBondContact NH2-O 3.14Å; N68-N71 HydrophobicContact CB-CB 4.27Å; N68-N71 PolarHBondContact O-N 3.39Å; N68-N71 PolarHBondContact OD1-ND2 2.65Å
72	I	98.2	Very high	97.1	Very high	13 Å²	13	61.8 Å²	61.8	7%	0.067	31%	0.309	C	S	.	.			trans	-97.7	113.3	-172.8	-55.1	165.9	0	0	0	110.3	F36 R37 E70 F74	F36-I72 HydrophobicContact CB-CD1 3.98Å; R37-I72 HydrophobicContact CB-CD1 3.95Å; E70-I72 VanDerWaalsContact C-N 3.28Å; E70-I72 PolarHBondContact O-N 2.89Å; I72-F74 HydrophobicContact CB-CD2 4.32Å; I72-F74 HydrophobicContact CB-CE2 3.87Å; I72-F74 HydrophobicContact CB-CZ 4.23Å; I72-F74 HydrophobicContact CD1-CZ 4.49Å; I72-F74 HydrophobicContact CG2-CD1 4.33Å; I72-F74 HydrophobicContact CG2-CD2 4Å; I72-F74 HydrophobicContact CG2-CE1 4.19Å; I72-F74 HydrophobicContact CG2-CE2 3.81Å; I72-F74 HydrophobicContact CG2-CG 4.25Å; I72-F74 HydrophobicContact CG2-CZ 3.91Å; I72-F74 WeakPolarHBondContact O-CD2 3.48Å; I72-F74 PolarHBondContact O-N 3.31Å
73	D	97.8	Very high	96.9	Very high	82 Å²	82	68.1 Å²	68.1	44%	0.439	33%	0.332	S	S	.	.			trans	-83	91.8	168.3	-170.5	-19.8	0	0	0	110.2	K75 M76 A77 T94	D73-K75 PolarHBondContact O-N 3.36Å; D73-K75 WeakPolarHBondContact OD1-CB 3.42Å; D73-K75 PolarHBondContact OD1-N 3.3Å; D73-M76 HydrophobicContact CB-CB 4.01Å; D73-M76 PolarHBondContact O-N 2.87Å; D73-M76 PolarHBondContact OD1-N 3.24Å; D73-A77 WeakPolarHBondContact O-CB 3.24Å; D73-A77 PolarHBondContact O-N 3.34Å; D73-T94 HydrophobicContact CB-CG2 4.21Å
74	F	94.9	Very high	96.6	Very high	67 Å²	67	65.7 Å²	65.7	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-28.8	178.1	-69.3	-90.9	0	0	0	113.1	D32 R33 F36 I72 A78	D32-F74 HydrophobicContact CB-CE1 4.02Å; R33-F74 HydrophobicContact CB-CZ 4.2Å; F36-F74 HydrophobicContact CD2-CD1 4.33Å; F36-F74 AromaticContact CD2-CE1 3.74Å; F36-F74 HydrophobicContact CD2-CE1 3.74Å; F36-F74 HydrophobicContact CE2-CE1 4.32Å; I72-F74 HydrophobicContact CB-CD2 4.32Å; I72-F74 HydrophobicContact CB-CE2 3.87Å; I72-F74 HydrophobicContact CB-CZ 4.23Å; I72-F74 HydrophobicContact CD1-CZ 4.49Å; I72-F74 HydrophobicContact CG2-CD1 4.33Å; I72-F74 HydrophobicContact CG2-CD2 4Å; I72-F74 HydrophobicContact CG2-CE1 4.19Å; I72-F74 HydrophobicContact CG2-CE2 3.81Å; I72-F74 HydrophobicContact CG2-CG 4.25Å; I72-F74 HydrophobicContact CG2-CZ 3.91Å; I72-F74 WeakPolarHBondContact O-CD2 3.48Å; I72-F74 PolarHBondContact O-N 3.31Å; F74-A78 WeakPolarHBondContact O-CB 3.48Å; F74-A78 PolarHBondContact O-N 2.9Å
75	K	97.2	Very high	96.2	Very high	150 Å²	150	72.6 Å²	72.6	65%	0.652	35%	0.346	S	S	*	.	H	α-helix	trans	-70.3	-49.2	-179.8	-176.7	-173	171.7	-167	0	109.5	D73 A77 A78 E79	D73-K75 PolarHBondContact O-N 3.36Å; D73-K75 WeakPolarHBondContact OD1-CB 3.42Å; D73-K75 PolarHBondContact OD1-N 3.3Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 3.23Å; K75-A78 PolarHBondContact O-N 3.33Å; K75-E79 WeakPolarHBondContact CE-OE1 3.33Å; K75-E79 WeakPolarHBondContact O-CG 3.43Å; K75-E79 PolarHBondContact O-N 2.95Å
76	M	97.1	Very high	95.9	Very high	34 Å²	34	75.9 Å²	75.9	17%	0.167	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-44.9	174.5	-175.8	-174	-178.2	0	0	111.1	D73 A78 E79 E80 T94 H97	D73-M76 HydrophobicContact CB-CB 4.01Å; D73-M76 PolarHBondContact O-N 2.87Å; D73-M76 PolarHBondContact OD1-N 3.24Å; M76-A78 VanDerWaalsContact C-N 3.32Å; M76-A78 PolarHBondContact O-N 2.97Å; M76-E79 PolarHBondContact O-N 2.86Å; M76-E80 HydrophobicContact CE-CG 4.37Å; M76-E80 HydrophobicContact CG-CG 4.24Å; M76-E80 WeakPolarHBondContact O-CB 2.88Å; M76-E80 WeakPolarHBondContact O-CG 3.21Å; M76-E80 PolarHBondContact O-N 3.23Å; M76-T94 HydrophobicContact CB-CG2 4.23Å; M76-T94 HydrophobicContact CG-CG2 4.31Å; M76-T94 HydrophobicContact SD-CG2 4.02Å; M76-H97 HydrophobicContact CE-CB 3.74Å; M76-H97 HydrophobicContact SD-CB 4.03Å
77	A	96.6	Very high	95.5	Very high	2 Å²	2	73.1 Å²	73.1	2%	0.017	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-42	178.4	0	0	0	0	0	112.4	D73 K75 E80 E81 T94	D73-A77 WeakPolarHBondContact O-CB 3.24Å; D73-A77 PolarHBondContact O-N 3.34Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 3.23Å; A77-E80 PolarHBondContact O-N 2.92Å; A77-E81 WeakPolarHBondContact O-CB 3.37Å; A77-E81 PolarHBondContact O-N 3.43Å; A77-T94 VanDerWaalsContact CA-OG1 3.32Å; A77-T94 WeakPolarHBondContact CA-OG1 3.26Å; A77-T94 HydrophobicContact CB-CG2 4.34Å; A77-T94 PolarHBondContact N-OG1 2.93Å
78	A	92.4	Very high	95.4	Very high	57 Å²	57	69.5 Å²	69.5	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-38.5	176.7	0	0	0	0	0	112.9	F74 K75 M76 E81 K82	F74-A78 WeakPolarHBondContact O-CB 3.48Å; F74-A78 PolarHBondContact O-N 2.9Å; K75-A78 PolarHBondContact O-N 3.33Å; M76-A78 VanDerWaalsContact C-N 3.32Å; M76-A78 PolarHBondContact O-N 2.97Å; A78-E81 PolarHBondContact O-N 3.19Å; A78-K82 WeakPolarHBondContact O-CB 3.31Å; A78-K82 PolarHBondContact O-N 3.33Å
79	E	96.4	Very high	95.3	Very high	113 Å²	113	71.5 Å²	71.5	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-43	174.2	-71.6	172.2	-175.1	0	0	111.3	K75 M76 K82 R83	K75-E79 WeakPolarHBondContact CE-OE1 3.33Å; K75-E79 WeakPolarHBondContact O-CG 3.43Å; K75-E79 PolarHBondContact O-N 2.95Å; M76-E79 PolarHBondContact O-N 2.86Å; E79-K82 PolarHBondContact O-N 3.36Å; E79-R83 PolarHBondContact O-N 3.23Å; E79-R83 VanDerWaalsContact O-N 3.1Å
80	E	95.4	Very high	95.2	Very high	33 Å²	33	70.4 Å²	70.4	15%	0.154	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-40.5	176.1	-72.4	-66.9	-178.3	0	0	112.2	M76 A77 K82 R83 L84 A90	M76-E80 HydrophobicContact CE-CG 4.37Å; M76-E80 HydrophobicContact CG-CG 4.24Å; M76-E80 WeakPolarHBondContact O-CB 2.88Å; M76-E80 WeakPolarHBondContact O-CG 3.21Å; M76-E80 PolarHBondContact O-N 3.23Å; A77-E80 PolarHBondContact O-N 2.92Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 2.68Å; E80-R83 PolarHBondContact O-N 3.36Å; E80-R83 VanDerWaalsContact O-N 3.15Å; E80-R83 IonicContact OE1-NH2 3.63Å; E80-R83 IonicContact OE2-CZ 3.51Å; E80-R83 IonicContact OE2-NE 2.64Å; E80-R83 PolarHBondContact OE2-NE 2.7Å; E80-R83 IonicContact OE2-NH2 3.1Å; E80-R83 PolarHBondContact OE2-NH2 3.39Å; E80-L84 VanDerWaalsContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.32Å; E80-L84 WeakPolarHBondContact O-CG 3.39Å; E80-L84 PolarHBondContact O-N 2.9Å; E80-A90 HydrophobicContact CB-CB 3.67Å
81	E	93.9	Very high	95.3	Very high	30 Å²	30	66.8 Å²	66.8	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-41.2	176.2	-173.6	-176.1	160	0	0	110.9	A77 A78 R83 R85 D87 A90	A77-E81 WeakPolarHBondContact O-CB 3.37Å; A77-E81 PolarHBondContact O-N 3.43Å; A78-E81 PolarHBondContact O-N 3.19Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3.25Å; E81-R85 VanDerWaalsContact O-CA 3.24Å; E81-R85 WeakPolarHBondContact O-CA 3.1Å; E81-R85 PolarHBondContact O-N 3.32Å; E81-D87 HydrophobicContact CG-CB 4.4Å; E81-A90 HydrophobicContact CB-CB 3.83Å; E81-A90 VanDerWaalsContact N-CB 3.28Å
82	K	93.9	Very high	95.3	Very high	146 Å²	146	63.1 Å²	63.1	64%	0.635	29%	0.294	S	S	*	.	H	α-helix	trans	-60.9	-36.8	174.6	-174.6	179.4	179.4	-179	0	112	A78 E79 E80 R85	A78-K82 WeakPolarHBondContact O-CB 3.31Å; A78-K82 PolarHBondContact O-N 3.33Å; E79-K82 PolarHBondContact O-N 3.36Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 2.68Å; K82-R85 WeakPolarHBondContact O-CD 3.12Å; K82-R85 PolarHBondContact O-NE 2.95Å; K82-R85 VanDerWaalsContact O-NE 3.13Å
83	R	95	Very high	95.2	Very high	148 Å²	148	66.5 Å²	66.5	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-74.9	-47.9	179.3	-174	-178.4	69.1	85.3	-4.6	112.2	E79 E80 E81	E79-R83 PolarHBondContact O-N 3.23Å; E79-R83 VanDerWaalsContact O-N 3.1Å; E80-R83 PolarHBondContact O-N 3.36Å; E80-R83 VanDerWaalsContact O-N 3.15Å; E80-R83 IonicContact OE1-NH2 3.63Å; E80-R83 IonicContact OE2-CZ 3.51Å; E80-R83 IonicContact OE2-NE 2.64Å; E80-R83 PolarHBondContact OE2-NE 2.7Å; E80-R83 IonicContact OE2-NH2 3.1Å; E80-R83 PolarHBondContact OE2-NH2 3.39Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3.25Å
84	L	91.7	Very high	95.3	Very high	53 Å²	53	62.7 Å²	62.7	28%	0.277	29%	0.289	S	S	.	.	H	α-helix	trans	-88.9	-18.6	-171.3	-65.5	172.5	0	0	0	113.5	E80 H86 M89 H93	E80-L84 VanDerWaalsContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.32Å; E80-L84 WeakPolarHBondContact O-CG 3.39Å; E80-L84 PolarHBondContact O-N 2.9Å; L84-H86 PolarHBondContact O-N 3.1Å; L84-M89 HydrophobicContact CD1-CB 4.17Å; L84-H93 VanDerWaalsContact CD1-CD2 3.44Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.3Å
85	R	91.6	Very high	95.5	Very high	180 Å²	180	59.5 Å²	59.5	68%	0.679	28%	0.275	S	S	*	.	S	Bend	trans	54.3	31.9	-172.2	-53.4	-59.5	-175.3	163.2	2.1	112.6	E81 K82	E81-R85 VanDerWaalsContact O-CA 3.24Å; E81-R85 WeakPolarHBondContact O-CA 3.1Å; E81-R85 PolarHBondContact O-N 3.32Å; K82-R85 WeakPolarHBondContact O-CD 3.12Å; K82-R85 PolarHBondContact O-NE 2.95Å; K82-R85 VanDerWaalsContact O-NE 3.13Å
86	H	90.7	Very high	95.5	Very high	68 Å²	68	52.9 Å²	52.9	32%	0.315	25%	0.249	S	C	.	.			trans	-151.1	114.1	-179	-166.8	-34	0	0	0	110.4	L84 V88 M89 A90 S112	L84-H86 PolarHBondContact O-N 3.1Å; H86-V88 PolarHBondContact ND1-N 2.82Å; H86-M89 HydrophobicContact CB-CB 4.18Å; H86-M89 HydrophobicContact CB-CG 4.39Å; H86-M89 PolarHBondContact O-N 3.31Å; H86-A90 WeakPolarHBondContact O-CB 3.43Å; H86-A90 PolarHBondContact O-N 2.92Å; H86-S112 PolarHBondContact CE1-OG 3.12Å; H86-S112 PolarHBondContact NE2-OG 2.9Å; H86-S112 VanDerWaalsContact NE2-OG 3.11Å
87	D	91.9	Very high	95.6	Very high	54 Å²	54	57.8 Å²	57.8	29%	0.289	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-48.1	-175.4	64.1	-20.7	0	0	0	113.6	W39 E81 M89 A90 H91	W39-D87 HydrophobicContact CH2-CB 4.49Å; W39-D87 WeakPolarHBondContact CH2-OD2 3.42Å; E81-D87 HydrophobicContact CG-CB 4.4Å; D87-M89 PolarHBondContact O-N 3.21Å; D87-A90 WeakPolarHBondContact O-CB 3.31Å; D87-A90 PolarHBondContact O-N 2.86Å; D87-H91 PolarHBondContact O-CD2 3.28Å; D87-H91 PolarHBondContact O-N 2.91Å
88	V	96.3	Very high	95.7	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-48.3	177.9	179.2	0	0	0	0	111.1	W39 W43 H86 A90 H91 V92 V115	W39-V88 HydrophobicContact CH2-CB 4.4Å; 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 4.2Å; W39-V88 HydrophobicContact CZ3-CG2 3.72Å; W43-V88 HydrophobicContact CH2-CG1 4.48Å; W43-V88 HydrophobicContact CZ2-CG1 3.93Å; H86-V88 PolarHBondContact ND1-N 2.82Å; V88-A90 VanDerWaalsContact C-N 3.31Å; V88-A90 PolarHBondContact O-N 3.04Å; V88-H91 CarbonylContact O-C 3.56Å; V88-H91 PolarHBondContact O-N 3.34Å; V88-H91 VanDerWaalsContact O-N 3.14Å; V88-V92 HydrophobicContact CG1-CG2 4.3Å; V88-V92 WeakPolarHBondContact O-CG2 3.25Å; V88-V92 PolarHBondContact O-N 2.78Å; V88-V115 HydrophobicContact CG1-CG2 3.8Å; V88-V115 HydrophobicContact CG2-CG2 3.93Å
89	M	96	Very high	96	Very high	70 Å²	70	56.4 Å²	56.4	35%	0.345	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-37.9	179.7	-68.1	-52.7	-57	0	0	111.9	L84 H86 D87 H91 V92 H93	L84-M89 HydrophobicContact CD1-CB 4.17Å; H86-M89 HydrophobicContact CB-CB 4.18Å; H86-M89 HydrophobicContact CB-CG 4.39Å; H86-M89 PolarHBondContact O-N 3.31Å; D87-M89 PolarHBondContact O-N 3.21Å; M89-H91 VanDerWaalsContact C-N 3.32Å; M89-H91 PolarHBondContact O-N 2.87Å; M89-V92 PolarHBondContact O-N 3.28Å; M89-H93 PolarHBondContact O-CD2 2.71Å; M89-H93 PolarHBondContact O-N 3.41Å
90	A	97.1	Very high	96	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.2	-47.8	172.1	0	0	0	0	0	111.6	E80 E81 H86 D87 V88 V92 H93 T94	E80-A90 HydrophobicContact CB-CB 3.67Å; E81-A90 HydrophobicContact CB-CB 3.83Å; E81-A90 VanDerWaalsContact N-CB 3.28Å; H86-A90 WeakPolarHBondContact O-CB 3.43Å; H86-A90 PolarHBondContact O-N 2.92Å; D87-A90 WeakPolarHBondContact O-CB 3.31Å; D87-A90 PolarHBondContact O-N 2.86Å; V88-A90 VanDerWaalsContact C-N 3.31Å; V88-A90 PolarHBondContact O-N 3.04Å; A90-V92 PolarHBondContact O-N 3.39Å; A90-H93 PolarHBondContact O-N 3.46Å; A90-T94 PolarHBondContact O-N 3.2Å; A90-T94 PolarHBondContact O-OG1 3.09Å
91	H	98.4	Very high	96.2	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.028	28%	0.278	C	S	.	.	H	α-helix	trans	-69.3	-30.5	177.3	-84.1	-91.4	0	0	0	114.2	F36 W39 W43 D87 V88 M89 F95	F36-H91 AromaticContact CD1-CD2 3.8Å; F36-H91 AromaticContact CD1-CE1 3.3Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.2Å; F36-H91 AromaticContact CD1-CG 3.87Å; F36-H91 AromaticContact CD1-ND1 3.58Å; F36-H91 AromaticContact CD1-NE2 3.44Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.45Å; F36-H91 AromaticContact CD2-CE1 3.54Å; F36-H91 AromaticContact CD2-NE2 3.85Å; F36-H91 AromaticContact CE1-CD2 3.55Å; F36-H91 AromaticContact CE1-CE1 3.61Å; F36-H91 AromaticContact CE1-NE2 3.21Å; F36-H91 WeakPolarHBondContact CE1-NE2 2.88Å; F36-H91 AromaticContact CE2-CE1 3.83Å; F36-H91 AromaticContact CE2-NE2 3.65Å; F36-H91 AromaticContact CG-CE1 3.26Å; F36-H91 WeakPolarHBondContact CG-CE1 3.48Å; F36-H91 AromaticContact CG-ND1 3.77Å; F36-H91 AromaticContact CG-NE2 3.76Å; F36-H91 AromaticContact CZ-CE1 3.86Å; F36-H91 AromaticContact CZ-NE2 3.32Å; F36-H91 VanDerWaalsContact CZ-NE2 3.32Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.47Å; W39-H91 HydrophobicContact CE3-CB 3.96Å; W39-H91 HydrophobicContact CZ3-CB 4.06Å; W43-H91 HydrophobicContact CH2-CB 4.04Å; W43-H91 HydrophobicContact CZ3-CB 4.38Å; D87-H91 PolarHBondContact O-CD2 3.28Å; D87-H91 PolarHBondContact O-N 2.91Å; V88-H91 CarbonylContact O-C 3.56Å; V88-H91 PolarHBondContact O-N 3.34Å; V88-H91 VanDerWaalsContact O-N 3.14Å; M89-H91 VanDerWaalsContact C-N 3.32Å; M89-H91 PolarHBondContact O-N 2.87Å; H91-F95 VanDerWaalsContact O-CB 3.24Å; H91-F95 WeakPolarHBondContact O-CB 3.3Å; H91-F95 PolarHBondContact O-N 2.78Å
92	V	98.3	Very high	96.4	Very high	17 Å²	17	58 Å²	58	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-47.7	170.6	170	0	0	0	0	109.8	W43 V88 M89 A90 F95 G96 I106 H107	W43-V92 HydrophobicContact CH2-CG2 3.76Å; W43-V92 HydrophobicContact CZ2-CG2 3.42Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.42Å; V88-V92 HydrophobicContact CG1-CG2 4.3Å; V88-V92 WeakPolarHBondContact O-CG2 3.25Å; V88-V92 PolarHBondContact O-N 2.78Å; M89-V92 PolarHBondContact O-N 3.28Å; A90-V92 PolarHBondContact O-N 3.39Å; V92-F95 PolarHBondContact O-N 3.14Å; V92-G96 PolarHBondContact O-N 3.06Å; V92-I106 HydrophobicContact CB-CG2 4.49Å; V92-I106 HydrophobicContact CG1-CG2 4.03Å; V92-I106 HydrophobicContact CG2-CG2 4.25Å; V92-H107 HydrophobicContact CG2-CB 3.91Å
93	H	97.8	Very high	96.6	Very high	84 Å²	84	53 Å²	53	39%	0.389	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-46.8	176.8	-79.9	-75	0	0	0	112.4	L84 M89 A90 F95 G96 H97	L84-H93 VanDerWaalsContact CD1-CD2 3.44Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.3Å; M89-H93 PolarHBondContact O-CD2 2.71Å; M89-H93 PolarHBondContact O-N 3.41Å; A90-H93 PolarHBondContact O-N 3.46Å; H93-F95 VanDerWaalsContact C-N 3.3Å; H93-F95 PolarHBondContact O-N 3.37Å; H93-G96 PolarHBondContact O-N 3.49Å; H93-H97 PolarHBondContact O-N 2.71Å
94	T	98.5	Very high	96.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-37.7	177.2	-56	0	0	0	0	112	D73 M76 A77 A90	D73-T94 HydrophobicContact CB-CG2 4.21Å; M76-T94 HydrophobicContact CB-CG2 4.23Å; M76-T94 HydrophobicContact CG-CG2 4.31Å; M76-T94 HydrophobicContact SD-CG2 4.02Å; A77-T94 VanDerWaalsContact CA-OG1 3.32Å; A77-T94 WeakPolarHBondContact CA-OG1 3.26Å; A77-T94 HydrophobicContact CB-CG2 4.34Å; A77-T94 PolarHBondContact N-OG1 2.93Å; A90-T94 PolarHBondContact O-N 3.2Å; A90-T94 PolarHBondContact O-OG1 3.09Å
95	F	98.8	Very high	97.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72.8	-41.8	177.2	-166.6	-150.3	0	0	0	111.7	R40 W43 M65 N68 H91 V92 H93 H97 C98 C99 I106	R40-F95 HydrophobicContact CB-CD1 4.48Å; R40-F95 HydrophobicContact CB-CE1 4Å; R40-F95 HydrophobicContact CB-CE2 4.41Å; R40-F95 HydrophobicContact CB-CZ 3.96Å; R40-F95 HydrophobicContact CG-CD1 3.89Å; R40-F95 HydrophobicContact CG-CD2 4.03Å; R40-F95 HydrophobicContact CG-CE1 3.9Å; R40-F95 HydrophobicContact CG-CE2 4.03Å; R40-F95 HydrophobicContact CG-CG 3.97Å; R40-F95 HydrophobicContact CG-CZ 3.96Å; W43-F95 HydrophobicContact CB-CE1 4.5Å; W43-F95 AromaticContact CE3-CD1 3.82Å; W43-F95 HydrophobicContact CE3-CD1 3.82Å; W43-F95 HydrophobicContact CE3-CE1 4.34Å; W43-F95 HydrophobicContact CZ3-CD1 4.39Å; M65-F95 HydrophobicContact CB-CE1 4.27Å; M65-F95 HydrophobicContact CB-CZ 3.84Å; M65-F95 HydrophobicContact CE-CE1 3.98Å; M65-F95 HydrophobicContact CG-CE1 4.17Å; M65-F95 HydrophobicContact CG-CZ 4.12Å; N68-F95 HydrophobicContact CB-CE2 3.89Å; H91-F95 VanDerWaalsContact O-CB 3.24Å; H91-F95 WeakPolarHBondContact O-CB 3.3Å; H91-F95 PolarHBondContact O-N 2.78Å; V92-F95 PolarHBondContact O-N 3.14Å; H93-F95 VanDerWaalsContact C-N 3.3Å; H93-F95 PolarHBondContact O-N 3.37Å; F95-H97 VanDerWaalsContact C-N 3.26Å; F95-H97 PolarHBondContact O-N 2.64Å; F95-C98 PolarHBondContact O-N 2.74Å; F95-C98 PolarHBondContact O-SG 3.13Å; F95-C99 WeakPolarHBondContact CE2-SG 3.48Å; F95-C99 WeakPolarHBondContact O-CB 3.23Å; F95-C99 PolarHBondContact O-N 3.13Å; F95-I106 HydrophobicContact CB-CD1 4.23Å; F95-I106 HydrophobicContact CD1-CD1 3.63Å; F95-I106 HydrophobicContact CD1-CG1 4.2Å; F95-I106 HydrophobicContact CD1-CG2 4.24Å; F95-I106 HydrophobicContact CE1-CD1 4.24Å; F95-I106 HydrophobicContact CG-CD1 4.01Å
96	G	98.5	Very high	97.4	Very high	10 Å²	10	39.7 Å²	39.7	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-31.2	173.2	0	0	0	0	0	113.5	V92 H93 C99 P100	V92-G96 PolarHBondContact O-N 3.06Å; H93-G96 PolarHBondContact O-N 3.49Å; G96-C99 CarbonylContact O-C 3.57Å; G96-C99 PolarHBondContact O-N 3.41Å; G96-P100 WeakPolarHBondContact O-CA 3.16Å
97	H	98.5	Very high	97.8	Very high	137 Å²	137	37.7 Å²	37.7	63%	0.634	22%	0.218	S	C	*	.	H	α-helix	trans	-64.6	-41.6	175.6	-179.3	-90	0	0	0	112.9	M76 H93 F95 C99	M76-H97 HydrophobicContact CE-CB 3.74Å; M76-H97 HydrophobicContact SD-CB 4.03Å; H93-H97 PolarHBondContact O-N 2.71Å; F95-H97 VanDerWaalsContact C-N 3.26Å; F95-H97 PolarHBondContact O-N 2.64Å; H97-C99 VanDerWaalsContact C-N 3.35Å
98	C	98.1	Very high	98	Very high	31 Å²	31	37.4 Å²	37.4	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-85.5	-8.3	174.7	61.5	0	0	0	0	113.7	N68 F95	N68-C98 PolarHBondContact ND2-O 3.02Å; F95-C98 PolarHBondContact O-N 2.74Å; F95-C98 PolarHBondContact O-SG 3.13Å
99	C	98.4	Very high	98	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.225	C	C	.	.			trans	-129.5	66.2	176.3	-53.3	0	0	0	0	111	E64 F95 G96 H97 K101 A102 A103	E64-C99 HydrophobicContact CG-CB 3.86Å; E64-C99 WeakPolarHBondContact OE2-CA 3.4Å; E64-C99 WeakPolarHBondContact OE2-CB 3.43Å; F95-C99 WeakPolarHBondContact CE2-SG 3.48Å; F95-C99 WeakPolarHBondContact O-CB 3.23Å; F95-C99 PolarHBondContact O-N 3.13Å; G96-C99 CarbonylContact O-C 3.57Å; G96-C99 PolarHBondContact O-N 3.41Å; H97-C99 VanDerWaalsContact C-N 3.35Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 3.13Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.47Å; C99-A102 PolarHBondContact O-N 2.89Å; C99-A102 VanDerWaalsContact O-N 3.13Å; C99-A103 PolarHBondContact O-N 3Å
100	P	98.4	Very high	98.1	Very high	93 Å²	93	35.7 Å²	35.7	60%	0.604	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.5	-172.1	25.3	-35.7	0	0	0	113.7	E64 G96	E64-P100 WeakPolarHBondContact OE1-CD 3.38Å; G96-P100 WeakPolarHBondContact O-CA 3.16Å
101	K	98.4	Very high	98	Very high	115 Å²	115	36.4 Å²	36.4	50%	0.5	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-39.5	175.9	-60.3	179.3	174	-171.5	0	110.7	E60 Q61 E64 C99	E60-K101 IonicContact OE2-NZ 2.73Å; E60-K101 PolarHBondContact OE2-NZ 3.49Å; Q61-K101 HydrophobicContact CG-CB 4.24Å; Q61-K101 WeakPolarHBondContact CG-O 3.28Å; Q61-K101 PolarHBondContact NE2-O 2.84Å; E64-K101 WeakPolarHBondContact OE2-CA 3.47Å; E64-K101 VanDerWaalsContact OE2-CB 3.32Å; E64-K101 WeakPolarHBondContact OE2-CB 3.34Å; E64-K101 PolarHBondContact OE2-N 3.04Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 3.13Å
102	A	98.5	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.6	-179.5	0	0	0	0	0	114.1	Q61 E64 M65 C99 G104 I105 I106	Q61-A102 HydrophobicContact CB-CB 3.96Å; Q61-A102 HydrophobicContact CG-CB 4.4Å; E64-A102 PolarHBondContact OE2-N 3.22Å; M65-A102 HydrophobicContact CG-CB 3.51Å; M65-A102 HydrophobicContact SD-CB 3.88Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.47Å; C99-A102 PolarHBondContact O-N 2.89Å; C99-A102 VanDerWaalsContact O-N 3.13Å; A102-G104 PolarHBondContact O-N 3.14Å; A102-I105 HydrophobicContact CB-CD1 4.03Å; A102-I105 HydrophobicContact CB-CG1 4.47Å; A102-I105 WeakPolarHBondContact O-CD1 3.39Å; A102-I105 VanDerWaalsContact O-CG1 3.32Å; A102-I105 WeakPolarHBondContact O-CG1 3.21Å; A102-I105 PolarHBondContact O-N 3.43Å; A102-I106 HydrophobicContact CB-CG1 4.48Å; A102-I106 WeakPolarHBondContact O-CG1 3.48Å; A102-I106 PolarHBondContact O-N 3.28Å
103	A	98.1	Very high	97.9	Very high	42 Å²	42	37.1 Å²	37.1	35%	0.347	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-39.2	-171.8	0	0	0	0	0	114.3	C99 I105	C99-A103 PolarHBondContact O-N 3Å; A103-I105 VanDerWaalsContact C-N 3.34Å; A103-I105 PolarHBondContact O-N 3.42Å
104	G	97.7	Very high	97.9	Very high	71 Å²	71	33.1 Å²	33.1	73%	0.732	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.3	-179.6	0	0	0	0	0	115.5	A102	A102-G104 PolarHBondContact O-N 3.14Å
105	I	98.5	Very high	97.9	Very high	19 Å²	19	33 Å²	33	10%	0.097	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-6.9	-178.4	61.6	69.1	0	0	0	113.2	A47 I57 Q61 M65 A102 A103 H107 L108	A47-I105 HydrophobicContact CB-CD1 4.17Å; I57-I105 HydrophobicContact CG1-CB 4.37Å; I57-I105 HydrophobicContact CG1-CG2 4.29Å; I57-I105 HydrophobicContact CG2-CG1 4.49Å; Q61-I105 HydrophobicContact CB-CG1 4.42Å; M65-I105 HydrophobicContact SD-CD1 3.62Å; A102-I105 HydrophobicContact CB-CD1 4.03Å; A102-I105 HydrophobicContact CB-CG1 4.47Å; A102-I105 WeakPolarHBondContact O-CD1 3.39Å; A102-I105 VanDerWaalsContact O-CG1 3.32Å; A102-I105 WeakPolarHBondContact O-CG1 3.21Å; A102-I105 PolarHBondContact O-N 3.43Å; A103-I105 VanDerWaalsContact C-N 3.34Å; A103-I105 PolarHBondContact O-N 3.42Å; I105-H107 PolarHBondContact O-N 3.17Å; I105-L108 WeakPolarHBondContact O-CB 3.4Å; I105-L108 PolarHBondContact O-N 2.99Å
106	I	98.5	Very high	97.9	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.062	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	130.2	175.2	-67.4	166	0	0	0	108.7	W43 M65 V92 F95 A102 L108	W43-I106 HydrophobicContact CD2-CG2 3.93Å; W43-I106 HydrophobicContact CE3-CG2 4.23Å; W43-I106 HydrophobicContact CG-CG2 4.06Å; M65-I106 HydrophobicContact CE-CG1 4.13Å; M65-I106 HydrophobicContact SD-CG1 4.37Å; V92-I106 HydrophobicContact CB-CG2 4.49Å; V92-I106 HydrophobicContact CG1-CG2 4.03Å; V92-I106 HydrophobicContact CG2-CG2 4.25Å; F95-I106 HydrophobicContact CB-CD1 4.23Å; F95-I106 HydrophobicContact CD1-CD1 3.63Å; F95-I106 HydrophobicContact CD1-CG1 4.2Å; F95-I106 HydrophobicContact CD1-CG2 4.24Å; F95-I106 HydrophobicContact CE1-CD1 4.24Å; F95-I106 HydrophobicContact CG-CD1 4.01Å; A102-I106 HydrophobicContact CB-CG1 4.48Å; A102-I106 WeakPolarHBondContact O-CG1 3.48Å; A102-I106 PolarHBondContact O-N 3.28Å; I106-L108 PolarHBondContact O-N 2.89Å
107	H	98.4	Very high	97.9	Very high	25 Å²	25	33.4 Å²	33.4	12%	0.116	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	17.9	179.1	-155	94.1	0	0	0	114.3	W43 V92 I105 G109 A110 T111	W43-H107 AromaticContact CE2-ND1 3.61Å; W43-H107 AromaticContact CZ2-ND1 3.71Å; W43-H107 AromaticContact NE1-CG 3.59Å; W43-H107 AromaticContact NE1-ND1 2.95Å; W43-H107 PolarHBondContact NE1-ND1 3.41Å; V92-H107 HydrophobicContact CG2-CB 3.91Å; I105-H107 PolarHBondContact O-N 3.17Å; H107-G109 PolarHBondContact O-N 3.4Å; H107-A110 PolarHBondContact NE2-O 2.95Å; H107-A110 PolarHBondContact O-N 3.17Å; H107-A110 VanDerWaalsContact O-N 3.14Å; H107-T111 PolarHBondContact CE1-O 2.66Å; H107-T111 WeakPolarHBondContact NE2-CA 3.24Å; H107-T111 PolarHBondContact NE2-N 3.44Å; H107-T111 PolarHBondContact NE2-O 3.26Å
108	L	97.9	Very high	97.9	Very high	49 Å²	49	26.9 Å²	26.9	26%	0.257	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	128.2	178.8	-173.5	62.5	0	0	0	111.1	L55 I105 I106 A110 L211	L55-L108 HydrophobicContact CD1-CD2 4.33Å; I105-L108 WeakPolarHBondContact O-CB 3.4Å; I105-L108 PolarHBondContact O-N 2.99Å; I106-L108 PolarHBondContact O-N 2.89Å; L108-A110 PolarHBondContact O-N 3Å; L108-L211 HydrophobicContact CD1-CD1 4.48Å; L108-L211 HydrophobicContact CD1-CD2 4.09Å; L108-L211 HydrophobicContact CG-CD1 3.97Å; L108-L211 HydrophobicContact CG-CD2 4.22Å
109	G	95.6	Very high	97.9	Very high	18 Å²	18	25.4 Å²	25.4	19%	0.186	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-12	-179.8	0	0	0	0	0	116.6	H107 S207 F208	H107-G109 PolarHBondContact O-N 3.4Å; G109-S207 VanDerWaalsContact O-CB 3.29Å; G109-S207 WeakPolarHBondContact O-CB 3.36Å; G109-S207 PolarHBondContact O-OG 2.85Å; G109-F208 VanDerWaalsContact C-CZ 3.4Å; G109-F208 VanDerWaalsContact O-CE2 3.27Å; G109-F208 WeakPolarHBondContact O-CE2 3.49Å; G109-F208 VanDerWaalsContact O-CZ 3.28Å; G109-F208 WeakPolarHBondContact O-CZ 3.5Å
110	A	97.4	Very high	97.8	Very high	18 Å²	18	26 Å²	26	15%	0.149	17%	0.174	C	C	.	.			trans	-82.8	173.7	-174.4	0	0	0	0	0	112.9	L46 H107 L108 Y114 F208	L46-A110 HydrophobicContact CD2-CB 3.97Å; H107-A110 PolarHBondContact NE2-O 2.95Å; H107-A110 PolarHBondContact O-N 3.17Å; H107-A110 VanDerWaalsContact O-N 3.14Å; L108-A110 PolarHBondContact O-N 3Å; A110-Y114 HydrophobicContact CB-CD1 4.09Å; A110-Y114 HydrophobicContact CB-CG 4.1Å; A110-F208 HydrophobicContact CB-CZ 4.07Å
111	T	96.4	Very high	97.8	Very high	16 Å²	16	21.6 Å²	21.6	10%	0.098	15%	0.145	C	C	.	.			trans	-126.4	165.9	170.2	-175.7	0	0	0	0	108.8	H107 C113 Y114 G200	H107-T111 PolarHBondContact CE1-O 2.66Å; H107-T111 WeakPolarHBondContact NE2-CA 3.24Å; H107-T111 PolarHBondContact NE2-N 3.44Å; H107-T111 PolarHBondContact NE2-O 3.26Å; T111-C113 HydrophobicContact CG2-CB 4.2Å; T111-C113 PolarHBondContact O-N 2.53Å; T111-Y114 WeakPolarHBondContact O-CB 3.47Å; T111-Y114 PolarHBondContact O-N 2.89Å; T111-G200 VanDerWaalsContact CG2-O 3.26Å; T111-G200 WeakPolarHBondContact CG2-O 3.46Å
112	S	96	Very high	97.9	Very high	31 Å²	31	16.5 Å²	16.5	22%	0.217	12%	0.123	C	C	.	.	H	α-helix	trans	-49	-38	178.8	-55.2	0	0	0	0	113.5	H86 Y114 V115 G116	H86-S112 PolarHBondContact CE1-OG 3.12Å; H86-S112 PolarHBondContact NE2-OG 2.9Å; H86-S112 VanDerWaalsContact NE2-OG 3.11Å; S112-Y114 PolarHBondContact O-N 3.14Å; S112-V115 WeakPolarHBondContact O-CG2 3.49Å; S112-V115 PolarHBondContact O-N 2.79Å; S112-G116 PolarHBondContact O-N 3.39Å
113	C	97.7	Very high	97.7	Very high	6 Å²	6	16.5 Å²	16.5	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-70.6	-13.5	177.3	-66.7	0	0	0	0	114.3	T111 V115 D117 Q241 R329	T111-C113 HydrophobicContact CG2-CB 4.2Å; T111-C113 PolarHBondContact O-N 2.53Å; C113-V115 VanDerWaalsContact C-N 3.34Å; C113-D117 HydrophobicContact CB-CB 4.35Å; C113-D117 WeakPolarHBondContact O-CB 2.93Å; C113-D117 PolarHBondContact O-N 2.96Å; C113-Q241 HydrophobicContact CB-CG 4.25Å; C113-Q241 WeakPolarHBondContact CB-O 3.38Å; C113-R329 PolarHBondContact SG-NH1 3.25Å
114	Y	98.8	Very high	97.4	Very high	1 Å²	1	15 Å²	15	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-44	170.1	174.2	-109.3	0	0	0	111.1	L42 L46 A110 T111 S112 N118 V198	L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 WeakPolarHBondContact O-CE1 3.37Å; L42-Y114 PolarHBondContact O-OH 3.48Å; L46-Y114 HydrophobicContact CB-CE1 3.89Å; L46-Y114 HydrophobicContact CD2-CD1 4.2Å; L46-Y114 HydrophobicContact CD2-CE1 3.88Å; L46-Y114 HydrophobicContact CG-CE1 4.33Å; A110-Y114 HydrophobicContact CB-CD1 4.09Å; A110-Y114 HydrophobicContact CB-CG 4.1Å; T111-Y114 WeakPolarHBondContact O-CB 3.47Å; T111-Y114 PolarHBondContact O-N 2.89Å; S112-Y114 PolarHBondContact O-N 3.14Å; Y114-N118 WeakPolarHBondContact CD2-ND2 3.32Å; Y114-N118 VanDerWaalsContact O-CB 3.23Å; Y114-N118 WeakPolarHBondContact O-CB 3.44Å; Y114-N118 PolarHBondContact O-ND2 2.9Å; Y114-V198 HydrophobicContact CD2-CG1 3.89Å; Y114-V198 HydrophobicContact CE2-CG1 3.71Å
115	V	98.4	Very high	97.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-89.8	-39.8	177.5	-66.8	0	0	0	0	112.6	W39 L42 W43 V88 S112 C113 T119	W39-V115 HydrophobicContact CB-CB 4.04Å; W39-V115 HydrophobicContact CB-CG1 4.27Å; W39-V115 HydrophobicContact CD2-CB 3.94Å; W39-V115 HydrophobicContact CD2-CG2 3.7Å; W39-V115 HydrophobicContact CE3-CG2 4Å; W39-V115 HydrophobicContact CG-CB 3.68Å; W39-V115 HydrophobicContact CG-CG1 4.43Å; W39-V115 HydrophobicContact CG-CG2 4.01Å; W39-V115 HydrophobicContact CZ2-CG2 4.35Å; W39-V115 HydrophobicContact CZ3-CG2 4.49Å; W39-V115 PolarHBondContact NE1-O 2.7Å; L42-V115 HydrophobicContact CB-CG1 4.15Å; L42-V115 HydrophobicContact CD1-CB 4.48Å; W43-V115 HydrophobicContact CD2-CG1 3.98Å; W43-V115 VanDerWaalsContact CE2-CG1 3.45Å; W43-V115 HydrophobicContact CG-CG1 4.24Å; W43-V115 HydrophobicContact CZ2-CB 4.43Å; W43-V115 HydrophobicContact CZ2-CG1 3.8Å; W43-V115 HydrophobicContact CZ2-CG2 3.92Å; V88-V115 HydrophobicContact CG1-CG2 3.8Å; V88-V115 HydrophobicContact CG2-CG2 3.93Å; S112-V115 WeakPolarHBondContact O-CG2 3.49Å; S112-V115 PolarHBondContact O-N 2.79Å; C113-V115 VanDerWaalsContact C-N 3.34Å; V115-T119 WeakPolarHBondContact O-CB 3.38Å; V115-T119 PolarHBondContact O-N 2.76Å; V115-T119 VanDerWaalsContact O-N 3.16Å; V115-T119 PolarHBondContact O-OG1 3.48Å
116	G	97.1	Very high	97.1	Very high	15 Å²	15	14.2 Å²	14.2	16%	0.155	9%	0.085	C	C	.	.	H	α-helix	trans	-61.5	-66.3	180	0	0	0	0	0	112.4	S112 N118 T119 D120	S112-G116 PolarHBondContact O-N 3.39Å; G116-N118 PolarHBondContact O-N 2.83Å; G116-T119 PolarHBondContact O-N 3.11Å; G116-D120 VanDerWaalsContact O-CG 3.28Å; G116-D120 PolarHBondContact O-N 3.03Å
117	D	98.4	Very high	96.7	Very high	3 Å²	3	14 Å²	14	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-68.3	-37	-172.1	-94.4	44	0	0	0	113.3	C113 T119 D120 L121 T242 Y243 R245 R329	C113-D117 HydrophobicContact CB-CB 4.35Å; C113-D117 WeakPolarHBondContact O-CB 2.93Å; C113-D117 PolarHBondContact O-N 2.96Å; D117-T119 VanDerWaalsContact C-N 3.34Å; D117-D120 PolarHBondContact O-N 3.47Å; D117-L121 WeakPolarHBondContact O-CG 3.05Å; D117-L121 PolarHBondContact O-N 3.47Å; D117-T242 WeakPolarHBondContact OD2-CA 3.44Å; D117-T242 WeakPolarHBondContact OD2-CB 3.35Å; D117-Y243 HydrophobicContact CB-CD1 3.81Å; D117-Y243 HydrophobicContact CB-CE1 4.13Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.42Å; D117-Y243 PolarHBondContact OD2-N 3.33Å; D117-R245 IonicContact OD1-CZ 3.84Å; D117-R245 IonicContact OD1-NH1 2.79Å; D117-R245 PolarHBondContact OD1-NH1 2.7Å; D117-R245 IonicContact OD1-NH2 2.53Å; D117-R245 PolarHBondContact OD1-NH2 3.15Å; D117-R245 IonicContact OD2-CZ 3.42Å; D117-R245 IonicContact OD2-NH1 3.06Å; D117-R245 PolarHBondContact OD2-NH1 2.95Å; D117-R245 IonicContact OD2-NH2 3.34Å; D117-R329 IonicContact OD1-NH1 3.52Å
118	N	98.8	Very high	96.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-68.4	-34.6	175.6	-75.1	-47.7	0	0	0	112	L42 Y114 G116 L121 I122 F195 R196 G197	L42-N118 HydrophobicContact CD1-CB 3.88Å; L42-N118 HydrophobicContact CD2-CB 3.98Å; Y114-N118 WeakPolarHBondContact CD2-ND2 3.32Å; Y114-N118 VanDerWaalsContact O-CB 3.23Å; Y114-N118 WeakPolarHBondContact O-CB 3.44Å; Y114-N118 PolarHBondContact O-ND2 2.9Å; G116-N118 PolarHBondContact O-N 2.83Å; N118-L121 PolarHBondContact O-N 3.24Å; N118-I122 VanDerWaalsContact O-CG1 3.3Å; N118-I122 WeakPolarHBondContact O-CG1 3.2Å; N118-I122 PolarHBondContact O-N 3.32Å; N118-F195 HydrophobicContact CB-CD2 4.42Å; N118-F195 HydrophobicContact CB-CE1 4.26Å; N118-F195 HydrophobicContact CB-CE2 3.51Å; N118-F195 HydrophobicContact CB-CZ 3.43Å; N118-F195 VanDerWaalsContact CB-CZ 3.43Å; N118-F195 WeakPolarHBondContact OD1-CD1 3.24Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.37Å; N118-F195 VanDerWaalsContact OD1-CE1 3.31Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.5Å; N118-F195 VanDerWaalsContact OD1-CE2 3.25Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.32Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.4Å; N118-R196 VanDerWaalsContact OD1-CB 3.3Å; N118-R196 WeakPolarHBondContact OD1-CB 3.46Å; N118-R196 PolarHBondContact OD1-N 3.46Å; N118-G197 PolarHBondContact ND2-O 3.39Å; N118-G197 VanDerWaalsContact ND2-O 3.09Å; N118-G197 PolarHBondContact OD1-N 3.45Å
119	T	98.7	Very high	95.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66	-43.9	173.4	-63.9	0	0	0	0	110.8	K35 T38 L42 V115 G116 D117 L121 I122 I123	K35-T119 HydrophobicContact CG-CG2 4.19Å; T38-T119 HydrophobicContact CG2-CG2 3.86Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.48Å; V115-T119 WeakPolarHBondContact O-CB 3.38Å; V115-T119 PolarHBondContact O-N 2.76Å; V115-T119 VanDerWaalsContact O-N 3.16Å; V115-T119 PolarHBondContact O-OG1 3.48Å; G116-T119 PolarHBondContact O-N 3.11Å; D117-T119 VanDerWaalsContact C-N 3.34Å; T119-L121 VanDerWaalsContact C-N 3.29Å; T119-L121 PolarHBondContact O-N 2.98Å; T119-I122 WeakPolarHBondContact O-CB 3.47Å; T119-I122 PolarHBondContact O-N 3.44Å; T119-I122 VanDerWaalsContact O-N 3.1Å; T119-I123 HydrophobicContact CG2-CD1 3.77Å; T119-I123 HydrophobicContact CG2-CG1 4.27Å; T119-I123 WeakPolarHBondContact O-CB 3.34Å; T119-I123 WeakPolarHBondContact O-CG1 3.37Å; T119-I123 PolarHBondContact O-N 3.26Å
120	D	97.4	Very high	95.4	Very high	13 Å²	13	14.6 Å²	14.6	7%	0.07	9%	0.085	C	C	.	.	H	α-helix	trans	-57.5	-43.5	176.3	-65.2	-14.7	0	0	0	110.7	G116 D117 I122 I123 L124 Y243 R337 H343	G116-D120 VanDerWaalsContact O-CG 3.28Å; G116-D120 PolarHBondContact O-N 3.03Å; D117-D120 PolarHBondContact O-N 3.47Å; D120-I122 PolarHBondContact O-N 3.02Å; D120-I123 WeakPolarHBondContact O-CB 3.43Å; D120-I123 PolarHBondContact O-N 2.84Å; D120-L124 WeakPolarHBondContact O-CB 3.35Å; D120-L124 VanDerWaalsContact O-CG 3.24Å; D120-L124 WeakPolarHBondContact O-CG 3.26Å; D120-L124 PolarHBondContact O-N 3.26Å; D120-Y243 HydrophobicContact CB-CE1 4.4Å; D120-R337 IonicContact OD2-CZ 2.76Å; D120-R337 IonicContact OD2-NH1 3.95Å; D120-R337 PolarHBondContact OD2-NH1 3.28Å; D120-R337 IonicContact OD2-NH2 2.79Å; D120-R337 PolarHBondContact OD2-NH2 3.32Å; D120-H343 IonicContact OD1-CE1 3.01Å; D120-H343 PolarHBondContact OD1-CE1 2.94Å; D120-H343 IonicContact OD1-NE2 3.21Å; D120-H343 PolarHBondContact OD1-NE2 3.46Å
121	L	98.3	Very high	94.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-38.3	175.9	-69	165.8	0	0	0	113	D117 N118 T119 R125 L193 R194 R196 F232 Y243 V247	D117-L121 WeakPolarHBondContact O-CG 3.05Å; D117-L121 PolarHBondContact O-N 3.47Å; N118-L121 PolarHBondContact O-N 3.24Å; T119-L121 VanDerWaalsContact C-N 3.29Å; T119-L121 PolarHBondContact O-N 2.98Å; L121-R125 WeakPolarHBondContact O-CB 3.33Å; L121-R125 PolarHBondContact O-N 3.46Å; L121-L193 HydrophobicContact CD2-CD1 3.98Å; L121-L193 HydrophobicContact CD2-CD2 4.37Å; L121-L193 HydrophobicContact CD2-CG 4.15Å; L121-R194 WeakPolarHBondContact CD1-O 3.49Å; L121-R196 HydrophobicContact CD1-CB 4.07Å; L121-F232 HydrophobicContact CB-CZ 4.16Å; L121-Y243 HydrophobicContact CD1-CD1 3.73Å; L121-Y243 HydrophobicContact CD1-CE1 4.36Å; L121-Y243 HydrophobicContact CD1-CG 4.16Å; L121-Y243 HydrophobicContact CD2-CD1 3.98Å; L121-Y243 HydrophobicContact CD2-CD2 4.35Å; L121-Y243 HydrophobicContact CD2-CE1 4.05Å; L121-Y243 HydrophobicContact CD2-CE2 4.44Å; L121-Y243 HydrophobicContact CD2-CG 4.14Å; L121-Y243 HydrophobicContact CG-CD1 3.75Å; L121-Y243 HydrophobicContact CG-CE1 3.87Å; L121-Y243 HydrophobicContact CG-CG 4.33Å; L121-V247 HydrophobicContact CD2-CG1 4.49Å
122	I	98.6	Very high	94.4	Very high	8 Å²	8	14.3 Å²	14.3	4%	0.041	8%	0.08	C	C	.	.	H	α-helix	trans	-64.2	-44.5	173.9	-70.4	163.7	0	0	0	110.4	T38 L42 W45 N118 T119 D120 R125 N126 F195 F232	T38-I122 HydrophobicContact CG2-CD1 3.77Å; T38-I122 HydrophobicContact CG2-CG2 4.38Å; L42-I122 HydrophobicContact CD2-CD1 4.26Å; W45-I122 HydrophobicContact CZ3-CD1 4.27Å; N118-I122 VanDerWaalsContact O-CG1 3.3Å; N118-I122 WeakPolarHBondContact O-CG1 3.2Å; N118-I122 PolarHBondContact O-N 3.32Å; T119-I122 WeakPolarHBondContact O-CB 3.47Å; T119-I122 PolarHBondContact O-N 3.44Å; T119-I122 VanDerWaalsContact O-N 3.1Å; D120-I122 PolarHBondContact O-N 3.02Å; I122-R125 PolarHBondContact O-N 3.1Å; I122-N126 WeakPolarHBondContact O-CB 3.33Å; I122-N126 PolarHBondContact O-N 3.44Å; I122-N126 PolarHBondContact O-ND2 3.44Å; I122-N126 PolarHBondContact O-OD1 2.98Å; I122-F195 HydrophobicContact CD1-CE2 4.25Å; I122-F195 HydrophobicContact CG1-CE2 4.26Å; I122-F232 HydrophobicContact CG1-CE2 3.95Å
123	I	95.3	Very high	93.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-49.9	176.9	-74.7	173.8	0	0	0	110.3	V29 F30 Y34 T119 D120 R125 N126 A127 H343	V29-I123 HydrophobicContact CG1-CB 4.42Å; V29-I123 HydrophobicContact CG1-CG2 3.92Å; F30-I123 HydrophobicContact CD1-CG2 3.59Å; F30-I123 HydrophobicContact CE1-CG2 3.22Å; F30-I123 HydrophobicContact CE2-CG2 4.4Å; F30-I123 HydrophobicContact CG-CG2 4.32Å; F30-I123 HydrophobicContact CZ-CG2 3.7Å; Y34-I123 HydrophobicContact CD1-CD1 4.29Å; Y34-I123 HydrophobicContact CD1-CG1 3.86Å; Y34-I123 HydrophobicContact CE1-CG1 3.8Å; T119-I123 HydrophobicContact CG2-CD1 3.77Å; T119-I123 HydrophobicContact CG2-CG1 4.27Å; T119-I123 WeakPolarHBondContact O-CB 3.34Å; T119-I123 WeakPolarHBondContact O-CG1 3.37Å; T119-I123 PolarHBondContact O-N 3.26Å; D120-I123 WeakPolarHBondContact O-CB 3.43Å; D120-I123 PolarHBondContact O-N 2.84Å; I123-R125 PolarHBondContact O-N 3.04Å; I123-N126 PolarHBondContact O-N 3.05Å; I123-A127 WeakPolarHBondContact O-CB 3.43Å; I123-A127 PolarHBondContact O-N 3.22Å; I123-H343 WeakPolarHBondContact CD1-NE2 3.02Å
124	L	92.6	Very high	93.2	Very high	9 Å²	9	15.9 Å²	15.9	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-46	178.8	-70.5	174.6	0	0	0	111.8	D120 N126 A127 L128 L193 V251	D120-L124 WeakPolarHBondContact O-CB 3.35Å; D120-L124 VanDerWaalsContact O-CG 3.24Å; D120-L124 WeakPolarHBondContact O-CG 3.26Å; D120-L124 PolarHBondContact O-N 3.26Å; L124-N126 PolarHBondContact O-N 2.84Å; L124-A127 PolarHBondContact O-N 3.39Å; L124-L128 VanDerWaalsContact O-CG 3.32Å; L124-L128 WeakPolarHBondContact O-CG 3.05Å; L124-L128 PolarHBondContact O-N 3.16Å; L124-L193 HydrophobicContact CB-CD2 4.3Å; L124-V251 HydrophobicContact CD2-CG1 4.35Å
125	R	98.3	Very high	92.6	Very high	38 Å²	38	16.1 Å²	16.1	14%	0.143	9%	0.09	C	C	.	.	H	α-helix	trans	-59.7	-47	176.6	-171	-175.3	66.9	-164.2	-3.7	111.4	L121 I122 I123 L128 D129 R190 L193 A230 G231 F232	L121-R125 WeakPolarHBondContact O-CB 3.33Å; L121-R125 PolarHBondContact O-N 3.46Å; I122-R125 PolarHBondContact O-N 3.1Å; I123-R125 PolarHBondContact O-N 3.04Å; R125-L128 PolarHBondContact O-N 3.35Å; R125-D129 PolarHBondContact O-N 3.01Å; R125-R190 HydrophobicContact CG-CG 4.47Å; R125-L193 HydrophobicContact CB-CD2 3.96Å; R125-A230 PolarHBondContact NH1-O 3.39Å; R125-A230 PolarHBondContact NH2-O 3.16Å; R125-G231 VanDerWaalsContact NH1-C 3.33Å; R125-G231 PolarHBondContact NH1-O 3.46Å; R125-G231 VanDerWaalsContact NH1-O 3.1Å; R125-F232 HydrophobicContact CB-CZ 4.26Å
126	N	91.4	Very high	91.9	Very high	36 Å²	36	18 Å²	18	19%	0.193	11%	0.106	C	C	.	.	H	α-helix	trans	-70.4	-36.3	-176.8	-66.6	-8.6	0	0	0	111.8	V29 Y34 I122 I123 L124 D129 L130	V29-N126 HydrophobicContact CG1-CB 4.45Å; Y34-N126 PolarHBondContact OH-ND2 3.19Å; I122-N126 WeakPolarHBondContact O-CB 3.33Å; I122-N126 PolarHBondContact O-N 3.44Å; I122-N126 PolarHBondContact O-ND2 3.44Å; I122-N126 PolarHBondContact O-OD1 2.98Å; I123-N126 PolarHBondContact O-N 3.05Å; L124-N126 PolarHBondContact O-N 2.84Å; N126-D129 PolarHBondContact O-N 3.29Å; N126-L130 WeakPolarHBondContact O-CG 3.07Å; N126-L130 PolarHBondContact O-N 3.4Å
127	A	89.3	Confident	91.2	Very high	8 Å²	8	23.6 Å²	23.6	7%	0.066	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-44.1	172.2	0	0	0	0	0	111.4	M26 V29 F30 I123 L124 D129 L130 L131	M26-A127 HydrophobicContact CE-CB 4.21Å; M26-A127 HydrophobicContact SD-CB 3.75Å; V29-A127 HydrophobicContact CG1-CB 4.48Å; F30-A127 HydrophobicContact CE2-CB 3.97Å; F30-A127 HydrophobicContact CZ-CB 4.11Å; I123-A127 WeakPolarHBondContact O-CB 3.43Å; I123-A127 PolarHBondContact O-N 3.22Å; L124-A127 PolarHBondContact O-N 3.39Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 2.63Å; A127-L130 PolarHBondContact O-N 3.11Å; A127-L131 WeakPolarHBondContact O-CG 3.45Å; A127-L131 PolarHBondContact O-N 3.05Å; A127-L131 VanDerWaalsContact O-N 3.08Å
128	L	86.3	Confident	90.4	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-41.5	173.9	-70.2	167.6	0	0	0	111.7	L124 R125 L130 L131 L132 L186 V189 R190	L124-L128 VanDerWaalsContact O-CG 3.32Å; L124-L128 WeakPolarHBondContact O-CG 3.05Å; L124-L128 PolarHBondContact O-N 3.16Å; R125-L128 PolarHBondContact O-N 3.35Å; L128-L130 PolarHBondContact O-N 3.45Å; L128-L131 PolarHBondContact O-N 3.19Å; L128-L131 VanDerWaalsContact O-N 3.13Å; L128-L132 VanDerWaalsContact O-CG 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 3.49Å; L128-L186 HydrophobicContact CD2-CG 4.13Å; L128-V189 HydrophobicContact CD1-CG1 4.11Å; L128-R190 HydrophobicContact CB-CB 4.07Å; L128-R190 HydrophobicContact CB-CG 4.08Å; L128-R190 HydrophobicContact CD1-CB 3.94Å
129	D	93.1	Very high	89.7	Confident	54 Å²	54	24.7 Å²	24.7	29%	0.289	13%	0.128	S	C	.	.	H	α-helix	trans	-63.6	-27.7	176.4	-76.6	-19.2	0	0	0	113	R125 N126 A127 P133 R190	R125-D129 PolarHBondContact O-N 3.01Å; N126-D129 PolarHBondContact O-N 3.29Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 2.63Å; D129-P133 WeakPolarHBondContact O-CD 3.46Å; D129-P133 WeakPolarHBondContact O-CG 3.24Å; D129-R190 IonicContact OD1-CZ 2.71Å; D129-R190 IonicContact OD1-NE 2.71Å; D129-R190 PolarHBondContact OD1-NE 3.31Å; D129-R190 IonicContact OD1-NH2 2.85Å; D129-R190 PolarHBondContact OD1-NH2 3.2Å; D129-R190 IonicContact OD2-CZ 2.66Å; D129-R190 IonicContact OD2-NE 2.74Å; D129-R190 PolarHBondContact OD2-NE 2.98Å; D129-R190 IonicContact OD2-NH2 3.44Å; D129-R190 PolarHBondContact OD2-NH2 3.37Å
130	L	84.9	Confident	89.1	Confident	46 Å²	46	27.1 Å²	27.1	24%	0.241	15%	0.145	C	C	.	.	H	α-helix	trans	-76.3	-36.7	171.4	-68.7	176.8	0	0	0	112.8	E25 M26 V29 N126 A127 L128 K134	E25-L130 HydrophobicContact CB-CD1 4.19Å; E25-L130 HydrophobicContact CB-CD2 4.34Å; M26-L130 HydrophobicContact CB-CD1 4.42Å; M26-L130 HydrophobicContact CE-CB 3.84Å; M26-L130 HydrophobicContact CE-CD1 4.01Å; M26-L130 HydrophobicContact SD-CD1 4.26Å; V29-L130 HydrophobicContact CG2-CD1 3.91Å; N126-L130 WeakPolarHBondContact O-CG 3.07Å; N126-L130 PolarHBondContact O-N 3.4Å; A127-L130 PolarHBondContact O-N 3.11Å; L128-L130 PolarHBondContact O-N 3.45Å; L130-K134 WeakPolarHBondContact O-CD 3.35Å; L130-K134 WeakPolarHBondContact O-CG 3.48Å
131	L	84.3	Confident	88.4	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-74.2	-42.4	-178	-69.5	174.9	0	0	0	112.9	M26 A127 L128 K134 L135 L186 L255 I362 E363	M26-L131 HydrophobicContact CE-CD2 4.1Å; M26-L131 HydrophobicContact CE-CG 4.04Å; A127-L131 WeakPolarHBondContact O-CG 3.45Å; A127-L131 PolarHBondContact O-N 3.05Å; A127-L131 VanDerWaalsContact O-N 3.08Å; L128-L131 PolarHBondContact O-N 3.19Å; L128-L131 VanDerWaalsContact O-N 3.13Å; L131-K134 WeakPolarHBondContact O-CB 3.37Å; L131-K134 PolarHBondContact O-N 3.01Å; L131-L135 PolarHBondContact O-N 3.31Å; L131-L186 HydrophobicContact CB-CD2 4.06Å; L131-L186 HydrophobicContact CD1-CD2 4.47Å; L131-L255 HydrophobicContact CD1-CD2 3.84Å; L131-I362 HydrophobicContact CD1-CG2 3.83Å; L131-I362 HydrophobicContact CD2-CG2 4.32Å; L131-E363 HydrophobicContact CD2-CG 4.14Å
132	L	88.1	Confident	87.6	Confident	21 Å²	21	34.4 Å²	34.4	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-49.7	-53.5	-177.8	-77	167.7	0	0	0	113.9	L128 K134 L135 A136 L183 L186 K187 R190	L128-L132 VanDerWaalsContact O-CG 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 3.49Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 3.46Å; L132-L135 PolarHBondContact O-N 2.98Å; L132-A136 WeakPolarHBondContact O-CB 3.07Å; L132-A136 PolarHBondContact O-N 2.91Å; L132-L183 HydrophobicContact CD2-CD1 3.8Å; L132-L186 HydrophobicContact CD2-CB 3.76Å; L132-K187 HydrophobicContact CD1-CD 4.22Å; L132-K187 HydrophobicContact CD2-CB 4.11Å; L132-R190 HydrophobicContact CD1-CB 4.41Å; L132-R190 HydrophobicContact CD1-CG 4.26Å
133	P	85.9	Confident	87	Confident	58 Å²	58	35.9 Å²	35.9	38%	0.377	19%	0.187	S	C	.	.	H	α-helix	trans	-70.3	-26.7	179.7	28.6	-36.3	0	0	0	112.9	D129 R137	D129-P133 WeakPolarHBondContact O-CD 3.46Å; D129-P133 WeakPolarHBondContact O-CG 3.24Å; P133-R137 WeakPolarHBondContact O-CG 3.46Å; P133-R137 PolarHBondContact O-N 3.12Å; P133-R137 VanDerWaalsContact O-N 3.11Å; P133-R137 PolarHBondContact O-NH1 2.99Å
134	K	83.3	Confident	86.5	Confident	12 Å²	12	40 Å²	40	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-50.5	174.8	-68	173.6	-175.5	-167.5	0	110.1	S23 L130 L131 L132 A136 R137 V138 E363 A366 E367	S23-K134 PolarHBondContact OG-NZ 3.22Å; L130-K134 WeakPolarHBondContact O-CD 3.35Å; L130-K134 WeakPolarHBondContact O-CG 3.48Å; L131-K134 WeakPolarHBondContact O-CB 3.37Å; L131-K134 PolarHBondContact O-N 3.01Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 3.46Å; K134-A136 PolarHBondContact O-N 3.47Å; K134-R137 WeakPolarHBondContact O-CB 3.47Å; K134-R137 PolarHBondContact O-N 3.38Å; K134-R137 VanDerWaalsContact O-N 3.14Å; K134-V138 PolarHBondContact O-N 2.8Å; K134-V138 VanDerWaalsContact O-N 3.09Å; K134-E363 IonicContact NZ-OE1 2.76Å; K134-E363 PolarHBondContact NZ-OE1 2.66Å; K134-A366 HydrophobicContact CB-CB 3.63Å; K134-A366 HydrophobicContact CD-CB 4.41Å; K134-E367 HydrophobicContact CD-CG 3.78Å; K134-E367 WeakPolarHBondContact CE-OE1 3.47Å; K134-E367 IonicContact NZ-OE1 3.7Å; K134-E367 PolarHBondContact NZ-OE1 2.88Å
135	L	86.2	Confident	86	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-42.6	176.2	-179.1	56.7	0	0	0	112.2	L131 L132 R137 V138 I139 L179 D182 L183 L186 L258	L131-L135 PolarHBondContact O-N 3.31Å; L132-L135 PolarHBondContact O-N 2.98Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.29Å; L135-V138 PolarHBondContact O-N 3.36Å; L135-I139 HydrophobicContact CD1-CD1 4.22Å; L135-I139 HydrophobicContact CD1-CG1 4.46Å; L135-I139 HydrophobicContact CG-CD1 4.01Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 3.01Å; L135-L179 HydrophobicContact CD1-CB 4.14Å; L135-L179 HydrophobicContact CD1-CD2 3.93Å; L135-L179 HydrophobicContact CD1-CG 4.47Å; L135-D182 HydrophobicContact CD2-CB 4.14Å; L135-L183 HydrophobicContact CB-CD1 4.38Å; L135-L183 HydrophobicContact CD2-CB 3.86Å; L135-L183 HydrophobicContact CD2-CD1 4.13Å; L135-L183 HydrophobicContact CG-CB 4.29Å; L135-L183 HydrophobicContact CG-CD1 4.24Å; L135-L186 HydrophobicContact CD2-CD2 4.26Å; L135-L258 HydrophobicContact CD1-CD1 4.09Å; L135-L258 HydrophobicContact CD2-CD1 4.48Å
136	A	84.3	Confident	85.4	Confident	41 Å²	41	41.1 Å²	41.1	34%	0.339	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-37.3	176	0	0	0	0	0	112.8	L132 K134 S140 L183	L132-A136 WeakPolarHBondContact O-CB 3.07Å; L132-A136 PolarHBondContact O-N 2.91Å; K134-A136 PolarHBondContact O-N 3.47Å; A136-S140 WeakPolarHBondContact O-CB 3.45Å; A136-S140 PolarHBondContact O-N 3.09Å; A136-L183 HydrophobicContact CB-CD1 4.49Å; A136-L183 HydrophobicContact CB-CD2 4.49Å
137	R	81.3	Confident	85.6	Confident	131 Å²	131	47.8 Å²	47.8	49%	0.494	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-44.2	174.1	-77.7	-172.3	-62.2	-93.2	9.5	112	P133 K134 L135 I139 S140 R141	P133-R137 WeakPolarHBondContact O-CG 3.46Å; P133-R137 PolarHBondContact O-N 3.12Å; P133-R137 VanDerWaalsContact O-N 3.11Å; P133-R137 PolarHBondContact O-NH1 2.99Å; K134-R137 WeakPolarHBondContact O-CB 3.47Å; K134-R137 PolarHBondContact O-N 3.38Å; K134-R137 VanDerWaalsContact O-N 3.14Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.29Å; R137-I139 VanDerWaalsContact C-N 3.34Å; R137-I139 PolarHBondContact O-N 3.37Å; R137-S140 PolarHBondContact O-N 3.39Å; R137-R141 VanDerWaalsContact O-CG 3.32Å; R137-R141 WeakPolarHBondContact O-CG 3.11Å; R137-R141 PolarHBondContact O-N 3.03Å
138	V	82.8	Confident	85.5	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-49.6	175.9	174.3	0	0	0	0	110.4	K134 L135 S140 R141 L142 L179 F369	K134-V138 PolarHBondContact O-N 2.8Å; K134-V138 VanDerWaalsContact O-N 3.09Å; L135-V138 PolarHBondContact O-N 3.36Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 3.46Å; V138-R141 PolarHBondContact O-N 3.49Å; V138-L142 HydrophobicContact CG1-CD1 4.01Å; V138-L142 HydrophobicContact CG1-CG 4.46Å; V138-L142 WeakPolarHBondContact O-CG 3.4Å; V138-L142 PolarHBondContact O-N 3.28Å; V138-L179 HydrophobicContact CG1-CD1 3.85Å; V138-F369 HydrophobicContact CB-CB 4.39Å; V138-F369 HydrophobicContact CG1-CB 3.73Å; V138-F369 HydrophobicContact CG1-CG 4.42Å; V138-F369 HydrophobicContact CG2-CB 3.78Å
139	I	84.1	Confident	85.6	Confident	20 Å²	20	58 Å²	58	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-47.3	176.7	-70.1	162.9	0	0	0	110.9	L135 R137 R141 L142 A143 I176 L179 L183	L135-I139 HydrophobicContact CD1-CD1 4.22Å; L135-I139 HydrophobicContact CD1-CG1 4.46Å; L135-I139 HydrophobicContact CG-CD1 4.01Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 3.01Å; R137-I139 VanDerWaalsContact C-N 3.34Å; R137-I139 PolarHBondContact O-N 3.37Å; I139-R141 PolarHBondContact O-N 2.79Å; I139-L142 PolarHBondContact O-N 2.83Å; I139-A143 VanDerWaalsContact O-CB 3.29Å; I139-A143 WeakPolarHBondContact O-CB 3.06Å; I139-A143 PolarHBondContact O-N 3.46Å; I139-I176 HydrophobicContact CG2-CG2 4.25Å; I139-L179 HydrophobicContact CD1-CB 4.03Å; I139-L179 WeakPolarHBondContact CD1-O 3.48Å; I139-L179 HydrophobicContact CG1-CB 3.67Å; I139-L179 HydrophobicContact CG1-CD1 4.42Å; I139-L183 HydrophobicContact CD1-CB 3.91Å; I139-L183 HydrophobicContact CD1-CD2 3.88Å; I139-L183 HydrophobicContact CD1-CG 4.43Å
140	S	86.1	Confident	85.6	Confident	51 Å²	51	57.7 Å²	57.7	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-44	178.6	179.5	0	0	0	0	112.2	A136 R137 V138 A143 D144	A136-S140 WeakPolarHBondContact O-CB 3.45Å; A136-S140 PolarHBondContact O-N 3.09Å; R137-S140 PolarHBondContact O-N 3.39Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 3.46Å; S140-A143 WeakPolarHBondContact O-CB 3.5Å; S140-A143 PolarHBondContact O-N 3.15Å; S140-D144 VanDerWaalsContact O-CG 3.25Å; S140-D144 PolarHBondContact O-N 3.1Å
141	R	81.9	Confident	86.1	Confident	142 Å²	142	60.8 Å²	60.8	54%	0.536	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-40.7	-179.8	-67.2	-67.2	171.5	-90.5	-5.5	112.2	R137 V138 I139 A143 D144 F145	R137-R141 VanDerWaalsContact O-CG 3.32Å; R137-R141 WeakPolarHBondContact O-CG 3.11Å; R137-R141 PolarHBondContact O-N 3.03Å; V138-R141 PolarHBondContact O-N 3.49Å; I139-R141 PolarHBondContact O-N 2.79Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-D144 IonicContact NH1-OD2 3.17Å; R141-D144 PolarHBondContact O-N 3.21Å; R141-F145 PolarHBondContact O-N 3.03Å
142	L	80.9	Confident	86.5	Confident	23 Å²	23	64 Å²	64	12%	0.12	33%	0.333	C	S	.	.	H	α-helix	trans	-65.3	-36.4	173.3	-69.8	177.3	0	0	0	111.6	V138 I139 F145 A146 C172 W175 I176 L179	V138-L142 HydrophobicContact CG1-CD1 4.01Å; V138-L142 HydrophobicContact CG1-CG 4.46Å; V138-L142 WeakPolarHBondContact O-CG 3.4Å; V138-L142 PolarHBondContact O-N 3.28Å; I139-L142 PolarHBondContact O-N 2.83Å; L142-F145 PolarHBondContact O-N 2.95Å; L142-A146 VanDerWaalsContact O-CB 3.24Å; L142-A146 WeakPolarHBondContact O-CB 3.49Å; L142-A146 PolarHBondContact O-N 3.49Å; L142-C172 PolarHBondContact O-SG 2.92Å; L142-C172 VanDerWaalsContact O-SG 3.36Å; L142-W175 HydrophobicContact CD2-CE3 4.46Å; L142-I176 HydrophobicContact CB-CD1 4Å; L142-I176 HydrophobicContact CB-CG1 3.62Å; L142-I176 HydrophobicContact CD1-CG1 4.47Å; L142-L179 HydrophobicContact CD1-CD1 3.68Å
143	A	87.6	Confident	86.8	Confident	39 Å²	39	67.2 Å²	67.2	32%	0.322	35%	0.354	S	S	.	.	H	α-helix	trans	-66.4	-42.3	175.7	0	0	0	0	0	112.3	I139 S140 R141 F145 A146 K147 I176	I139-A143 VanDerWaalsContact O-CB 3.29Å; I139-A143 WeakPolarHBondContact O-CB 3.06Å; I139-A143 PolarHBondContact O-N 3.46Å; S140-A143 WeakPolarHBondContact O-CB 3.5Å; S140-A143 PolarHBondContact O-N 3.15Å; R141-A143 VanDerWaalsContact C-N 3.31Å; A143-F145 VanDerWaalsContact C-N 3.34Å; A143-A146 PolarHBondContact O-N 2.86Å; A143-K147 WeakPolarHBondContact O-CB 3.3Å; A143-K147 PolarHBondContact O-N 3.41Å; A143-I176 HydrophobicContact CB-CD1 4.23Å
144	D	83.9	Confident	87.2	Confident	86 Å²	86	65.1 Å²	65.1	46%	0.46	34%	0.341	S	S	.	.	H	α-helix	trans	-57.7	-48.7	172.6	-66.1	-31.8	0	0	0	110.3	S140 R141 A146 K147 E148	S140-D144 VanDerWaalsContact O-CG 3.25Å; S140-D144 PolarHBondContact O-N 3.1Å; R141-D144 IonicContact NH1-OD2 3.17Å; R141-D144 PolarHBondContact O-N 3.21Å; D144-A146 PolarHBondContact O-N 3Å; D144-K147 PolarHBondContact O-N 3.26Å; D144-E148 PolarHBondContact O-N 3.37Å
145	F	82.1	Confident	87.9	Confident	63 Å²	63	67.3 Å²	67.3	28%	0.276	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176	177.7	-98.6	0	0	0	112.6	R141 L142 A143 K147 E148 R149 V168 C172 M278	R141-F145 PolarHBondContact O-N 3.03Å; L142-F145 PolarHBondContact O-N 2.95Å; A143-F145 VanDerWaalsContact C-N 3.34Å; F145-K147 VanDerWaalsContact C-N 3.31Å; F145-K147 PolarHBondContact O-N 2.95Å; F145-E148 PolarHBondContact O-N 2.95Å; F145-R149 HydrophobicContact CD2-CG 4.18Å; F145-R149 HydrophobicContact CE1-CG 4.38Å; F145-R149 HydrophobicContact CE2-CG 3.82Å; F145-R149 HydrophobicContact CZ-CG 3.93Å; F145-R149 WeakPolarHBondContact O-CB 3.26Å; F145-R149 WeakPolarHBondContact O-CG 3.05Å; F145-R149 PolarHBondContact O-N 3.44Å; F145-V168 HydrophobicContact CE1-CG1 3.72Å; F145-V168 HydrophobicContact CZ-CG1 3.68Å; F145-C172 HydrophobicContact CD1-CB 4.1Å; F145-C172 HydrophobicContact CE1-CB 4.35Å; F145-M278 HydrophobicContact CE1-CE 3.94Å; F145-M278 HydrophobicContact CZ-CE 3.67Å
146	A	85.2	Confident	88.4	Confident	8 Å²	8	67.3 Å²	67.3	7%	0.066	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-39.3	179.7	0	0	0	0	0	111.5	L142 A143 D144 R149 A150 G169 C172 I176	L142-A146 VanDerWaalsContact O-CB 3.24Å; L142-A146 WeakPolarHBondContact O-CB 3.49Å; L142-A146 PolarHBondContact O-N 3.49Å; A143-A146 PolarHBondContact O-N 2.86Å; D144-A146 PolarHBondContact O-N 3Å; A146-R149 CarbonylContact O-C 3.06Å; A146-R149 PolarHBondContact O-N 3.38Å; A146-A150 VanDerWaalsContact O-CA 3.27Å; A146-A150 WeakPolarHBondContact O-CA 3.26Å; A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 3.32Å; A146-G169 WeakPolarHBondContact O-CA 3.47Å; A146-C172 HydrophobicContact CB-CB 3.91Å; A146-I176 HydrophobicContact CB-CD1 3.81Å
147	K	95.4	Very high	89.1	Confident	176 Å²	176	68.2 Å²	68.2	77%	0.765	35%	0.351	S	S	*	.	H	α-helix	trans	-66.6	-47.1	176.1	-175.5	179.9	179.1	-177.5	0	111.6	A143 D144 F145 R149 A150	A143-K147 WeakPolarHBondContact O-CB 3.3Å; A143-K147 PolarHBondContact O-N 3.41Å; D144-K147 PolarHBondContact O-N 3.26Å; F145-K147 VanDerWaalsContact C-N 3.31Å; F145-K147 PolarHBondContact O-N 2.95Å; K147-R149 PolarHBondContact O-N 2.76Å; K147-A150 WeakPolarHBondContact O-CB 3.21Å; K147-A150 PolarHBondContact O-N 3.17Å
148	E	87.9	Confident	89.9	Confident	130 Å²	130	66 Å²	66	61%	0.607	35%	0.352	S	S	*	.	H	α-helix	trans	-59.1	-38.3	176.9	-172.4	-167.4	142.5	0	0	111.7	D144 F145	D144-E148 PolarHBondContact O-N 3.37Å; F145-E148 PolarHBondContact O-N 2.95Å
149	R	87.7	Confident	90.6	Very high	97 Å²	97	74.3 Å²	74.3	37%	0.366	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	17.7	-176	-52.7	-58.6	174.1	158.9	-5.6	113.6	F145 A146 K147 S151 L152 V168 G169	F145-R149 HydrophobicContact CD2-CG 4.18Å; F145-R149 HydrophobicContact CE1-CG 4.38Å; F145-R149 HydrophobicContact CE2-CG 3.82Å; F145-R149 HydrophobicContact CZ-CG 3.93Å; F145-R149 WeakPolarHBondContact O-CB 3.26Å; F145-R149 WeakPolarHBondContact O-CG 3.05Å; F145-R149 PolarHBondContact O-N 3.44Å; A146-R149 CarbonylContact O-C 3.06Å; A146-R149 PolarHBondContact O-N 3.38Å; K147-R149 PolarHBondContact O-N 2.76Å; R149-S151 VanDerWaalsContact C-N 3.27Å; R149-S151 PolarHBondContact O-N 3.33Å; R149-L152 HydrophobicContact CB-CB 4.4Å; R149-L152 PolarHBondContact O-N 3.36Å; R149-V168 HydrophobicContact CB-CB 3.98Å; R149-V168 HydrophobicContact CB-CG1 3.84Å; R149-V168 HydrophobicContact CG-CG1 4.24Å; R149-G169 WeakPolarHBondContact O-CA 3.42Å; R149-G169 PolarHBondContact O-N 3.47Å
150	A	93.6	Very high	91.2	Very high	47 Å²	47	77.8 Å²	77.8	39%	0.388	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-38.9	-173.2	0	0	0	0	0	112.9	A146 K147 T167	A146-A150 VanDerWaalsContact O-CA 3.27Å; A146-A150 WeakPolarHBondContact O-CA 3.26Å; A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 3.32Å; K147-A150 WeakPolarHBondContact O-CB 3.21Å; K147-A150 PolarHBondContact O-N 3.17Å; A150-T167 WeakPolarHBondContact O-CB 3.48Å; A150-T167 VanDerWaalsContact O-CG2 3.31Å; A150-T167 WeakPolarHBondContact O-CG2 3.42Å; A150-T167 PolarHBondContact O-OG1 2.95Å
151	S	95.8	Very high	91.8	Very high	111 Å²	111	81.2 Å²	81.2	78%	0.776	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	5.2	-176.9	-53.1	0	0	0	0	113.9	R149 P153	R149-S151 VanDerWaalsContact C-N 3.27Å; R149-S151 PolarHBondContact O-N 3.33Å; S151-P153 WeakPolarHBondContact O-CD 3.44Å
152	L	91.9	Very high	92.5	Very high	76 Å²	76	78.7 Å²	78.7	40%	0.398	42%	0.417	S	S	.	.			trans	-80.2	106.7	-179.1	176	59.1	0	0	0	109.9	R149 T167 V168	R149-L152 HydrophobicContact CB-CB 4.4Å; R149-L152 PolarHBondContact O-N 3.36Å; L152-T167 CarbonylContact O-C 3.08Å; L152-T167 WeakPolarHBondContact O-CA 3.42Å; L152-T167 VanDerWaalsContact O-CB 3.23Å; L152-T167 WeakPolarHBondContact O-CB 3.34Å; L152-V168 HydrophobicContact CB-CB 4.39Å; L152-V168 HydrophobicContact CB-CG2 4.41Å; L152-V168 HydrophobicContact CD2-CB 4.13Å; L152-V168 HydrophobicContact CD2-CG2 3.73Å; L152-V168 HydrophobicContact CG-CB 4.36Å; L152-V168 HydrophobicContact CG-CG2 3.89Å; L152-V168 PolarHBondContact O-N 2.98Å
153	P	94.8	Very high	93.4	Very high	87 Å²	87	79.4 Å²	79.4	57%	0.565	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	144.8	-178.5	-17	33.6	0	0	0	111	S151 T166	S151-P153 WeakPolarHBondContact O-CD 3.44Å; P153-T166 WeakPolarHBondContact CA-O 3.36Å
154	T	94.6	Very high	93.8	Very high	15 Å²	15	86.1 Å²	86.1	9%	0.092	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.7	173.2	177.9	0	0	0	0	109	G156 T166 V168 R171 E277	T154-G156 PolarHBondContact O-N 3.32Å; T154-T166 HydrophobicContact CG2-CG2 3.67Å; T154-T166 PolarHBondContact N-O 2.95Å; T154-T166 PolarHBondContact O-N 2.76Å; T154-T166 VanDerWaalsContact O-O 3.08Å; T154-V168 HydrophobicContact CG2-CG2 3.84Å; T154-R171 PolarHBondContact OG1-NH1 3.46Å; T154-E277 PolarHBondContact OG1-OE2 3.34Å
155	L	97	Very high	94.5	Very high	58 Å²	58	88 Å²	88	30%	0.304	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	127.3	178.6	-174.4	59.2	0	0	0	110.2	F157 P162 L165 R171	L155-F157 HydrophobicContact CB-CE2 4.34Å; L155-F157 HydrophobicContact CB-CZ 4.19Å; L155-F157 HydrophobicContact CD2-CE1 3.73Å; L155-F157 HydrophobicContact CD2-CZ 3.71Å; L155-F157 HydrophobicContact CG-CE1 4.14Å; L155-F157 HydrophobicContact CG-CE2 4.5Å; L155-F157 HydrophobicContact CG-CZ 4.02Å; L155-P162 HydrophobicContact CD1-CB 4.11Å; L155-P162 HydrophobicContact CD2-CB 3.97Å; L155-P162 HydrophobicContact CD2-CG 4.13Å; L155-P162 HydrophobicContact CG-CB 4.41Å; L155-L165 HydrophobicContact CD1-CD2 4.14Å; L155-R171 PolarHBondContact O-NH2 3.3Å
156	G	97.9	Very high	95.2	Very high	6 Å²	6	86.8 Å²	86.8	6%	0.062	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	151	170.8	0	0	0	0	0	110.8	T154 A163 Q164	T154-G156 PolarHBondContact O-N 3.32Å; G156-A163 PolarHBondContact O-N 2.94Å; G156-Q164 VanDerWaalsContact CA-O 3.3Å; G156-Q164 WeakPolarHBondContact CA-O 3.31Å; G156-Q164 PolarHBondContact N-O 2.75Å
157	F	98.3	Very high	95.8	Very high	60 Å²	60	88.1 Å²	88.1	26%	0.263	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.6	-180	-69.3	-70.4	0	0	0	111.5	L155 F160 Q161 L275	L155-F157 HydrophobicContact CB-CE2 4.34Å; L155-F157 HydrophobicContact CB-CZ 4.19Å; L155-F157 HydrophobicContact CD2-CE1 3.73Å; L155-F157 HydrophobicContact CD2-CZ 3.71Å; L155-F157 HydrophobicContact CG-CE1 4.14Å; L155-F157 HydrophobicContact CG-CE2 4.5Å; L155-F157 HydrophobicContact CG-CZ 4.02Å; F157-F160 HydrophobicContact CB-CD2 4.42Å; F157-F160 HydrophobicContact CD1-CD2 4.16Å; F157-F160 HydrophobicContact CG-CD2 4.16Å; F157-Q161 WeakPolarHBondContact CA-O 3.41Å; F157-L275 HydrophobicContact CE2-CD1 3.81Å; F157-L275 HydrophobicContact CZ-CD1 3.79Å
158	T	97.8	Very high	95.5	Very high	84 Å²	84	80.8 Å²	80.8	52%	0.515	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.8	166.3	55.1	0	0	0	0	107.4	F160 Q161 A163	T158-F160 PolarHBondContact O-N 3.02Å; T158-Q161 PolarHBondContact N-O 3.36Å; T158-Q161 WeakPolarHBondContact O-CB 3.37Å; T158-Q161 PolarHBondContact O-N 2.99Å; T158-A163 HydrophobicContact CG2-CB 4.3Å
159	H	97.6	Very high	95.5	Very high	182 Å²	182	74.6 Å²	74.6	84%	0.843	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	23.2	-167.3	-50.2	-87	0	0	0	113.9	Q161	H159-Q161 HydrophobicContact CB-CG 4.43Å; H159-Q161 PolarHBondContact O-N 2.59Å; H159-Q161 VanDerWaalsContact O-N 3.13Å
160	F	97.8	Very high	96	Very high	92 Å²	92	75.7 Å²	75.7	40%	0.404	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	24.3	-168.7	-157.7	-134.2	0	0	0	113.8	F157 T158 L271 L275	F157-F160 HydrophobicContact CB-CD2 4.42Å; F157-F160 HydrophobicContact CD1-CD2 4.16Å; F157-F160 HydrophobicContact CG-CD2 4.16Å; T158-F160 PolarHBondContact O-N 3.02Å; F160-L271 HydrophobicContact CD2-CD1 4.47Å; F160-L271 HydrophobicContact CE1-CD2 4.19Å; F160-L271 HydrophobicContact CE2-CB 4.18Å; F160-L271 HydrophobicContact CE2-CD1 4.28Å; F160-L271 HydrophobicContact CZ-CB 4.15Å; F160-L271 HydrophobicContact CZ-CD2 4.04Å; F160-L271 HydrophobicContact CZ-CG 4.48Å; F160-L275 HydrophobicContact CE2-CD1 4.05Å; F160-L275 HydrophobicContact CZ-CD1 4.12Å; F160-L275 HydrophobicContact CZ-CD2 4.36Å; F160-L275 HydrophobicContact CZ-CG 4.33Å
161	Q	97.8	Very high	96.2	Very high	124 Å²	124	74.8 Å²	74.8	58%	0.579	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	149.3	170.6	-65.6	-60.3	-50.6	0	0	110.3	F157 T158 H159 A163	F157-Q161 WeakPolarHBondContact CA-O 3.41Å; T158-Q161 PolarHBondContact N-O 3.36Å; T158-Q161 WeakPolarHBondContact O-CB 3.37Å; T158-Q161 PolarHBondContact O-N 2.99Å; H159-Q161 HydrophobicContact CB-CG 4.43Å; H159-Q161 PolarHBondContact O-N 2.59Å; H159-Q161 VanDerWaalsContact O-N 3.13Å; Q161-A163 PolarHBondContact O-N 3.45Å
162	P	97.6	Very high	95.8	Very high	89 Å²	89	69.5 Å²	69.5	58%	0.578	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.3	127.7	175.4	-27.7	35.8	0	0	0	112.4	L155	L155-P162 HydrophobicContact CD1-CB 4.11Å; L155-P162 HydrophobicContact CD2-CB 3.97Å; L155-P162 HydrophobicContact CD2-CG 4.13Å; L155-P162 HydrophobicContact CG-CB 4.41Å
163	A	98.1	Very high	96.2	Very high	37 Å²	37	68.7 Å²	68.7	31%	0.306	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-174.3	175.7	0	0	0	0	0	110.5	G156 T158 Q161	G156-A163 PolarHBondContact O-N 2.94Å; T158-A163 HydrophobicContact CG2-CB 4.3Å; Q161-A163 PolarHBondContact O-N 3.45Å
164	Q	97.6	Very high	96.3	Very high	181 Å²	181	68.6 Å²	68.6	85%	0.846	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	143.5	174.1	-69.2	-174.2	-1.2	0	0	111.3	G156	G156-Q164 VanDerWaalsContact CA-O 3.3Å; G156-Q164 WeakPolarHBondContact CA-O 3.31Å; G156-Q164 PolarHBondContact N-O 2.75Å
165	L	97.3	Very high	96.4	Very high	125 Å²	125	68.1 Å²	68.1	65%	0.654	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	144.4	-179.8	-62.1	-178	0	0	0	111.1	L155	L155-L165 HydrophobicContact CD1-CD2 4.14Å
166	T	98.5	Very high	96.2	Very high	38 Å²	38	66.4 Å²	66.4	23%	0.233	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-168.3	166.6	-170.9	0	0	0	0	108.3	P153 T154 K170	P153-T166 WeakPolarHBondContact CA-O 3.36Å; T154-T166 HydrophobicContact CG2-CG2 3.67Å; T154-T166 PolarHBondContact N-O 2.95Å; T154-T166 PolarHBondContact O-N 2.76Å; T154-T166 VanDerWaalsContact O-O 3.08Å; T166-K170 WeakPolarHBondContact OG1-CG 3.32Å
167	T	96.7	Very high	96.2	Very high	35 Å²	35	72 Å²	72	22%	0.215	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155	167	70.9	0	0	0	0	111.3	A150 L152 G169 K170 R171	A150-T167 WeakPolarHBondContact O-CB 3.48Å; A150-T167 VanDerWaalsContact O-CG2 3.31Å; A150-T167 WeakPolarHBondContact O-CG2 3.42Å; A150-T167 PolarHBondContact O-OG1 2.95Å; L152-T167 CarbonylContact O-C 3.08Å; L152-T167 WeakPolarHBondContact O-CA 3.42Å; L152-T167 VanDerWaalsContact O-CB 3.23Å; L152-T167 WeakPolarHBondContact O-CB 3.34Å; T167-G169 PolarHBondContact O-N 2.78Å; T167-K170 PolarHBondContact O-N 3.11Å; T167-K170 VanDerWaalsContact OG1-CB 3.24Å; T167-K170 WeakPolarHBondContact OG1-CB 3.18Å; T167-K170 PolarHBondContact OG1-N 2.93Å; T167-R171 PolarHBondContact O-N 2.98Å
168	V	89.3	Confident	96.2	Very high	22 Å²	22	71.3 Å²	71.3	13%	0.133	37%	0.369	C	S	.	.	H	α-helix	trans	-57.8	-43	176.2	172.5	0	0	0	0	110.1	F145 R149 L152 T154 R171 C172 M278	F145-V168 HydrophobicContact CE1-CG1 3.72Å; F145-V168 HydrophobicContact CZ-CG1 3.68Å; R149-V168 HydrophobicContact CB-CB 3.98Å; R149-V168 HydrophobicContact CB-CG1 3.84Å; R149-V168 HydrophobicContact CG-CG1 4.24Å; L152-V168 HydrophobicContact CB-CB 4.39Å; L152-V168 HydrophobicContact CB-CG2 4.41Å; L152-V168 HydrophobicContact CD2-CB 4.13Å; L152-V168 HydrophobicContact CD2-CG2 3.73Å; L152-V168 HydrophobicContact CG-CB 4.36Å; L152-V168 HydrophobicContact CG-CG2 3.89Å; L152-V168 PolarHBondContact O-N 2.98Å; T154-V168 HydrophobicContact CG2-CG2 3.84Å; V168-R171 PolarHBondContact O-N 3.42Å; V168-C172 PolarHBondContact O-N 3.42Å; V168-M278 HydrophobicContact CG1-CE 4.06Å
169	G	87.6	Confident	95.8	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-44.7	174.7	0	0	0	0	0	113	A146 R149 T167 R171 C172 C173	A146-G169 WeakPolarHBondContact O-CA 3.47Å; R149-G169 WeakPolarHBondContact O-CA 3.42Å; R149-G169 PolarHBondContact O-N 3.47Å; T167-G169 PolarHBondContact O-N 2.78Å; G169-R171 VanDerWaalsContact C-N 3.33Å; G169-R171 PolarHBondContact O-N 3.24Å; G169-C172 WeakPolarHBondContact O-CB 3.41Å; G169-C172 PolarHBondContact O-N 3.38Å; G169-C172 VanDerWaalsContact O-N 3.13Å; G169-C173 PolarHBondContact O-N 3.14Å; G169-C173 PolarHBondContact O-SG 3.45Å
170	K	98.4	Very high	95.8	Very high	119 Å²	119	61 Å²	61	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-38.3	176.4	173.4	58.8	-172.6	-70.2	0	112.5	T166 T167 C173	T166-K170 WeakPolarHBondContact OG1-CG 3.32Å; T167-K170 PolarHBondContact O-N 3.11Å; T167-K170 VanDerWaalsContact OG1-CB 3.24Å; T167-K170 WeakPolarHBondContact OG1-CB 3.18Å; T167-K170 PolarHBondContact OG1-N 2.93Å; K170-C173 WeakPolarHBondContact O-CB 3.46Å; K170-C173 PolarHBondContact O-N 3.06Å
171	R	97.3	Very high	95.9	Very high	29 Å²	29	61.2 Å²	61.2	11%	0.109	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-45.6	172.9	178.3	176.5	-71.2	144.6	2.7	110.8	T154 L155 T167 V168 G169 C173 L174 W175 E277	T154-R171 PolarHBondContact OG1-NH1 3.46Å; L155-R171 PolarHBondContact O-NH2 3.3Å; T167-R171 PolarHBondContact O-N 2.98Å; V168-R171 PolarHBondContact O-N 3.42Å; G169-R171 VanDerWaalsContact C-N 3.33Å; G169-R171 PolarHBondContact O-N 3.24Å; R171-C173 VanDerWaalsContact C-N 3.27Å; R171-C173 PolarHBondContact O-N 3.13Å; R171-L174 WeakPolarHBondContact O-CB 3.33Å; R171-L174 PolarHBondContact O-N 2.68Å; R171-L174 VanDerWaalsContact O-N 3.11Å; R171-W175 HydrophobicContact CG-CZ2 3.94Å; R171-E277 IonicContact NH1-OE2 2.95Å
172	C	88.9	Confident	95.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-36.1	175.5	-170.1	0	0	0	0	112.4	L142 F145 A146 V168 G169 L174 W175 I176	L142-C172 PolarHBondContact O-SG 2.92Å; L142-C172 VanDerWaalsContact O-SG 3.36Å; F145-C172 HydrophobicContact CD1-CB 4.1Å; F145-C172 HydrophobicContact CE1-CB 4.35Å; A146-C172 HydrophobicContact CB-CB 3.91Å; V168-C172 PolarHBondContact O-N 3.42Å; G169-C172 WeakPolarHBondContact O-CB 3.41Å; G169-C172 PolarHBondContact O-N 3.38Å; G169-C172 VanDerWaalsContact O-N 3.13Å; C172-L174 PolarHBondContact O-N 3.42Å; C172-W175 HydrophobicContact CB-CE3 4.1Å; C172-W175 HydrophobicContact CB-CZ3 4.33Å; C172-W175 WeakPolarHBondContact O-CA 3.35Å; C172-W175 VanDerWaalsContact O-CB 3.29Å; C172-W175 WeakPolarHBondContact O-CB 3.35Å; C172-W175 PolarHBondContact O-N 2.96Å; C172-I176 WeakPolarHBondContact O-CG1 3.35Å; C172-I176 PolarHBondContact O-N 3.37Å
173	C	98.4	Very high	95.6	Very high	59 Å²	59	53.4 Å²	53.4	40%	0.399	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-29.5	175.4	-65.5	0	0	0	0	113.8	G169 K170 R171 W175 I176 Q177	G169-C173 PolarHBondContact O-N 3.14Å; G169-C173 PolarHBondContact O-SG 3.45Å; K170-C173 WeakPolarHBondContact O-CB 3.46Å; K170-C173 PolarHBondContact O-N 3.06Å; R171-C173 VanDerWaalsContact C-N 3.27Å; R171-C173 PolarHBondContact O-N 3.13Å; C173-W175 VanDerWaalsContact C-N 3.33Å; C173-I176 PolarHBondContact O-N 3.33Å; C173-Q177 WeakPolarHBondContact O-CB 3.44Å; C173-Q177 PolarHBondContact O-N 3.01Å
174	L	98.5	Very high	95.6	Very high	85 Å²	85	58.1 Å²	58.1	45%	0.445	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-42.7	173.3	-58.8	175.4	0	0	0	110.8	R171 C172 Q177 D178	R171-L174 WeakPolarHBondContact O-CB 3.33Å; R171-L174 PolarHBondContact O-N 2.68Å; R171-L174 VanDerWaalsContact O-N 3.11Å; C172-L174 PolarHBondContact O-N 3.42Å; L174-Q177 PolarHBondContact O-N 3.2Å; L174-D178 PolarHBondContact O-N 2.63Å
175	W	96.6	Very high	95.6	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-44.5	177.4	-52.6	-23	0	0	0	111.7	L142 R171 C172 C173 Q177 D178 L179 I265 D268 I269 L272 M278	L142-W175 HydrophobicContact CD2-CE3 4.46Å; R171-W175 HydrophobicContact CG-CZ2 3.94Å; C172-W175 HydrophobicContact CB-CE3 4.1Å; C172-W175 HydrophobicContact CB-CZ3 4.33Å; C172-W175 WeakPolarHBondContact O-CA 3.35Å; C172-W175 VanDerWaalsContact O-CB 3.29Å; C172-W175 WeakPolarHBondContact O-CB 3.35Å; C172-W175 PolarHBondContact O-N 2.96Å; C173-W175 VanDerWaalsContact C-N 3.33Å; W175-Q177 VanDerWaalsContact C-N 3.3Å; W175-Q177 PolarHBondContact O-N 2.83Å; W175-D178 PolarHBondContact O-N 3.44Å; W175-L179 WeakPolarHBondContact O-CG 3.42Å; W175-L179 PolarHBondContact O-N 3.42Å; W175-I265 HydrophobicContact CB-CD1 3.74Å; W175-I265 HydrophobicContact CB-CG1 3.61Å; W175-I265 HydrophobicContact CB-CG2 4.18Å; W175-I265 HydrophobicContact CD2-CG2 3.95Å; W175-I265 HydrophobicContact CE3-CG2 4.21Å; W175-I265 HydrophobicContact CG-CB 4.3Å; W175-I265 HydrophobicContact CG-CD1 4.4Å; W175-I265 HydrophobicContact CG-CG1 3.72Å; W175-I265 HydrophobicContact CG-CG2 3.94Å; W175-D268 HydrophobicContact CZ2-CB 3.85Å; W175-D268 PolarHBondContact NE1-OD2 3.06Å; W175-I269 HydrophobicContact CH2-CG1 4.07Å; W175-I269 HydrophobicContact CZ2-CG1 4.49Å; W175-I269 HydrophobicContact CZ3-CG1 4.46Å; W175-L272 HydrophobicContact CH2-CD1 4.18Å; W175-L272 HydrophobicContact CZ2-CD1 4.27Å; W175-M278 HydrophobicContact CH2-CE 4.27Å; W175-M278 HydrophobicContact CH2-SD 4.19Å
176	I	92.4	Very high	95	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-41.6	178.2	-66.9	165.1	0	0	0	110.9	I139 L142 A143 A146 C172 C173 D178 L179 C180	I139-I176 HydrophobicContact CG2-CG2 4.25Å; L142-I176 HydrophobicContact CB-CD1 4Å; L142-I176 HydrophobicContact CB-CG1 3.62Å; L142-I176 HydrophobicContact CD1-CG1 4.47Å; A143-I176 HydrophobicContact CB-CD1 4.23Å; A146-I176 HydrophobicContact CB-CD1 3.81Å; C172-I176 WeakPolarHBondContact O-CG1 3.35Å; C172-I176 PolarHBondContact O-N 3.37Å; C173-I176 PolarHBondContact O-N 3.33Å; I176-D178 PolarHBondContact O-N 2.96Å; I176-L179 PolarHBondContact O-N 3.08Å; I176-C180 WeakPolarHBondContact O-CB 3.41Å; I176-C180 PolarHBondContact O-N 2.66Å; I176-C180 PolarHBondContact O-SG 3.49Å
177	Q	98.8	Very high	95	Very high	123 Å²	123	48.4 Å²	48.4	58%	0.575	24%	0.244	S	C	*	.	H	α-helix	trans	-59.1	-49.2	-178.6	-174.2	179.3	-83.7	0	0	111.7	C173 L174 W175 L179 C180 M181	C173-Q177 WeakPolarHBondContact O-CB 3.44Å; C173-Q177 PolarHBondContact O-N 3.01Å; L174-Q177 PolarHBondContact O-N 3.2Å; W175-Q177 VanDerWaalsContact C-N 3.3Å; W175-Q177 PolarHBondContact O-N 2.83Å; Q177-L179 VanDerWaalsContact C-N 3.35Å; Q177-L179 PolarHBondContact O-N 3.24Å; Q177-C180 WeakPolarHBondContact O-CB 3.4Å; Q177-C180 PolarHBondContact O-N 2.64Å; Q177-M181 WeakPolarHBondContact O-CG 3.26Å; Q177-M181 PolarHBondContact O-N 3.21Å; Q177-M181 VanDerWaalsContact O-N 3.1Å
178	D	97.8	Very high	95.1	Very high	46 Å²	46	51.4 Å²	51.4	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-45.5	178.7	-68.8	-3.6	0	0	0	110.9	L174 W175 I176 C180 M181 D182	L174-D178 PolarHBondContact O-N 2.63Å; W175-D178 PolarHBondContact O-N 3.44Å; I176-D178 PolarHBondContact O-N 2.96Å; D178-C180 VanDerWaalsContact C-N 3.33Å; D178-C180 PolarHBondContact O-N 3.23Å; D178-M181 WeakPolarHBondContact O-CB 2.98Å; D178-M181 PolarHBondContact O-N 3.18Å; D178-M181 VanDerWaalsContact O-N 3.13Å; D178-D182 PolarHBondContact O-N 3.08Å
179	L	89.1	Confident	95.4	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-33.4	178.5	-64.7	176.9	0	0	0	113.1	L135 V138 I139 L142 W175 I176 Q177 M181 D182 L183 L258 V262 I265	L135-L179 HydrophobicContact CD1-CB 4.14Å; L135-L179 HydrophobicContact CD1-CD2 3.93Å; L135-L179 HydrophobicContact CD1-CG 4.47Å; V138-L179 HydrophobicContact CG1-CD1 3.85Å; I139-L179 HydrophobicContact CD1-CB 4.03Å; I139-L179 WeakPolarHBondContact CD1-O 3.48Å; I139-L179 HydrophobicContact CG1-CB 3.67Å; I139-L179 HydrophobicContact CG1-CD1 4.42Å; L142-L179 HydrophobicContact CD1-CD1 3.68Å; W175-L179 WeakPolarHBondContact O-CG 3.42Å; W175-L179 PolarHBondContact O-N 3.42Å; I176-L179 PolarHBondContact O-N 3.08Å; Q177-L179 VanDerWaalsContact C-N 3.35Å; Q177-L179 PolarHBondContact O-N 3.24Å; L179-M181 VanDerWaalsContact C-N 3.35Å; L179-D182 PolarHBondContact O-N 3.38Å; L179-L183 WeakPolarHBondContact O-CB 3.35Å; L179-L183 PolarHBondContact O-N 3.25Å; L179-L258 HydrophobicContact CD2-CD1 3.84Å; L179-V262 HydrophobicContact CD2-CG2 4.47Å; L179-I265 HydrophobicContact CD1-CD1 3.9Å; L179-I265 HydrophobicContact CD2-CD1 4.05Å; L179-I265 HydrophobicContact CG-CD1 3.82Å
180	C	98.4	Very high	95.9	Very high	45 Å²	45	53.8 Å²	53.8	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-64.8	-39.3	172.9	-77.4	0	0	0	0	111.6	I176 Q177 D178 D182 L183 Q184	I176-C180 WeakPolarHBondContact O-CB 3.41Å; I176-C180 PolarHBondContact O-N 2.66Å; I176-C180 PolarHBondContact O-SG 3.49Å; Q177-C180 WeakPolarHBondContact O-CB 3.4Å; Q177-C180 PolarHBondContact O-N 2.64Å; D178-C180 VanDerWaalsContact C-N 3.33Å; D178-C180 PolarHBondContact O-N 3.23Å; C180-D182 VanDerWaalsContact C-N 3.32Å; C180-L183 PolarHBondContact O-N 3Å; C180-Q184 WeakPolarHBondContact O-CG 3.39Å; C180-Q184 PolarHBondContact O-N 3.49Å
181	M	98.6	Very high	95.9	Very high	96 Å²	96	51.3 Å²	51.3	47%	0.473	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-42.5	173.4	-64.3	167.3	59.6	0	0	110.7	Q177 D178 L179 Q184 N185	Q177-M181 WeakPolarHBondContact O-CG 3.26Å; Q177-M181 PolarHBondContact O-N 3.21Å; Q177-M181 VanDerWaalsContact O-N 3.1Å; D178-M181 WeakPolarHBondContact O-CB 2.98Å; D178-M181 PolarHBondContact O-N 3.18Å; D178-M181 VanDerWaalsContact O-N 3.13Å; L179-M181 VanDerWaalsContact C-N 3.35Å; M181-Q184 PolarHBondContact O-N 2.9Å; M181-N185 WeakPolarHBondContact O-CB 3.27Å; M181-N185 PolarHBondContact O-N 3.32Å; M181-N185 PolarHBondContact O-ND2 3.33Å
182	D	93.8	Very high	96	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-41.5	175.5	-64.6	-44.8	0	0	0	111.9	L135 D178 L179 C180 Q184 N185 L186 S257 L258 S261	L135-D182 HydrophobicContact CD2-CB 4.14Å; D178-D182 PolarHBondContact O-N 3.08Å; L179-D182 PolarHBondContact O-N 3.38Å; C180-D182 VanDerWaalsContact C-N 3.32Å; D182-Q184 PolarHBondContact O-N 3.32Å; D182-N185 PolarHBondContact O-N 3.35Å; D182-L186 VanDerWaalsContact O-CD1 3.27Å; D182-L186 WeakPolarHBondContact O-CD1 3.42Å; D182-L186 PolarHBondContact O-N 3.02Å; D182-S257 PolarHBondContact OD1-OG 3.37Å; D182-L258 HydrophobicContact CB-CB 4.24Å; D182-L258 HydrophobicContact CB-CD1 3.91Å; D182-L258 PolarHBondContact OD1-N 2.97Å; D182-L258 WeakPolarHBondContact OD2-CA 3.44Å; D182-S261 WeakPolarHBondContact OD2-CB 3.32Å; D182-S261 PolarHBondContact OD2-OG 3Å
183	L	95.8	Very high	96.4	Very high	48 Å²	48	55.2 Å²	55.2	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-43.9	177.5	-177.8	67.6	0	0	0	111.7	L132 L135 A136 I139 L179 C180 N185 K187	L132-L183 HydrophobicContact CD2-CD1 3.8Å; L135-L183 HydrophobicContact CB-CD1 4.38Å; L135-L183 HydrophobicContact CD2-CB 3.86Å; L135-L183 HydrophobicContact CD2-CD1 4.13Å; L135-L183 HydrophobicContact CG-CB 4.29Å; L135-L183 HydrophobicContact CG-CD1 4.24Å; A136-L183 HydrophobicContact CB-CD1 4.49Å; A136-L183 HydrophobicContact CB-CD2 4.49Å; I139-L183 HydrophobicContact CD1-CB 3.91Å; I139-L183 HydrophobicContact CD1-CD2 3.88Å; I139-L183 HydrophobicContact CD1-CG 4.43Å; L179-L183 WeakPolarHBondContact O-CB 3.35Å; L179-L183 PolarHBondContact O-N 3.25Å; C180-L183 PolarHBondContact O-N 3Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-K187 WeakPolarHBondContact O-CB 3.46Å; L183-K187 PolarHBondContact O-N 3.2Å
184	Q	98.8	Very high	96.4	Very high	137 Å²	137	56.9 Å²	56.9	64%	0.64	27%	0.271	S	S	*	.	H	α-helix	trans	-60.6	-43.9	175.1	-71.4	170.8	-41.6	0	0	111.3	C180 M181 D182 K187 R188	C180-Q184 WeakPolarHBondContact O-CG 3.39Å; C180-Q184 PolarHBondContact O-N 3.49Å; M181-Q184 PolarHBondContact O-N 2.9Å; D182-Q184 PolarHBondContact O-N 3.32Å; Q184-K187 PolarHBondContact O-N 3.22Å; Q184-R188 WeakPolarHBondContact O-CB 3.33Å; Q184-R188 PolarHBondContact O-N 3.2Å
185	N	96.9	Very high	96.5	Very high	44 Å²	44	52.8 Å²	52.8	24%	0.235	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-49	178.5	-81.2	-36.9	0	0	0	112.6	M181 D182 L183 K187 R188 V189 V254	M181-N185 WeakPolarHBondContact O-CB 3.27Å; M181-N185 PolarHBondContact O-N 3.32Å; M181-N185 PolarHBondContact O-ND2 3.33Å; D182-N185 PolarHBondContact O-N 3.35Å; L183-N185 VanDerWaalsContact C-N 3.33Å; N185-K187 VanDerWaalsContact C-N 3.28Å; N185-K187 PolarHBondContact O-N 2.79Å; N185-R188 PolarHBondContact O-N 3.02Å; N185-R188 PolarHBondContact OD1-NH2 3.01Å; N185-V189 WeakPolarHBondContact O-CG2 3.34Å; N185-V189 PolarHBondContact O-N 3.21Å; N185-V254 HydrophobicContact CB-CB 4.08Å; N185-V254 HydrophobicContact CB-CG1 3.79Å
186	L	85.6	Confident	96.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-42	177.1	-92.6	64.5	0	0	0	111.1	L128 L131 L132 L135 D182 R190 V254	L128-L186 HydrophobicContact CD2-CG 4.13Å; L131-L186 HydrophobicContact CB-CD2 4.06Å; L131-L186 HydrophobicContact CD1-CD2 4.47Å; L132-L186 HydrophobicContact CD2-CB 3.76Å; L135-L186 HydrophobicContact CD2-CD2 4.26Å; D182-L186 VanDerWaalsContact O-CD1 3.27Å; D182-L186 WeakPolarHBondContact O-CD1 3.42Å; D182-L186 PolarHBondContact O-N 3.02Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.26Å; L186-R190 PolarHBondContact O-N 3.41Å; L186-V254 HydrophobicContact CD1-CB 4.15Å; L186-V254 HydrophobicContact CD1-CG2 3.92Å
187	K	98.4	Very high	96.9	Very high	95 Å²	95	51.6 Å²	51.6	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-44.8	178.5	-176	61	164.7	77.5	0	111.7	L132 L183 Q184 N185 R190 D191	L132-K187 HydrophobicContact CD1-CD 4.22Å; L132-K187 HydrophobicContact CD2-CB 4.11Å; L183-K187 WeakPolarHBondContact O-CB 3.46Å; L183-K187 PolarHBondContact O-N 3.2Å; Q184-K187 PolarHBondContact O-N 3.22Å; N185-K187 VanDerWaalsContact C-N 3.28Å; N185-K187 PolarHBondContact O-N 2.79Å; K187-R190 PolarHBondContact O-N 3.02Å; K187-D191 IonicContact NZ-OD1 3.42Å; K187-D191 PolarHBondContact NZ-OD1 3.12Å; K187-D191 IonicContact NZ-OD2 2.68Å; K187-D191 PolarHBondContact NZ-OD2 3.1Å; K187-D191 WeakPolarHBondContact O-CB 3.1Å; K187-D191 VanDerWaalsContact O-CG 3.27Å; K187-D191 PolarHBondContact O-N 3.45Å
188	R	98.8	Very high	96.9	Very high	98 Å²	98	45.7 Å²	45.7	37%	0.37	22%	0.217	S	C	.	.	H	α-helix	trans	-58.8	-53.6	177	179.4	178.5	55.5	67.6	3.4	111	Q184 N185 R190 D191 D192 E250	Q184-R188 WeakPolarHBondContact O-CB 3.33Å; Q184-R188 PolarHBondContact O-N 3.2Å; N185-R188 PolarHBondContact O-N 3.02Å; N185-R188 PolarHBondContact OD1-NH2 3.01Å; R188-R190 VanDerWaalsContact C-N 3.29Å; R188-R190 PolarHBondContact O-N 3.13Å; R188-D191 PolarHBondContact O-N 3.1Å; R188-D191 VanDerWaalsContact O-N 3.17Å; R188-D192 VanDerWaalsContact CG-OD2 3.32Å; R188-D192 WeakPolarHBondContact CG-OD2 3.49Å; R188-D192 WeakPolarHBondContact O-CB 2.9Å; R188-D192 PolarHBondContact O-N 2.65Å; R188-E250 IonicContact CZ-OE1 3.69Å; R188-E250 IonicContact NH1-OE1 2.63Å; R188-E250 PolarHBondContact NH1-OE1 3.33Å
189	V	95.9	Very high	96.9	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-58.1	-42.7	179.2	174.7	0	0	0	0	111.4	L128 N185 L193 E250 V251 V254	L128-V189 HydrophobicContact CD1-CG1 4.11Å; N185-V189 WeakPolarHBondContact O-CG2 3.34Å; N185-V189 PolarHBondContact O-N 3.21Å; V189-L193 PolarHBondContact O-N 2.87Å; V189-L193 VanDerWaalsContact O-N 3.12Å; V189-E250 HydrophobicContact CG2-CG 3.79Å; V189-V251 HydrophobicContact CG1-CB 4.43Å; V189-V251 HydrophobicContact CG1-CG2 3.64Å; V189-V254 HydrophobicContact CG2-CG1 3.85Å; V189-V254 HydrophobicContact CG2-CG2 4.05Å
190	R	97.8	Very high	97.3	Very high	70 Å²	70	43.5 Å²	43.5	26%	0.264	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-45.5	177.3	-176.9	-84.6	-172.8	-155.8	-6.4	112.3	R125 L128 D129 L132 L186 K187 R188	R125-R190 HydrophobicContact CG-CG 4.47Å; L128-R190 HydrophobicContact CB-CB 4.07Å; L128-R190 HydrophobicContact CB-CG 4.08Å; L128-R190 HydrophobicContact CD1-CB 3.94Å; D129-R190 IonicContact OD1-CZ 2.71Å; D129-R190 IonicContact OD1-NE 2.71Å; D129-R190 PolarHBondContact OD1-NE 3.31Å; D129-R190 IonicContact OD1-NH2 2.85Å; D129-R190 PolarHBondContact OD1-NH2 3.2Å; D129-R190 IonicContact OD2-CZ 2.66Å; D129-R190 IonicContact OD2-NE 2.74Å; D129-R190 PolarHBondContact OD2-NE 2.98Å; D129-R190 IonicContact OD2-NH2 3.44Å; D129-R190 PolarHBondContact OD2-NH2 3.37Å; L132-R190 HydrophobicContact CD1-CB 4.41Å; L132-R190 HydrophobicContact CD1-CG 4.26Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.26Å; L186-R190 PolarHBondContact O-N 3.41Å; K187-R190 PolarHBondContact O-N 3.02Å; R188-R190 VanDerWaalsContact C-N 3.29Å; R188-R190 PolarHBondContact O-N 3.13Å
191	D	98.4	Very high	97.2	Very high	66 Å²	66	44.9 Å²	44.9	35%	0.353	21%	0.213	S	C	.	.	H	α-helix	trans	-73.6	-33.7	-177.2	-71.5	-19.2	0	0	0	113.1	K187 R188 L193	K187-D191 IonicContact NZ-OD1 3.42Å; K187-D191 PolarHBondContact NZ-OD1 3.12Å; K187-D191 IonicContact NZ-OD2 2.68Å; K187-D191 PolarHBondContact NZ-OD2 3.1Å; K187-D191 WeakPolarHBondContact O-CB 3.1Å; K187-D191 VanDerWaalsContact O-CG 3.27Å; K187-D191 PolarHBondContact O-N 3.45Å; R188-D191 PolarHBondContact O-N 3.1Å; R188-D191 VanDerWaalsContact O-N 3.17Å; D191-L193 VanDerWaalsContact C-N 3.33Å
192	D	98.6	Very high	97.1	Very high	95 Å²	95	43.6 Å²	43.6	51%	0.508	21%	0.21	S	C	.	.	H	α-helix	trans	-82	-13.5	-178.8	-70.2	-21.6	0	0	0	112.7	R188 R194	R188-D192 VanDerWaalsContact CG-OD2 3.32Å; R188-D192 WeakPolarHBondContact CG-OD2 3.49Å; R188-D192 WeakPolarHBondContact O-CB 2.9Å; R188-D192 PolarHBondContact O-N 2.65Å; D192-R194 WeakPolarHBondContact O-CG 2.91Å; D192-R194 PolarHBondContact O-N 3.46Å
193	L	97.9	Very high	97.3	Very high	17 Å²	17	44.2 Å²	44.2	9%	0.089	22%	0.217	C	C	.	.			trans	-58.7	123	179.4	-160	71.3	0	0	0	110.6	L121 L124 R125 V189 D191 F232 V247	L121-L193 HydrophobicContact CD2-CD1 3.98Å; L121-L193 HydrophobicContact CD2-CD2 4.37Å; L121-L193 HydrophobicContact CD2-CG 4.15Å; L124-L193 HydrophobicContact CB-CD2 4.3Å; R125-L193 HydrophobicContact CB-CD2 3.96Å; V189-L193 PolarHBondContact O-N 2.87Å; V189-L193 VanDerWaalsContact O-N 3.12Å; D191-L193 VanDerWaalsContact C-N 3.33Å; L193-F232 HydrophobicContact CB-CE1 4.36Å; L193-F232 HydrophobicContact CD2-CE1 4.05Å; L193-F232 HydrophobicContact CD2-CZ 4.33Å; L193-F232 HydrophobicContact CG-CE1 4.15Å; L193-F232 WeakPolarHBondContact O-CD1 3.33Å; L193-V247 HydrophobicContact CD1-CG1 3.52Å
194	R	98.8	Very high	97.5	Very high	93 Å²	93	46.3 Å²	46.3	35%	0.351	23%	0.232	S	C	.	.			trans	-105.8	151.4	-179.9	-54.4	-176.3	-168.1	170.2	5	110.8	L121 D192 R234 F236	L121-R194 WeakPolarHBondContact CD1-O 3.49Å; D192-R194 WeakPolarHBondContact O-CG 2.91Å; D192-R194 PolarHBondContact O-N 3.46Å; R194-R234 WeakPolarHBondContact CA-O 3.43Å; R194-R234 WeakPolarHBondContact CB-O 3.36Å; R194-R234 HydrophobicContact CG-CB 4.46Å; R194-F236 HydrophobicContact CB-CD2 3.84Å; R194-F236 HydrophobicContact CB-CE1 4.39Å; R194-F236 HydrophobicContact CB-CE2 3.65Å; R194-F236 HydrophobicContact CB-CG 4.29Å; R194-F236 HydrophobicContact CB-CZ 3.94Å; R194-F236 HydrophobicContact CG-CZ 4.46Å
195	F	98.9	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-77.5	149.2	174.6	-154.7	-127.7	0	0	0	111.5	L42 N118 I122 G197 V226 T227 A230 F232 R234 A235 F236	L42-F195 HydrophobicContact CD2-CZ 3.8Å; N118-F195 HydrophobicContact CB-CD2 4.42Å; N118-F195 HydrophobicContact CB-CE1 4.26Å; N118-F195 HydrophobicContact CB-CE2 3.51Å; N118-F195 HydrophobicContact CB-CZ 3.43Å; N118-F195 VanDerWaalsContact CB-CZ 3.43Å; N118-F195 WeakPolarHBondContact OD1-CD1 3.24Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.37Å; N118-F195 VanDerWaalsContact OD1-CE1 3.31Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.5Å; N118-F195 VanDerWaalsContact OD1-CE2 3.25Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.32Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.4Å; I122-F195 HydrophobicContact CD1-CE2 4.25Å; I122-F195 HydrophobicContact CG1-CE2 4.26Å; F195-G197 VanDerWaalsContact CD1-N 3.33Å; F195-V226 HydrophobicContact CE1-CG2 4.36Å; F195-T227 HydrophobicContact CB-CG2 3.94Å; F195-T227 HydrophobicContact CD1-CG2 4.39Å; F195-A230 HydrophobicContact CD2-CB 4.28Å; F195-A230 HydrophobicContact CE1-CB 3.95Å; F195-A230 HydrophobicContact CE2-CB 3.7Å; F195-A230 HydrophobicContact CZ-CB 3.49Å; F195-A230 VanDerWaalsContact CZ-CB 3.49Å; F195-F232 HydrophobicContact CB-CB 3.78Å; F195-F232 HydrophobicContact CB-CD1 4.1Å; F195-F232 HydrophobicContact CB-CD2 4.14Å; F195-F232 HydrophobicContact CB-CG 3.75Å; F195-F232 HydrophobicContact CD2-CD1 4.46Å; F195-F232 AromaticContact CD2-CD2 3.4Å; F195-F232 HydrophobicContact CD2-CD2 3.4Å; F195-F232 VanDerWaalsContact CD2-CD2 3.4Å; F195-F232 AromaticContact CD2-CE2 3.54Å; F195-F232 HydrophobicContact CD2-CE2 3.54Å; F195-F232 AromaticContact CD2-CG 3.91Å; F195-F232 HydrophobicContact CD2-CG 3.91Å; F195-F232 HydrophobicContact CD2-CZ 4.14Å; F195-F232 HydrophobicContact CE2-CD2 4Å; F195-F232 AromaticContact CE2-CE2 3.97Å; F195-F232 HydrophobicContact CE2-CE2 3.97Å; F195-F232 HydrophobicContact CG-CB 4.33Å; F195-F232 AromaticContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CG 4.12Å; F195-R234 PolarHBondContact N-O 2.99Å; F195-A235 HydrophobicContact CB-CB 4.46Å; F195-A235 CarbonylContact O-C 3.48Å; F195-A235 WeakPolarHBondContact O-CA 3.43Å; F195-F236 WeakPolarHBondContact O-CD2 3.32Å; F195-F236 PolarHBondContact O-N 3.45Å
196	R	98.8	Very high	97.5	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	22%	0.221	C	C	.	.			trans	-73.5	-46.2	169.7	174.6	-169.3	176.4	-82.2	2.7	109.9	N118 L121 K199 G200 Q241	N118-R196 VanDerWaalsContact OD1-CB 3.3Å; N118-R196 WeakPolarHBondContact OD1-CB 3.46Å; N118-R196 PolarHBondContact OD1-N 3.46Å; L121-R196 HydrophobicContact CD1-CB 4.07Å; R196-K199 HydrophobicContact CG-CG 4.24Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.48Å; R196-K199 PolarHBondContact O-NZ 3.23Å; R196-G200 PolarHBondContact NH2-O 3.47Å; R196-Q241 VanDerWaalsContact CZ-O 3.23Å; R196-Q241 PolarHBondContact NE-O 3.26Å; R196-Q241 PolarHBondContact NH2-O 3.24Å
197	G	98.6	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.			trans	73.1	-148.8	-176.8	0	0	0	0	0	113	N118 F195 D223	N118-G197 PolarHBondContact ND2-O 3.39Å; N118-G197 VanDerWaalsContact ND2-O 3.09Å; N118-G197 PolarHBondContact OD1-N 3.45Å; F195-G197 VanDerWaalsContact CD1-N 3.33Å; G197-D223 VanDerWaalsContact CA-OD1 3.22Å; G197-D223 WeakPolarHBondContact CA-OD1 3.28Å
198	V	98.4	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-97.6	111.1	177.3	-63.8	0	0	0	0	109.9	L46 Y114 Q205 F208 L222 D223 V226	L46-V198 HydrophobicContact CD1-CG1 3.83Å; Y114-V198 HydrophobicContact CD2-CG1 3.89Å; Y114-V198 HydrophobicContact CE2-CG1 3.71Å; V198-Q205 WeakPolarHBondContact O-CG 3.41Å; V198-Q205 PolarHBondContact O-NE2 3.38Å; V198-F208 HydrophobicContact CB-CD2 4.04Å; V198-F208 HydrophobicContact CB-CE1 4.5Å; V198-F208 HydrophobicContact CB-CE2 3.59Å; V198-F208 HydrophobicContact CB-CZ 3.82Å; V198-F208 HydrophobicContact CG1-CE1 4.39Å; V198-F208 HydrophobicContact CG1-CE2 4.15Å; V198-F208 HydrophobicContact CG1-CZ 3.85Å; V198-F208 HydrophobicContact CG2-CD2 4.46Å; V198-F208 HydrophobicContact CG2-CE2 4.45Å; V198-L222 HydrophobicContact CG1-CD2 4.3Å; V198-L222 HydrophobicContact CG1-CG 4.29Å; V198-L222 HydrophobicContact CG2-CB 4.32Å; V198-L222 HydrophobicContact CG2-CD2 4.05Å; V198-L222 HydrophobicContact CG2-CG 3.93Å; V198-D223 HydrophobicContact CG2-CB 3.73Å; V198-D223 PolarHBondContact N-OD1 3.3Å; V198-V226 HydrophobicContact CG1-CG2 4.11Å
199	K	98.6	Very high	98.1	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.21	C	C	.	.			trans	-128.3	-3.7	-172.8	-64.4	-66.4	-179	-59.9	0	114.8	R196 G203 T204 Q205 D223 F236 T239	R196-K199 HydrophobicContact CG-CG 4.24Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.48Å; R196-K199 PolarHBondContact O-NZ 3.23Å; K199-G203 CarbonylContact O-C 3.47Å; K199-G203 WeakPolarHBondContact O-CA 3.17Å; K199-G203 PolarHBondContact O-N 3.08Å; K199-T204 PolarHBondContact O-N 3.32Å; K199-Q205 HydrophobicContact CD-CG 4.29Å; K199-Q205 PolarHBondContact O-N 3.32Å; K199-D223 IonicContact NZ-OD1 3.58Å; K199-D223 PolarHBondContact NZ-OD1 2.88Å; K199-D223 IonicContact NZ-OD2 3.32Å; K199-D223 PolarHBondContact NZ-OD2 3.48Å; K199-F236 WeakPolarHBondContact CE-O 3.37Å; K199-F236 PolarHBondContact NZ-O 2.94Å; K199-F236 VanDerWaalsContact NZ-O 3.1Å; K199-T239 WeakPolarHBondContact CB-OG1 3.45Å; K199-T239 HydrophobicContact CD-CG2 4.48Å; K199-T239 HydrophobicContact CG-CG2 4.18Å; K199-T239 WeakPolarHBondContact CG-OG1 3.44Å
200	G	96.9	Very high	98.2	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	-169.1	-171.7	0	0	0	0	0	112.7	T111 R196	T111-G200 VanDerWaalsContact CG2-O 3.26Å; T111-G200 WeakPolarHBondContact CG2-O 3.46Å; R196-G200 PolarHBondContact NH2-O 3.47Å
201	T	96.1	Very high	98.2	Very high	75 Å²	75	44.2 Å²	44.2	46%	0.46	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-29.9	-171.7	-55.7	0	0	0	0	113.9	Q241	T201-Q241 WeakPolarHBondContact O-CA 3.49Å; T201-Q241 WeakPolarHBondContact O-CB 3.27Å; T201-Q241 WeakPolarHBondContact O-CG 3.24Å; T201-Q241 PolarHBondContact O-NE2 3.17Å
202	T	98.1	Very high	98.2	Very high	68 Å²	68	41.7 Å²	41.7	42%	0.417	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	14.7	-176.1	50.2	0	0	0	0	113	G240 E328	T202-G240 CarbonylContact C-O 3.47Å; T202-E328 HydrophobicContact CG2-CG 4.49Å
203	G	98	Very high	98.2	Very high	14 Å²	14	46.1 Å²	46.1	14%	0.144	25%	0.249	C	C	.	.	S	Bend	trans	90.8	-7.7	176.7	0	0	0	0	0	115.4	K199 T239 G240	K199-G203 CarbonylContact O-C 3.47Å; K199-G203 WeakPolarHBondContact O-CA 3.17Å; K199-G203 PolarHBondContact O-N 3.08Å; G203-T239 WeakPolarHBondContact CA-O 3.34Å; G203-G240 WeakPolarHBondContact CA-O 3.42Å; G203-G240 PolarHBondContact N-O 3.2Å; G203-G240 VanDerWaalsContact N-O 3.14Å
204	T	98.3	Very high	98.2	Very high	93 Å²	93	47.4 Å²	47.4	57%	0.571	27%	0.266	S	S	*	.	S	Bend	trans	-88.6	-5.4	-173.7	62.7	0	0	0	0	114.6	K199 A206	K199-T204 PolarHBondContact O-N 3.32Å; T204-A206 PolarHBondContact O-N 2.87Å
205	Q	98.4	Very high	98.2	Very high	41 Å²	41	46.1 Å²	46.1	19%	0.192	27%	0.266	C	S	.	.			trans	59	14	-178.1	-59.8	167	-53.7	0	0	115.5	V198 K199 S207 F208 L209 V219	V198-Q205 WeakPolarHBondContact O-CG 3.41Å; V198-Q205 PolarHBondContact O-NE2 3.38Å; K199-Q205 HydrophobicContact CD-CG 4.29Å; K199-Q205 PolarHBondContact O-N 3.32Å; Q205-S207 VanDerWaalsContact C-N 3.25Å; Q205-S207 PolarHBondContact O-N 2.88Å; Q205-S207 VanDerWaalsContact O-N 3.09Å; Q205-F208 PolarHBondContact O-N 3.03Å; Q205-L209 PolarHBondContact O-N 3.47Å; Q205-V219 HydrophobicContact CB-CG1 3.7Å; Q205-V219 HydrophobicContact CG-CG1 4.1Å
206	A	98.2	Very high	98.1	Very high	54 Å²	54	51.1 Å²	51.1	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-54.3	-36.3	-173.3	0	0	0	0	0	114.5	T204 L209 Q210	T204-A206 PolarHBondContact O-N 2.87Å; A206-L209 PolarHBondContact O-N 3.42Å; A206-Q210 WeakPolarHBondContact O-CB 3.27Å; A206-Q210 PolarHBondContact O-N 3.04Å
207	S	98	Very high	98.1	Very high	39 Å²	39	56.3 Å²	56.3	27%	0.273	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-42	176.1	50.4	0	0	0	0	112.6	G109 Q205 L211	G109-S207 VanDerWaalsContact O-CB 3.29Å; G109-S207 WeakPolarHBondContact O-CB 3.36Å; G109-S207 PolarHBondContact O-OG 2.85Å; Q205-S207 VanDerWaalsContact C-N 3.25Å; Q205-S207 PolarHBondContact O-N 2.88Å; Q205-S207 VanDerWaalsContact O-N 3.09Å; S207-L211 WeakPolarHBondContact O-CG 3.15Å; S207-L211 PolarHBondContact O-N 3.42Å; S207-L211 VanDerWaalsContact O-N 3.11Å
208	F	98.4	Very high	98.1	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-72.8	-39	176.1	-65.2	-71.7	0	0	0	111.5	L46 G109 A110 V198 Q205 Q210 L211 F212 V219 L222	L46-F208 HydrophobicContact CD1-CE1 4.14Å; L46-F208 HydrophobicContact CD1-CZ 4.42Å; G109-F208 VanDerWaalsContact C-CZ 3.4Å; G109-F208 VanDerWaalsContact O-CE2 3.27Å; G109-F208 WeakPolarHBondContact O-CE2 3.49Å; G109-F208 VanDerWaalsContact O-CZ 3.28Å; G109-F208 WeakPolarHBondContact O-CZ 3.5Å; A110-F208 HydrophobicContact CB-CZ 4.07Å; V198-F208 HydrophobicContact CB-CD2 4.04Å; V198-F208 HydrophobicContact CB-CE1 4.5Å; V198-F208 HydrophobicContact CB-CE2 3.59Å; V198-F208 HydrophobicContact CB-CZ 3.82Å; V198-F208 HydrophobicContact CG1-CE1 4.39Å; V198-F208 HydrophobicContact CG1-CE2 4.15Å; V198-F208 HydrophobicContact CG1-CZ 3.85Å; V198-F208 HydrophobicContact CG2-CD2 4.46Å; V198-F208 HydrophobicContact CG2-CE2 4.45Å; Q205-F208 PolarHBondContact O-N 3.03Å; F208-Q210 VanDerWaalsContact C-N 3.26Å; F208-Q210 PolarHBondContact O-N 3.04Å; F208-L211 HydrophobicContact CD1-CD1 4.25Å; F208-L211 WeakPolarHBondContact O-CB 3.27Å; F208-L211 PolarHBondContact O-N 3.33Å; F208-L211 VanDerWaalsContact O-N 3.14Å; F208-F212 WeakPolarHBondContact O-CD2 3.33Å; F208-F212 PolarHBondContact O-N 3.32Å; F208-V219 HydrophobicContact CB-CG1 4.3Å; F208-V219 HydrophobicContact CB-CG2 4.21Å; F208-L222 HydrophobicContact CD1-CD2 3.49Å; F208-L222 VanDerWaalsContact CD1-CD2 3.49Å; F208-L222 HydrophobicContact CE1-CD2 3.76Å; F208-L222 HydrophobicContact CG-CD2 4.16Å
209	L	98.4	Very high	98.1	Very high	56 Å²	56	59.8 Å²	59.8	29%	0.293	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-41.1	174.8	-173.2	66	0	0	0	111.3	Q205 A206 F212 E213 G214 V219	Q205-L209 PolarHBondContact O-N 3.47Å; A206-L209 PolarHBondContact O-N 3.42Å; L209-F212 CarbonylContact O-C 3.55Å; L209-F212 PolarHBondContact O-N 3.04Å; L209-E213 PolarHBondContact O-N 2.72Å; L209-G214 PolarHBondContact O-N 3.15Å; L209-V219 HydrophobicContact CB-CG2 4.2Å; L209-V219 HydrophobicContact CD1-CG2 4.14Å
210	Q	98.3	Very high	98.1	Very high	162 Å²	162	65.7 Å²	65.7	76%	0.757	36%	0.36	S	S	*	.	H	α-helix	trans	-65.5	-41.7	174.5	-174.5	178.7	-4.8	0	0	112.4	A206 F208 F212 E213	A206-Q210 WeakPolarHBondContact O-CB 3.27Å; A206-Q210 PolarHBondContact O-N 3.04Å; F208-Q210 VanDerWaalsContact C-N 3.26Å; F208-Q210 PolarHBondContact O-N 3.04Å; Q210-F212 PolarHBondContact O-N 2.91Å; Q210-E213 PolarHBondContact O-N 3.16Å; Q210-E213 VanDerWaalsContact O-N 3.17Å
211	L	97.7	Very high	98.2	Very high	51 Å²	51	69.2 Å²	69.2	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-33	176.5	-76.5	171.9	0	0	0	112.8	L55 L108 S207 F208 E213	L55-L211 HydrophobicContact CD1-CB 4.49Å; L108-L211 HydrophobicContact CD1-CD1 4.48Å; L108-L211 HydrophobicContact CD1-CD2 4.09Å; L108-L211 HydrophobicContact CG-CD1 3.97Å; L108-L211 HydrophobicContact CG-CD2 4.22Å; S207-L211 WeakPolarHBondContact O-CG 3.15Å; S207-L211 PolarHBondContact O-N 3.42Å; S207-L211 VanDerWaalsContact O-N 3.11Å; F208-L211 HydrophobicContact CD1-CD1 4.25Å; F208-L211 WeakPolarHBondContact O-CB 3.27Å; F208-L211 PolarHBondContact O-N 3.33Å; F208-L211 VanDerWaalsContact O-N 3.14Å; L211-E213 VanDerWaalsContact C-N 3.34Å
212	F	98.5	Very high	98.4	Very high	12 Å²	12	65.6 Å²	65.6	5%	0.053	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	22.6	177.1	-63.2	-61.5	0	0	0	113.2	L53 L55 F208 L209 Q210 G214 D215 K218 V219 L222	L53-F212 HydrophobicContact CB-CE1 3.77Å; L53-F212 HydrophobicContact CB-CZ 4.04Å; L53-F212 HydrophobicContact CD1-CE1 4.46Å; L53-F212 HydrophobicContact CD1-CZ 3.94Å; L55-F212 HydrophobicContact CD1-CE1 3.81Å; L55-F212 HydrophobicContact CD1-CZ 3.92Å; L55-F212 HydrophobicContact CD2-CD1 4.36Å; L55-F212 HydrophobicContact CD2-CE1 4.22Å; L55-F212 HydrophobicContact CG-CD1 4.32Å; L55-F212 HydrophobicContact CG-CE1 3.69Å; L55-F212 HydrophobicContact CG-CZ 4.3Å; F208-F212 WeakPolarHBondContact O-CD2 3.33Å; F208-F212 PolarHBondContact O-N 3.32Å; L209-F212 CarbonylContact O-C 3.55Å; L209-F212 PolarHBondContact O-N 3.04Å; Q210-F212 PolarHBondContact O-N 2.91Å; F212-G214 PolarHBondContact O-N 2.59Å; F212-G214 VanDerWaalsContact O-N 3.08Å; F212-D215 HydrophobicContact CB-CB 4.28Å; F212-D215 VanDerWaalsContact O-CB 3.28Å; F212-D215 WeakPolarHBondContact O-CB 3.48Å; F212-D215 PolarHBondContact O-N 2.81Å; F212-K218 HydrophobicContact CB-CB 4.07Å; F212-K218 HydrophobicContact CB-CD 4.28Å; F212-K218 HydrophobicContact CD1-CB 3.92Å; F212-K218 HydrophobicContact CD1-CD 3.64Å; F212-K218 HydrophobicContact CD1-CG 4.43Å; F212-K218 HydrophobicContact CD2-CB 4.02Å; F212-K218 HydrophobicContact CE1-CB 4.32Å; F212-K218 HydrophobicContact CE1-CD 4.22Å; F212-K218 HydrophobicContact CE2-CB 4.43Å; F212-K218 HydrophobicContact CG-CB 3.75Å; F212-K218 HydrophobicContact CG-CD 4.14Å; F212-V219 HydrophobicContact CD2-CG2 3.89Å; F212-L222 HydrophobicContact CE2-CB 4.34Å; F212-L222 HydrophobicContact CE2-CD2 3.82Å; F212-L222 HydrophobicContact CZ-CD2 4.18Å
213	E	98.2	Very high	98.4	Very high	189 Å²	189	63.3 Å²	63.3	88%	0.883	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31.4	172.5	-57.7	177.6	-163.1	0	0	114.2	L209 Q210 L211	L209-E213 PolarHBondContact O-N 2.72Å; Q210-E213 PolarHBondContact O-N 3.16Å; Q210-E213 VanDerWaalsContact O-N 3.17Å; L211-E213 VanDerWaalsContact C-N 3.34Å
214	G	97.9	Very high	98.4	Very high	44 Å²	44	68.8 Å²	68.8	45%	0.454	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	9.3	-179.1	0	0	0	0	0	115.3	L209 F212 D216	L209-G214 PolarHBondContact O-N 3.15Å; F212-G214 PolarHBondContact O-N 2.59Å; F212-G214 VanDerWaalsContact O-N 3.08Å; G214-D216 PolarHBondContact O-N 3.36Å
215	D	98.5	Very high	98.5	Very high	65 Å²	65	66.3 Å²	66.3	35%	0.348	34%	0.341	S	S	.	.			trans	-81.8	94.6	176.8	-171.2	-22.9	0	0	0	111.7	F212 H217 K218 V219	F212-D215 HydrophobicContact CB-CB 4.28Å; F212-D215 VanDerWaalsContact O-CB 3.28Å; F212-D215 WeakPolarHBondContact O-CB 3.48Å; F212-D215 PolarHBondContact O-N 2.81Å; D215-H217 PolarHBondContact O-N 2.92Å; D215-H217 WeakPolarHBondContact OD1-CA 3.49Å; D215-H217 VanDerWaalsContact OD1-CB 3.31Å; D215-H217 WeakPolarHBondContact OD1-CB 3.03Å; D215-H217 PolarHBondContact OD1-N 3.42Å; D215-K218 HydrophobicContact CB-CB 4.33Å; D215-K218 HydrophobicContact CB-CD 4.34Å; D215-K218 HydrophobicContact CB-CG 4.33Å; D215-K218 PolarHBondContact O-N 3.23Å; D215-K218 PolarHBondContact OD1-N 3.38Å; D215-K218 VanDerWaalsContact OD1-N 3.15Å; D215-K218 WeakPolarHBondContact OD2-CG 3.29Å; D215-V219 PolarHBondContact O-N 3.4Å
216	D	98.4	Very high	98.5	Very high	105 Å²	105	64.4 Å²	64.4	56%	0.561	33%	0.333	S	S	*	.	H	α-helix	trans	-55.6	-36	176	-67	-77.9	0	0	0	112.6	G214 K218 V219 E220	G214-D216 PolarHBondContact O-N 3.36Å; D216-K218 PolarHBondContact O-N 3.32Å; D216-V219 WeakPolarHBondContact O-CB 3.28Å; D216-V219 PolarHBondContact O-N 2.9Å; D216-V219 VanDerWaalsContact O-N 3.16Å; D216-E220 PolarHBondContact O-N 3.3Å
217	H	98.6	Very high	98.5	Very high	110 Å²	110	62.1 Å²	62.1	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-39.6	-175.9	-171.5	53.7	0	0	0	111.6	D215 V219 E220 Q221	D215-H217 PolarHBondContact O-N 2.92Å; D215-H217 WeakPolarHBondContact OD1-CA 3.49Å; D215-H217 VanDerWaalsContact OD1-CB 3.31Å; D215-H217 WeakPolarHBondContact OD1-CB 3.03Å; D215-H217 PolarHBondContact OD1-N 3.42Å; H217-V219 VanDerWaalsContact C-N 3.33Å; H217-E220 PolarHBondContact O-N 3.27Å; H217-Q221 PolarHBondContact CD2-NE2 3.46Å; H217-Q221 VanDerWaalsContact CD2-NE2 3.32Å; H217-Q221 PolarHBondContact NE2-NE2 2.91Å; H217-Q221 WeakPolarHBondContact O-CB 3.42Å; H217-Q221 WeakPolarHBondContact O-CG 3.23Å; H217-Q221 PolarHBondContact O-N 2.86Å
218	K	98.6	Very high	98.6	Very high	69 Å²	69	65.7 Å²	65.7	30%	0.3	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-36.8	173.9	-74.7	-173.8	-178.5	-165.3	0	112.5	L53 F212 D215 D216 Q221 L222	L53-K218 WeakPolarHBondContact CD1-O 3.36Å; L53-K218 HydrophobicContact CD2-CG 4.47Å; L53-K218 WeakPolarHBondContact O-CE 3.38Å; L53-K218 PolarHBondContact O-NZ 3.41Å; F212-K218 HydrophobicContact CB-CB 4.07Å; F212-K218 HydrophobicContact CB-CD 4.28Å; F212-K218 HydrophobicContact CD1-CB 3.92Å; F212-K218 HydrophobicContact CD1-CD 3.64Å; F212-K218 HydrophobicContact CD1-CG 4.43Å; F212-K218 HydrophobicContact CD2-CB 4.02Å; F212-K218 HydrophobicContact CE1-CB 4.32Å; F212-K218 HydrophobicContact CE1-CD 4.22Å; F212-K218 HydrophobicContact CE2-CB 4.43Å; F212-K218 HydrophobicContact CG-CB 3.75Å; F212-K218 HydrophobicContact CG-CD 4.14Å; D215-K218 HydrophobicContact CB-CB 4.33Å; D215-K218 HydrophobicContact CB-CD 4.34Å; D215-K218 HydrophobicContact CB-CG 4.33Å; D215-K218 PolarHBondContact O-N 3.23Å; D215-K218 PolarHBondContact OD1-N 3.38Å; D215-K218 VanDerWaalsContact OD1-N 3.15Å; D215-K218 WeakPolarHBondContact OD2-CG 3.29Å; D216-K218 PolarHBondContact O-N 3.32Å; K218-Q221 PolarHBondContact O-N 3.22Å; K218-L222 WeakPolarHBondContact O-CB 3.5Å; K218-L222 PolarHBondContact O-N 2.96Å
219	V	98.8	Very high	98.6	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-45.8	175.4	178.7	0	0	0	0	110.8	Q205 F208 L209 F212 D215 D216 H217 L222 D223	Q205-V219 HydrophobicContact CB-CG1 3.7Å; Q205-V219 HydrophobicContact CG-CG1 4.1Å; F208-V219 HydrophobicContact CB-CG1 4.3Å; F208-V219 HydrophobicContact CB-CG2 4.21Å; L209-V219 HydrophobicContact CB-CG2 4.2Å; L209-V219 HydrophobicContact CD1-CG2 4.14Å; F212-V219 HydrophobicContact CD2-CG2 3.89Å; D215-V219 PolarHBondContact O-N 3.4Å; D216-V219 WeakPolarHBondContact O-CB 3.28Å; D216-V219 PolarHBondContact O-N 2.9Å; D216-V219 VanDerWaalsContact O-N 3.16Å; H217-V219 VanDerWaalsContact C-N 3.33Å; V219-L222 PolarHBondContact O-N 3.22Å; V219-D223 PolarHBondContact O-N 2.98Å; V219-D223 VanDerWaalsContact O-N 3.13Å
220	E	98.7	Very high	98.6	Very high	126 Å²	126	66.8 Å²	66.8	59%	0.589	33%	0.329	S	S	*	.	H	α-helix	trans	-63	-41.3	175.8	-70.2	-175.2	-98.3	0	0	112.3	D216 H217 D223 K224	D216-E220 PolarHBondContact O-N 3.3Å; H217-E220 PolarHBondContact O-N 3.27Å; E220-D223 PolarHBondContact O-N 3.47Å; E220-K224 WeakPolarHBondContact O-CB 3.33Å; E220-K224 PolarHBondContact O-N 2.73Å
221	Q	98.8	Very high	98.6	Very high	75 Å²	75	61.6 Å²	61.6	35%	0.35	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-42.7	175.6	-74.8	-167.9	15.5	0	0	111.9	L53 H217 K218 D223 K224 M225	L53-Q221 HydrophobicContact CD1-CB 4.44Å; L53-Q221 HydrophobicContact CD2-CB 3.87Å; H217-Q221 PolarHBondContact CD2-NE2 3.46Å; H217-Q221 VanDerWaalsContact CD2-NE2 3.32Å; H217-Q221 PolarHBondContact NE2-NE2 2.91Å; H217-Q221 WeakPolarHBondContact O-CB 3.42Å; H217-Q221 WeakPolarHBondContact O-CG 3.23Å; H217-Q221 PolarHBondContact O-N 2.86Å; K218-Q221 PolarHBondContact O-N 3.22Å; Q221-D223 VanDerWaalsContact C-N 3.31Å; Q221-D223 PolarHBondContact O-N 3.47Å; Q221-K224 PolarHBondContact O-N 3.01Å; Q221-M225 WeakPolarHBondContact O-CB 3.38Å; Q221-M225 VanDerWaalsContact O-CG 3.22Å; Q221-M225 WeakPolarHBondContact O-CG 3.42Å; Q221-M225 PolarHBondContact O-N 2.98Å
222	L	98.9	Very high	98.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.1	-47.5	177	-178.7	60.5	0	0	0	110.6	L46 A49 E50 L53 V198 F208 F212 K218 V219 K224 M225 V226	L46-L222 HydrophobicContact CD1-CD1 4.21Å; L46-L222 HydrophobicContact CD1-CD2 4.24Å; A49-L222 HydrophobicContact CB-CD1 3.47Å; A49-L222 VanDerWaalsContact CB-CD1 3.47Å; E50-L222 HydrophobicContact CG-CD1 3.95Å; E50-L222 HydrophobicContact CG-CD2 4.23Å; L53-L222 HydrophobicContact CD1-CB 3.59Å; L53-L222 HydrophobicContact CD1-CD1 4.06Å; L53-L222 HydrophobicContact CD1-CG 4.39Å; V198-L222 HydrophobicContact CG1-CD2 4.3Å; V198-L222 HydrophobicContact CG1-CG 4.29Å; V198-L222 HydrophobicContact CG2-CB 4.32Å; V198-L222 HydrophobicContact CG2-CD2 4.05Å; V198-L222 HydrophobicContact CG2-CG 3.93Å; F208-L222 HydrophobicContact CD1-CD2 3.49Å; F208-L222 VanDerWaalsContact CD1-CD2 3.49Å; F208-L222 HydrophobicContact CE1-CD2 3.76Å; F208-L222 HydrophobicContact CG-CD2 4.16Å; F212-L222 HydrophobicContact CE2-CB 4.34Å; F212-L222 HydrophobicContact CE2-CD2 3.82Å; F212-L222 HydrophobicContact CZ-CD2 4.18Å; K218-L222 WeakPolarHBondContact O-CB 3.5Å; K218-L222 PolarHBondContact O-N 2.96Å; V219-L222 PolarHBondContact O-N 3.22Å; L222-K224 PolarHBondContact O-N 3.41Å; L222-M225 PolarHBondContact O-N 3.44Å; L222-V226 HydrophobicContact CD1-CG1 4.28Å; L222-V226 WeakPolarHBondContact O-CG2 3.19Å; L222-V226 PolarHBondContact O-N 2.71Å
223	D	98.9	Very high	98.6	Very high	20 Å²	20	68.4 Å²	68.4	11%	0.107	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-43.1	178.6	-165.1	49.2	0	0	0	112.6	G197 V198 K199 V219 E220 Q221 V226 T227	G197-D223 VanDerWaalsContact CA-OD1 3.22Å; G197-D223 WeakPolarHBondContact CA-OD1 3.28Å; V198-D223 HydrophobicContact CG2-CB 3.73Å; V198-D223 PolarHBondContact N-OD1 3.3Å; K199-D223 IonicContact NZ-OD1 3.58Å; K199-D223 PolarHBondContact NZ-OD1 2.88Å; K199-D223 IonicContact NZ-OD2 3.32Å; K199-D223 PolarHBondContact NZ-OD2 3.48Å; V219-D223 PolarHBondContact O-N 2.98Å; V219-D223 VanDerWaalsContact O-N 3.13Å; E220-D223 PolarHBondContact O-N 3.47Å; Q221-D223 VanDerWaalsContact C-N 3.31Å; Q221-D223 PolarHBondContact O-N 3.47Å; D223-V226 WeakPolarHBondContact O-CG2 3.18Å; D223-T227 VanDerWaalsContact O-CB 3.27Å; D223-T227 WeakPolarHBondContact O-CB 3.27Å; D223-T227 PolarHBondContact O-N 2.83Å; D223-T227 PolarHBondContact O-OG1 3.06Å
224	K	98.9	Very high	98.6	Very high	129 Å²	129	66.1 Å²	66.1	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-62.9	-47.9	175.3	-177.2	178.4	172.8	-175.9	0	111.7	E220 Q221 L222 T227 E228	E220-K224 WeakPolarHBondContact O-CB 3.33Å; E220-K224 PolarHBondContact O-N 2.73Å; Q221-K224 PolarHBondContact O-N 3.01Å; L222-K224 PolarHBondContact O-N 3.41Å; K224-T227 WeakPolarHBondContact O-CB 3.39Å; K224-T227 PolarHBondContact O-N 3.08Å; K224-E228 WeakPolarHBondContact CE-OE1 3.43Å; K224-E228 HydrophobicContact CG-CG 4.49Å; K224-E228 WeakPolarHBondContact CG-OE1 3.41Å; K224-E228 IonicContact NZ-OE1 3.33Å; K224-E228 WeakPolarHBondContact O-CG 3.46Å; K224-E228 PolarHBondContact O-N 3.09Å
225	M	98.9	Very high	98.7	Very high	40 Å²	40	64.8 Å²	64.8	20%	0.197	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-46.1	-176.8	-72.6	177.4	74.5	0	0	112.5	A49 T52 L53 Q221 L222 T227 E228 K229	A49-M225 HydrophobicContact CB-CB 3.93Å; A49-M225 HydrophobicContact CB-CE 3.99Å; A49-M225 HydrophobicContact CB-SD 4.22Å; T52-M225 HydrophobicContact CG2-CE 3.75Å; L53-M225 HydrophobicContact CD1-SD 4.35Å; L53-M225 HydrophobicContact CD2-SD 4.33Å; L53-M225 HydrophobicContact CG-SD 4.23Å; Q221-M225 WeakPolarHBondContact O-CB 3.38Å; Q221-M225 VanDerWaalsContact O-CG 3.22Å; Q221-M225 WeakPolarHBondContact O-CG 3.42Å; Q221-M225 PolarHBondContact O-N 2.98Å; L222-M225 PolarHBondContact O-N 3.44Å; M225-T227 VanDerWaalsContact C-N 3.28Å; M225-T227 PolarHBondContact O-N 3.05Å; M225-E228 PolarHBondContact O-N 2.96Å; M225-K229 WeakPolarHBondContact O-CB 3.32Å; M225-K229 VanDerWaalsContact O-CG 3.31Å; M225-K229 WeakPolarHBondContact O-CG 2.77Å; M225-K229 PolarHBondContact O-N 3.01Å
226	V	98.9	Very high	98.7	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-32.7	178	-59.2	0	0	0	0	111.8	L46 A49 F195 V198 L222 D223 A230	L46-V226 HydrophobicContact CD1-CG1 4.48Å; A49-V226 HydrophobicContact CB-CG1 4.2Å; F195-V226 HydrophobicContact CE1-CG2 4.36Å; V198-V226 HydrophobicContact CG1-CG2 4.11Å; L222-V226 HydrophobicContact CD1-CG1 4.28Å; L222-V226 WeakPolarHBondContact O-CG2 3.19Å; L222-V226 PolarHBondContact O-N 2.71Å; D223-V226 WeakPolarHBondContact O-CG2 3.18Å; V226-A230 WeakPolarHBondContact O-CB 3.43Å; V226-A230 PolarHBondContact O-N 3.27Å
227	T	98.9	Very high	98.7	Very high	6 Å²	6	64.4 Å²	64.4	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-45.5	176.4	-62.6	0	0	0	0	111.4	F195 D223 K224 M225 A230 G231 F232 A235	F195-T227 HydrophobicContact CB-CG2 3.94Å; F195-T227 HydrophobicContact CD1-CG2 4.39Å; D223-T227 VanDerWaalsContact O-CB 3.27Å; D223-T227 WeakPolarHBondContact O-CB 3.27Å; D223-T227 PolarHBondContact O-N 2.83Å; D223-T227 PolarHBondContact O-OG1 3.06Å; K224-T227 WeakPolarHBondContact O-CB 3.39Å; K224-T227 PolarHBondContact O-N 3.08Å; M225-T227 VanDerWaalsContact C-N 3.28Å; M225-T227 PolarHBondContact O-N 3.05Å; T227-A230 PolarHBondContact O-N 3.3Å; T227-G231 PolarHBondContact O-N 2.54Å; T227-F232 HydrophobicContact CG2-CB 3.82Å; T227-F232 PolarHBondContact O-N 3.19Å; T227-A235 HydrophobicContact CG2-CB 4.06Å
228	E	98.8	Very high	98.7	Very high	115 Å²	115	66.1 Å²	66.1	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-44.9	176.6	-73.2	176	-178.1	0	0	111.6	K224 M225 A230 G231	K224-E228 WeakPolarHBondContact CE-OE1 3.43Å; K224-E228 HydrophobicContact CG-CG 4.49Å; K224-E228 WeakPolarHBondContact CG-OE1 3.41Å; K224-E228 IonicContact NZ-OE1 3.33Å; K224-E228 WeakPolarHBondContact O-CG 3.46Å; K224-E228 PolarHBondContact O-N 3.09Å; M225-E228 PolarHBondContact O-N 2.96Å; E228-A230 VanDerWaalsContact C-N 3.26Å; E228-A230 PolarHBondContact O-N 3.42Å; E228-G231 WeakPolarHBondContact O-CA 3.42Å; E228-G231 PolarHBondContact O-N 3Å
229	K	98.8	Very high	98.7	Very high	77 Å²	77	63.9 Å²	63.9	34%	0.335	31%	0.312	S	S	.	.	H	α-helix	trans	-59.1	-36.2	175.2	-75	173	179.3	-75.8	0	112.4	W45 E48 M225 G231	W45-K229 HydrophobicContact CB-CB 4.22Å; W45-K229 HydrophobicContact CB-CD 3.79Å; W45-K229 HydrophobicContact CD2-CB 3.84Å; W45-K229 HydrophobicContact CE3-CB 4.4Å; W45-K229 HydrophobicContact CG-CB 3.74Å; W45-K229 HydrophobicContact CG-CD 3.9Å; W45-K229 HydrophobicContact CG-CG 4.37Å; W45-K229 WeakPolarHBondContact CZ2-O 3.43Å; E48-K229 IonicContact OE2-NZ 3.99Å; E48-K229 PolarHBondContact OE2-NZ 2.69Å; M225-K229 WeakPolarHBondContact O-CB 3.32Å; M225-K229 VanDerWaalsContact O-CG 3.31Å; M225-K229 WeakPolarHBondContact O-CG 2.77Å; M225-K229 PolarHBondContact O-N 3.01Å; K229-G231 PolarHBondContact O-N 3.13Å
230	A	98.6	Very high	98.7	Very high	3 Å²	3	64.6 Å²	64.6	3%	0.025	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.7	174.5	0	0	0	0	0	114.2	W45 R125 F195 V226 T227 E228 F232	W45-A230 HydrophobicContact CE3-CB 4.16Å; W45-A230 HydrophobicContact CH2-CB 4.3Å; W45-A230 HydrophobicContact CZ3-CB 3.64Å; R125-A230 PolarHBondContact NH1-O 3.39Å; R125-A230 PolarHBondContact NH2-O 3.16Å; F195-A230 HydrophobicContact CD2-CB 4.28Å; F195-A230 HydrophobicContact CE1-CB 3.95Å; F195-A230 HydrophobicContact CE2-CB 3.7Å; F195-A230 HydrophobicContact CZ-CB 3.49Å; F195-A230 VanDerWaalsContact CZ-CB 3.49Å; V226-A230 WeakPolarHBondContact O-CB 3.43Å; V226-A230 PolarHBondContact O-N 3.27Å; T227-A230 PolarHBondContact O-N 3.3Å; E228-A230 VanDerWaalsContact C-N 3.26Å; E228-A230 PolarHBondContact O-N 3.42Å; A230-F232 VanDerWaalsContact C-N 3.34Å; A230-F232 HydrophobicContact CB-CD2 4.01Å
231	G	98.6	Very high	98.7	Very high	53 Å²	53	60.8 Å²	60.8	55%	0.546	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	21.8	179.6	0	0	0	0	0	113.9	R125 T227 E228 K229	R125-G231 VanDerWaalsContact NH1-C 3.33Å; R125-G231 PolarHBondContact NH1-O 3.46Å; R125-G231 VanDerWaalsContact NH1-O 3.1Å; T227-G231 PolarHBondContact O-N 2.54Å; E228-G231 WeakPolarHBondContact O-CA 3.42Å; E228-G231 PolarHBondContact O-N 3Å; K229-G231 PolarHBondContact O-N 3.13Å
232	F	98.8	Very high	98.7	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.048	29%	0.29	C	S	.	.			trans	-93.1	138.5	173.9	-80.6	-96.9	0	0	0	110.3	L121 I122 R125 L193 F195 T227 A230 R234	L121-F232 HydrophobicContact CB-CZ 4.16Å; I122-F232 HydrophobicContact CG1-CE2 3.95Å; R125-F232 HydrophobicContact CB-CZ 4.26Å; L193-F232 HydrophobicContact CB-CE1 4.36Å; L193-F232 HydrophobicContact CD2-CE1 4.05Å; L193-F232 HydrophobicContact CD2-CZ 4.33Å; L193-F232 HydrophobicContact CG-CE1 4.15Å; L193-F232 WeakPolarHBondContact O-CD1 3.33Å; F195-F232 HydrophobicContact CB-CB 3.78Å; F195-F232 HydrophobicContact CB-CD1 4.1Å; F195-F232 HydrophobicContact CB-CD2 4.14Å; F195-F232 HydrophobicContact CB-CG 3.75Å; F195-F232 HydrophobicContact CD2-CD1 4.46Å; F195-F232 AromaticContact CD2-CD2 3.4Å; F195-F232 HydrophobicContact CD2-CD2 3.4Å; F195-F232 VanDerWaalsContact CD2-CD2 3.4Å; F195-F232 AromaticContact CD2-CE2 3.54Å; F195-F232 HydrophobicContact CD2-CE2 3.54Å; F195-F232 AromaticContact CD2-CG 3.91Å; F195-F232 HydrophobicContact CD2-CG 3.91Å; F195-F232 HydrophobicContact CD2-CZ 4.14Å; F195-F232 HydrophobicContact CE2-CD2 4Å; F195-F232 AromaticContact CE2-CE2 3.97Å; F195-F232 HydrophobicContact CE2-CE2 3.97Å; F195-F232 HydrophobicContact CG-CB 4.33Å; F195-F232 AromaticContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CD2 3.99Å; F195-F232 HydrophobicContact CG-CG 4.12Å; T227-F232 HydrophobicContact CG2-CB 3.82Å; T227-F232 PolarHBondContact O-N 3.19Å; A230-F232 VanDerWaalsContact C-N 3.34Å; A230-F232 HydrophobicContact CB-CD2 4.01Å; F232-R234 VanDerWaalsContact C-N 3.32Å
233	K	98.1	Very high	98.7	Very high	195 Å²	195	57.7 Å²	57.7	85%	0.848	29%	0.29	S	S	*	.	S	Bend	trans	-74	-25.8	177.9	-65.2	-178.5	179.7	177.8	0	112.8
234	R	98.3	Very high	98.7	Very high	141 Å²	141	60.3 Å²	60.3	53%	0.532	31%	0.306	S	S	.	.			trans	-151	142.5	-171.8	-164.2	174.2	-177.6	174.7	4.1	111	R194 F195 F232	R194-R234 WeakPolarHBondContact CA-O 3.43Å; R194-R234 WeakPolarHBondContact CB-O 3.36Å; R194-R234 HydrophobicContact CG-CB 4.46Å; F195-R234 PolarHBondContact N-O 2.99Å; F232-R234 VanDerWaalsContact C-N 3.32Å
235	A	98.8	Very high	98.7	Very high	16 Å²	16	54.4 Å²	54.4	13%	0.132	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-101.6	162.2	168.2	0	0	0	0	0	111.6	F195 T227	F195-A235 HydrophobicContact CB-CB 4.46Å; F195-A235 CarbonylContact O-C 3.48Å; F195-A235 WeakPolarHBondContact O-CA 3.43Å; T227-A235 HydrophobicContact CG2-CB 4.06Å
236	F	98.8	Very high	98.7	Very high	32 Å²	32	59.4 Å²	59.4	14%	0.14	30%	0.301	C	S	.	.			trans	-67.2	137.2	163.1	-72.8	-78.3	0	0	0	110	R194 F195 K199 T239 T244 V247	R194-F236 HydrophobicContact CB-CD2 3.84Å; R194-F236 HydrophobicContact CB-CE1 4.39Å; R194-F236 HydrophobicContact CB-CE2 3.65Å; R194-F236 HydrophobicContact CB-CG 4.29Å; R194-F236 HydrophobicContact CB-CZ 3.94Å; R194-F236 HydrophobicContact CG-CZ 4.46Å; F195-F236 WeakPolarHBondContact O-CD2 3.32Å; F195-F236 PolarHBondContact O-N 3.45Å; K199-F236 WeakPolarHBondContact CE-O 3.37Å; K199-F236 PolarHBondContact NZ-O 2.94Å; K199-F236 VanDerWaalsContact NZ-O 3.1Å; F236-T239 HydrophobicContact CB-CG2 3.57Å; F236-T239 HydrophobicContact CG-CG2 4.27Å; F236-T244 HydrophobicContact CE1-CG2 4.48Å; F236-V247 HydrophobicContact CE2-CG2 4.48Å; F236-V247 HydrophobicContact CZ-CG2 3.86Å
237	I	98.6	Very high	98.6	Very high	130 Å²	130	60.1 Å²	60.1	67%	0.667	31%	0.305	S	S	*	.	S	Bend	trans	-82	-49.3	166.8	-59.9	172.9	0	0	0	108.4
238	I	98.8	Very high	98.5	Very high	145 Å²	145	59.9 Å²	59.9	74%	0.744	30%	0.304	S	S	*	.	S	Bend	trans	-101.1	121.6	-176.5	-51.4	-58.2	0	0	0	109.9
239	T	98.8	Very high	98.5	Very high	22 Å²	22	55.8 Å²	55.8	14%	0.135	29%	0.285	C	S	.	.			trans	-141.2	157.9	171.2	63.6	0	0	0	0	109.3	K199 G203 F236 T242	K199-T239 WeakPolarHBondContact CB-OG1 3.45Å; K199-T239 HydrophobicContact CD-CG2 4.48Å; K199-T239 HydrophobicContact CG-CG2 4.18Å; K199-T239 WeakPolarHBondContact CG-OG1 3.44Å; G203-T239 WeakPolarHBondContact CA-O 3.34Å; F236-T239 HydrophobicContact CB-CG2 3.57Å; F236-T239 HydrophobicContact CG-CG2 4.27Å; T239-T242 WeakPolarHBondContact CB-O 3.44Å
240	G	98.3	Very high	98.4	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	29%	0.286	C	S	.	.	S	Bend	trans	-82	-131.3	153.6	0	0	0	0	0	109	T202 G203 T242	T202-G240 CarbonylContact C-O 3.47Å; G203-G240 WeakPolarHBondContact CA-O 3.42Å; G203-G240 PolarHBondContact N-O 3.2Å; G203-G240 VanDerWaalsContact N-O 3.14Å; G240-T242 VanDerWaalsContact C-N 3.29Å; G240-T242 PolarHBondContact O-N 2.83Å
241	Q	98.6	Very high	98.1	Very high	46 Å²	46	55.8 Å²	55.8	22%	0.215	29%	0.286	C	S	.	.	S	Bend	trans	-68.3	-30.6	170.8	-172.2	169.5	90.4	0	0	112.4	C113 R196 T201 E328 R329	C113-Q241 HydrophobicContact CB-CG 4.25Å; C113-Q241 WeakPolarHBondContact CB-O 3.38Å; R196-Q241 VanDerWaalsContact CZ-O 3.23Å; R196-Q241 PolarHBondContact NE-O 3.26Å; R196-Q241 PolarHBondContact NH2-O 3.24Å; T201-Q241 WeakPolarHBondContact O-CA 3.49Å; T201-Q241 WeakPolarHBondContact O-CB 3.27Å; T201-Q241 WeakPolarHBondContact O-CG 3.24Å; T201-Q241 PolarHBondContact O-NE2 3.17Å; Q241-E328 PolarHBondContact N-O 3.45Å; Q241-R329 HydrophobicContact CB-CB 3.79Å
242	T	98.8	Very high	97.7	Very high	10 Å²	10	53.6 Å²	53.6	6%	0.061	26%	0.262	C	S	.	.	S	Bend	trans	-117.5	168.6	-169.8	61.7	0	0	0	0	112	D117 T239 G240 R245 R329	D117-T242 WeakPolarHBondContact OD2-CA 3.44Å; D117-T242 WeakPolarHBondContact OD2-CB 3.35Å; T239-T242 WeakPolarHBondContact CB-O 3.44Å; G240-T242 VanDerWaalsContact C-N 3.29Å; G240-T242 PolarHBondContact O-N 2.83Å; T242-R245 VanDerWaalsContact CG2-NH2 3.33Å; T242-R329 HydrophobicContact CG2-CB 4.36Å; T242-R329 VanDerWaalsContact CG2-CD 3.43Å; T242-R329 HydrophobicContact CG2-CG 3.7Å
243	Y	98.8	Very high	97.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-63.1	152	154.2	72.3	-99.8	0	0	0	109	D117 D120 L121 R245 V247 D248 R337	D117-Y243 HydrophobicContact CB-CD1 3.81Å; D117-Y243 HydrophobicContact CB-CE1 4.13Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.42Å; D117-Y243 PolarHBondContact OD2-N 3.33Å; D120-Y243 HydrophobicContact CB-CE1 4.4Å; L121-Y243 HydrophobicContact CD1-CD1 3.73Å; L121-Y243 HydrophobicContact CD1-CE1 4.36Å; L121-Y243 HydrophobicContact CD1-CG 4.16Å; L121-Y243 HydrophobicContact CD2-CD1 3.98Å; L121-Y243 HydrophobicContact CD2-CD2 4.35Å; L121-Y243 HydrophobicContact CD2-CE1 4.05Å; L121-Y243 HydrophobicContact CD2-CE2 4.44Å; L121-Y243 HydrophobicContact CD2-CG 4.14Å; L121-Y243 HydrophobicContact CG-CD1 3.75Å; L121-Y243 HydrophobicContact CG-CE1 3.87Å; L121-Y243 HydrophobicContact CG-CG 4.33Å; Y243-R245 PolarHBondContact O-N 3.11Å; Y243-V247 HydrophobicContact CD2-CB 3.89Å; Y243-V247 HydrophobicContact CD2-CG1 4.38Å; Y243-V247 HydrophobicContact CD2-CG2 4.1Å; Y243-V247 HydrophobicContact CE2-CB 3.89Å; Y243-V247 HydrophobicContact CE2-CG1 4.18Å; Y243-D248 VanDerWaalsContact CE2-OD1 3.26Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.3Å; Y243-D248 PolarHBondContact OH-OD1 3.49Å; Y243-D248 PolarHBondContact OH-OD2 3.4Å; Y243-R337 PolarHBondContact OH-NH2 3.45Å
244	T	98.7	Very high	97.1	Very high	74 Å²	74	46.4 Å²	46.4	45%	0.454	24%	0.237	S	C	.	.			trans	-63.6	128.9	-178.9	178.1	0	0	0	0	111.2	F236 K246 V247	F236-T244 HydrophobicContact CE1-CG2 4.48Å; T244-K246 HydrophobicContact CG2-CB 4.18Å; T244-K246 PolarHBondContact O-N 3.4Å; T244-K246 PolarHBondContact OG1-N 3.39Å; T244-V247 HydrophobicContact CG2-CG2 4.03Å; T244-V247 WeakPolarHBondContact O-CB 3.46Å; T244-V247 WeakPolarHBondContact O-CG2 3.5Å; T244-V247 PolarHBondContact O-N 3.26Å
245	R	98.5	Very high	96.5	Very high	6 Å²	6	40 Å²	40	2%	0.023	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-6.6	177.2	-57.2	-52.1	-176.5	-146.5	6.2	113.4	D117 T242 Y243 V247 D248 I249 A322 Q325 D333	D117-R245 IonicContact OD1-CZ 3.84Å; D117-R245 IonicContact OD1-NH1 2.79Å; D117-R245 PolarHBondContact OD1-NH1 2.7Å; D117-R245 IonicContact OD1-NH2 2.53Å; D117-R245 PolarHBondContact OD1-NH2 3.15Å; D117-R245 IonicContact OD2-CZ 3.42Å; D117-R245 IonicContact OD2-NH1 3.06Å; D117-R245 PolarHBondContact OD2-NH1 2.95Å; D117-R245 IonicContact OD2-NH2 3.34Å; T242-R245 VanDerWaalsContact CG2-NH2 3.33Å; Y243-R245 PolarHBondContact O-N 3.11Å; R245-V247 PolarHBondContact O-N 2.99Å; R245-D248 VanDerWaalsContact CD-OD2 3.28Å; R245-D248 WeakPolarHBondContact CD-OD2 3.22Å; R245-D248 WeakPolarHBondContact O-CB 3.19Å; R245-D248 PolarHBondContact O-N 3.36Å; R245-D248 VanDerWaalsContact O-N 3.08Å; R245-I249 PolarHBondContact O-N 2.97Å; R245-A322 HydrophobicContact CB-CB 3.89Å; R245-Q325 HydrophobicContact CG-CG 4.18Å; R245-D333 IonicContact CZ-OD2 3.4Å; R245-D333 IonicContact NE-OD2 2.7Å; R245-D333 PolarHBondContact NE-OD2 3.43Å; R245-D333 IonicContact NH2-OD2 2.66Å; R245-D333 PolarHBondContact NH2-OD2 3.35Å
246	K	98.8	Very high	96	Very high	144 Å²	144	39.8 Å²	39.8	63%	0.626	21%	0.212	S	C	*	.	H	α-helix	trans	-60.1	-29	165.4	-170.3	174.6	177.7	64.3	0	113.2	T244 D248 I249 E250	T244-K246 HydrophobicContact CG2-CB 4.18Å; T244-K246 PolarHBondContact O-N 3.4Å; T244-K246 PolarHBondContact OG1-N 3.39Å; K246-D248 VanDerWaalsContact C-N 3.27Å; K246-D248 PolarHBondContact O-N 2.94Å; K246-I249 WeakPolarHBondContact O-CB 3.45Å; K246-I249 PolarHBondContact O-N 3.48Å; K246-E250 PolarHBondContact O-N 2.65Å; K246-E250 VanDerWaalsContact O-N 3.1Å
247	V	98.5	Very high	95.7	Very high	16 Å²	16	40.8 Å²	40.8	10%	0.097	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-40.5	172.2	172.9	0	0	0	0	110.6	L121 L193 F236 Y243 T244 R245 I249 E250 V251	L121-V247 HydrophobicContact CD2-CG1 4.49Å; L193-V247 HydrophobicContact CD1-CG1 3.52Å; F236-V247 HydrophobicContact CE2-CG2 4.48Å; F236-V247 HydrophobicContact CZ-CG2 3.86Å; Y243-V247 HydrophobicContact CD2-CB 3.89Å; Y243-V247 HydrophobicContact CD2-CG1 4.38Å; Y243-V247 HydrophobicContact CD2-CG2 4.1Å; Y243-V247 HydrophobicContact CE2-CB 3.89Å; Y243-V247 HydrophobicContact CE2-CG1 4.18Å; T244-V247 HydrophobicContact CG2-CG2 4.03Å; T244-V247 WeakPolarHBondContact O-CB 3.46Å; T244-V247 WeakPolarHBondContact O-CG2 3.5Å; T244-V247 PolarHBondContact O-N 3.26Å; R245-V247 PolarHBondContact O-N 2.99Å; V247-I249 VanDerWaalsContact C-N 3.31Å; V247-I249 PolarHBondContact O-N 3.48Å; V247-E250 PolarHBondContact O-N 3.28Å; V247-E250 VanDerWaalsContact O-N 3.12Å; V247-V251 HydrophobicContact CG1-CG2 4.49Å; V247-V251 WeakPolarHBondContact O-CG2 3.42Å; V247-V251 PolarHBondContact O-N 3.27Å
248	D	97.1	Very high	95.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.011	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-36.9	179.4	-58.9	-24.9	0	0	0	111.1	Y243 R245 K246 L252 P318 R337 Q341	Y243-D248 VanDerWaalsContact CE2-OD1 3.26Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.3Å; Y243-D248 PolarHBondContact OH-OD1 3.49Å; Y243-D248 PolarHBondContact OH-OD2 3.4Å; R245-D248 VanDerWaalsContact CD-OD2 3.28Å; R245-D248 WeakPolarHBondContact CD-OD2 3.22Å; R245-D248 WeakPolarHBondContact O-CB 3.19Å; R245-D248 PolarHBondContact O-N 3.36Å; R245-D248 VanDerWaalsContact O-N 3.08Å; K246-D248 VanDerWaalsContact C-N 3.27Å; K246-D248 PolarHBondContact O-N 2.94Å; D248-L252 WeakPolarHBondContact O-CB 3.33Å; D248-L252 PolarHBondContact O-N 2.86Å; D248-P318 HydrophobicContact CB-CB 3.94Å; D248-R337 IonicContact OD2-NE 2.8Å; D248-R337 PolarHBondContact OD2-NE 3.46Å; D248-Q341 PolarHBondContact OD1-NE2 3.46Å; D248-Q341 PolarHBondContact OD2-NE2 3.43Å
249	I	98.1	Very high	94.7	Very high	29 Å²	29	28.5 Å²	28.5	15%	0.149	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-48.1	171.7	-63.3	169.7	0	0	0	110	R245 K246 V247 V251 L252 S253 P318 L319 A322	R245-I249 PolarHBondContact O-N 2.97Å; K246-I249 WeakPolarHBondContact O-CB 3.45Å; K246-I249 PolarHBondContact O-N 3.48Å; V247-I249 VanDerWaalsContact C-N 3.31Å; V247-I249 PolarHBondContact O-N 3.48Å; I249-V251 PolarHBondContact O-N 3.45Å; I249-L252 PolarHBondContact O-N 3.33Å; I249-S253 WeakPolarHBondContact O-CB 3.39Å; I249-S253 PolarHBondContact O-N 2.99Å; I249-S253 PolarHBondContact O-OG 3.26Å; I249-P318 HydrophobicContact CG1-CB 3.95Å; I249-P318 HydrophobicContact CG1-CG 4.5Å; I249-P318 WeakPolarHBondContact CG1-O 3.45Å; I249-L319 HydrophobicContact CD1-CD2 4.04Å; I249-L319 HydrophobicContact CG1-CD2 4.23Å; I249-L319 HydrophobicContact CG2-CD2 3.74Å; I249-L319 HydrophobicContact CG2-CG 4.38Å; I249-A322 HydrophobicContact CD1-CB 3.65Å; I249-A322 HydrophobicContact CG1-CB 4.29Å
250	E	96.8	Very high	94.5	Very high	75 Å²	75	29.7 Å²	29.7	35%	0.35	17%	0.172	S	C	.	.	H	α-helix	trans	-61.5	-44.8	-176.4	-172.2	172.7	178.3	0	0	111.9	R188 V189 K246 V247 V254	R188-E250 IonicContact CZ-OE1 3.69Å; R188-E250 IonicContact NH1-OE1 2.63Å; R188-E250 PolarHBondContact NH1-OE1 3.33Å; V189-E250 HydrophobicContact CG2-CG 3.79Å; K246-E250 PolarHBondContact O-N 2.65Å; K246-E250 VanDerWaalsContact O-N 3.1Å; V247-E250 PolarHBondContact O-N 3.28Å; V247-E250 VanDerWaalsContact O-N 3.12Å; E250-V254 PolarHBondContact O-N 3.06Å
251	V	91.6	Very high	94.3	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.024	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-50.8	177.8	178.8	0	0	0	0	111.4	L124 V189 V247 I249 S253 V254 L255	L124-V251 HydrophobicContact CD2-CG1 4.35Å; V189-V251 HydrophobicContact CG1-CB 4.43Å; V189-V251 HydrophobicContact CG1-CG2 3.64Å; V247-V251 HydrophobicContact CG1-CG2 4.49Å; V247-V251 WeakPolarHBondContact O-CG2 3.42Å; V247-V251 PolarHBondContact O-N 3.27Å; I249-V251 PolarHBondContact O-N 3.45Å; V251-S253 VanDerWaalsContact C-N 3.32Å; V251-S253 PolarHBondContact O-N 2.96Å; V251-V254 WeakPolarHBondContact O-CG2 3.46Å; V251-V254 PolarHBondContact O-N 3.49Å; V251-L255 HydrophobicContact CG1-CD1 4.02Å; V251-L255 WeakPolarHBondContact O-CG 3.38Å; V251-L255 PolarHBondContact O-N 3.34Å
252	L	90.7	Very high	93.7	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-73.1	-25.7	-175.6	-89.5	62.3	0	0	0	112.5	D248 I249 L255 A256 P318 A340 Q341	D248-L252 WeakPolarHBondContact O-CB 3.33Å; D248-L252 PolarHBondContact O-N 2.86Å; I249-L252 PolarHBondContact O-N 3.33Å; L252-L255 PolarHBondContact O-N 3.45Å; L252-A256 WeakPolarHBondContact O-CB 3.32Å; L252-A256 PolarHBondContact O-N 3.49Å; L252-P318 HydrophobicContact CB-CG 3.89Å; L252-P318 HydrophobicContact CD2-CB 4.47Å; L252-P318 HydrophobicContact CD2-CG 3.65Å; L252-P318 HydrophobicContact CG-CG 4.35Å; L252-A340 HydrophobicContact CD2-CB 4.22Å; L252-Q341 HydrophobicContact CD1-CG 4.48Å
253	S	93.3	Very high	93.4	Very high	44 Å²	44	28.7 Å²	28.7	31%	0.308	16%	0.163	S	C	.	.	H	α-helix	trans	-67.5	-42.7	175.9	-61.6	0	0	0	0	112.1	I249 V251 L255 A256 S257	I249-S253 WeakPolarHBondContact O-CB 3.39Å; I249-S253 PolarHBondContact O-N 2.99Å; I249-S253 PolarHBondContact O-OG 3.26Å; V251-S253 VanDerWaalsContact C-N 3.32Å; V251-S253 PolarHBondContact O-N 2.96Å; S253-L255 VanDerWaalsContact C-N 3.28Å; S253-L255 PolarHBondContact O-N 3.43Å; S253-A256 PolarHBondContact O-N 3.19Å; S253-S257 PolarHBondContact O-N 3.42Å
254	V	90.4	Very high	93.4	Very high	10 Å²	10	32.6 Å²	32.6	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-31.5	177.8	-59.5	0	0	0	0	111.7	N185 L186 V189 E250 V251 S257 L258	N185-V254 HydrophobicContact CB-CB 4.08Å; N185-V254 HydrophobicContact CB-CG1 3.79Å; L186-V254 HydrophobicContact CD1-CB 4.15Å; L186-V254 HydrophobicContact CD1-CG2 3.92Å; V189-V254 HydrophobicContact CG2-CG1 3.85Å; V189-V254 HydrophobicContact CG2-CG2 4.05Å; E250-V254 PolarHBondContact O-N 3.06Å; V251-V254 WeakPolarHBondContact O-CG2 3.46Å; V251-V254 PolarHBondContact O-N 3.49Å; V254-S257 WeakPolarHBondContact O-CB 3.34Å; V254-L258 PolarHBondContact O-N 3.43Å
255	L	87.1	Confident	93	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-71.8	-39.7	174.1	-64.8	169.7	0	0	0	111.9	L131 V251 L252 S253 S257 L258 G259 L311 I362	L131-L255 HydrophobicContact CD1-CD2 3.84Å; V251-L255 HydrophobicContact CG1-CD1 4.02Å; V251-L255 WeakPolarHBondContact O-CG 3.38Å; V251-L255 PolarHBondContact O-N 3.34Å; L252-L255 PolarHBondContact O-N 3.45Å; S253-L255 VanDerWaalsContact C-N 3.28Å; S253-L255 PolarHBondContact O-N 3.43Å; L255-S257 VanDerWaalsContact C-N 3.33Å; L255-S257 PolarHBondContact O-N 3.35Å; L255-L258 WeakPolarHBondContact O-CB 3.46Å; L255-L258 PolarHBondContact O-N 3.33Å; L255-G259 PolarHBondContact O-N 3.29Å; L255-L311 HydrophobicContact CB-CD1 4.02Å; L255-L311 HydrophobicContact CB-CD2 4.33Å; L255-L311 HydrophobicContact CB-CG 4.27Å; L255-L311 WeakPolarHBondContact O-CD2 3.11Å; L255-L311 WeakPolarHBondContact O-CG 3.43Å; L255-I362 HydrophobicContact CD1-CD1 3.58Å; L255-I362 HydrophobicContact CD1-CG1 3.94Å
256	A	88.2	Confident	92.6	Very high	12 Å²	12	28.9 Å²	28.9	10%	0.099	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-41.3	172.9	0	0	0	0	0	111.7	L252 S253 G259 A260 M312 V315	L252-A256 WeakPolarHBondContact O-CB 3.32Å; L252-A256 PolarHBondContact O-N 3.49Å; S253-A256 PolarHBondContact O-N 3.19Å; A256-G259 WeakPolarHBondContact O-CA 3.09Å; A256-G259 PolarHBondContact O-N 2.89Å; A256-G259 VanDerWaalsContact O-N 3.11Å; A256-A260 PolarHBondContact O-N 2.76Å; A256-M312 WeakPolarHBondContact O-CG 3.31Å; A256-V315 HydrophobicContact CB-CB 3.91Å; A256-V315 HydrophobicContact CB-CG1 4.48Å; A256-V315 HydrophobicContact CB-CG2 4.29Å
257	S	92.6	Very high	92.5	Very high	53 Å²	53	23.9 Å²	23.9	37%	0.371	14%	0.139	S	C	.	.	H	α-helix	trans	-57.6	-48.8	172.3	-178.8	0	0	0	0	111.7	D182 S253 V254 L255 G259 A260 S261	D182-S257 PolarHBondContact OD1-OG 3.37Å; S253-S257 PolarHBondContact O-N 3.42Å; V254-S257 WeakPolarHBondContact O-CB 3.34Å; L255-S257 VanDerWaalsContact C-N 3.33Å; L255-S257 PolarHBondContact O-N 3.35Å; S257-G259 PolarHBondContact O-N 2.96Å; S257-A260 WeakPolarHBondContact O-CA 3.23Å; S257-A260 WeakPolarHBondContact O-CB 2.98Å; S257-A260 PolarHBondContact O-N 3.03Å; S257-S261 PolarHBondContact O-N 2.93Å; S257-S261 PolarHBondContact O-OG 3.28Å
258	L	90.4	Very high	92.4	Very high	16 Å²	16	24.7 Å²	24.7	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-38	173.9	175.2	63.9	0	0	0	112.1	L135 L179 D182 V254 L255 A260 S261 V262	L135-L258 HydrophobicContact CD1-CD1 4.09Å; L135-L258 HydrophobicContact CD2-CD1 4.48Å; L179-L258 HydrophobicContact CD2-CD1 3.84Å; D182-L258 HydrophobicContact CB-CB 4.24Å; D182-L258 HydrophobicContact CB-CD1 3.91Å; D182-L258 PolarHBondContact OD1-N 2.97Å; D182-L258 WeakPolarHBondContact OD2-CA 3.44Å; V254-L258 PolarHBondContact O-N 3.43Å; L255-L258 WeakPolarHBondContact O-CB 3.46Å; L255-L258 PolarHBondContact O-N 3.33Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 3.4Å; L258-S261 PolarHBondContact O-N 2.79Å; L258-V262 HydrophobicContact CD1-CG2 4.09Å; L258-V262 HydrophobicContact CG-CG2 4.43Å; L258-V262 WeakPolarHBondContact O-CB 3.46Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å; L258-V262 PolarHBondContact O-N 3.49Å
259	G	85.8	Confident	92	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-57.9	-43.7	171.6	0	0	0	0	0	112.6	L255 A256 S257 H263 A308	L255-G259 PolarHBondContact O-N 3.29Å; A256-G259 WeakPolarHBondContact O-CA 3.09Å; A256-G259 PolarHBondContact O-N 2.89Å; A256-G259 VanDerWaalsContact O-N 3.11Å; S257-G259 PolarHBondContact O-N 2.96Å; G259-H263 VanDerWaalsContact O-CB 3.24Å; G259-H263 WeakPolarHBondContact O-CB 3.39Å; G259-H263 PolarHBondContact O-N 2.81Å; G259-A308 WeakPolarHBondContact O-CB 3.36Å
260	A	93.1	Very high	91.7	Very high	47 Å²	47	28.2 Å²	28.2	39%	0.388	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-46.5	176.1	0	0	0	0	0	111.9	A256 S257 L258 H263 K264 M312	A256-A260 PolarHBondContact O-N 2.76Å; S257-A260 WeakPolarHBondContact O-CA 3.23Å; S257-A260 WeakPolarHBondContact O-CB 2.98Å; S257-A260 PolarHBondContact O-N 3.03Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 3.4Å; A260-H263 PolarHBondContact O-N 3.36Å; A260-K264 PolarHBondContact O-N 2.93Å; A260-M312 HydrophobicContact CB-SD 3.75Å
261	S	93.8	Very high	91.6	Very high	10 Å²	10	27.8 Å²	27.8	7%	0.07	16%	0.155	C	C	.	.	H	α-helix	trans	-55.5	-54.5	176.2	-52.5	0	0	0	0	111	D182 S257 L258 H263 K264 I265	D182-S261 WeakPolarHBondContact OD2-CB 3.32Å; D182-S261 PolarHBondContact OD2-OG 3Å; S257-S261 PolarHBondContact O-N 2.93Å; S257-S261 PolarHBondContact O-OG 3.28Å; L258-S261 PolarHBondContact O-N 2.79Å; S261-H263 PolarHBondContact O-N 2.63Å; S261-K264 PolarHBondContact O-N 2.95Å; S261-I265 WeakPolarHBondContact O-CD1 3.39Å; S261-I265 WeakPolarHBondContact O-CG1 3.39Å; S261-I265 PolarHBondContact O-N 3.29Å
262	V	88	Confident	91.4	Very high	5 Å²	5	28 Å²	28	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-43.9	179.6	169.1	0	0	0	0	111.7	L179 L258 K264 I265 C266 C304 A308 A365 F369	L179-V262 HydrophobicContact CD2-CG2 4.47Å; L258-V262 HydrophobicContact CD1-CG2 4.09Å; L258-V262 HydrophobicContact CG-CG2 4.43Å; L258-V262 WeakPolarHBondContact O-CB 3.46Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å; L258-V262 PolarHBondContact O-N 3.49Å; V262-K264 VanDerWaalsContact C-N 3.3Å; V262-K264 PolarHBondContact O-N 3.09Å; V262-I265 PolarHBondContact O-N 3.43Å; V262-C266 WeakPolarHBondContact O-CB 3.14Å; V262-C266 PolarHBondContact O-N 3.24Å; V262-C304 HydrophobicContact CG1-CB 4.03Å; V262-A308 HydrophobicContact CB-CB 4.26Å; V262-A308 HydrophobicContact CG1-CB 4.05Å; V262-A365 HydrophobicContact CG1-CB 3.97Å; V262-A365 HydrophobicContact CG2-CB 4.09Å; V262-F369 HydrophobicContact CG1-CE2 3.8Å; V262-F369 HydrophobicContact CG1-CZ 4.1Å
263	H	91.2	Very high	90.9	Very high	41 Å²	41	28.6 Å²	28.6	19%	0.19	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-41	-179.4	-169.6	-62.3	0	0	0	111.1	G259 A260 S261 T267 C305 A308 R309 M312	G259-H263 VanDerWaalsContact O-CB 3.24Å; G259-H263 WeakPolarHBondContact O-CB 3.39Å; G259-H263 PolarHBondContact O-N 2.81Å; A260-H263 PolarHBondContact O-N 3.36Å; S261-H263 PolarHBondContact O-N 2.63Å; H263-T267 PolarHBondContact ND1-OG1 3.22Å; H263-T267 WeakPolarHBondContact O-CB 3.46Å; H263-T267 PolarHBondContact O-N 3.22Å; H263-T267 PolarHBondContact O-OG1 3.29Å; H263-C305 PolarHBondContact CD2-O 3.34Å; H263-C305 VanDerWaalsContact CD2-O 3.23Å; H263-A308 HydrophobicContact CB-CB 4.11Å; H263-R309 PolarHBondContact NE2-NH2 2.78Å; H263-R309 VanDerWaalsContact NE2-NH2 3.18Å; H263-M312 HydrophobicContact CB-CE 4.23Å
264	K	98.2	Very high	90.9	Very high	81 Å²	81	32.2 Å²	32.2	35%	0.352	18%	0.178	S	C	.	.	H	α-helix	trans	-65.8	-48.6	177.9	-177.5	-92.7	-172.6	-75.8	0	111.5	A260 S261 V262 C266 T267 D268	A260-K264 PolarHBondContact O-N 2.93Å; S261-K264 PolarHBondContact O-N 2.95Å; V262-K264 VanDerWaalsContact C-N 3.3Å; V262-K264 PolarHBondContact O-N 3.09Å; K264-C266 PolarHBondContact O-N 3.14Å; K264-T267 PolarHBondContact O-N 3.01Å; K264-D268 IonicContact NZ-OD1 2.95Å; K264-D268 PolarHBondContact NZ-OD1 3.03Å; K264-D268 IonicContact NZ-OD2 3.94Å; K264-D268 PolarHBondContact NZ-OD2 3.22Å; K264-D268 PolarHBondContact O-N 2.74Å
265	I	90.5	Very high	90.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-51.2	180	-63.9	166.3	0	0	0	110.7	W175 L179 S261 V262 T267 D268 I269 F369	W175-I265 HydrophobicContact CB-CD1 3.74Å; W175-I265 HydrophobicContact CB-CG1 3.61Å; W175-I265 HydrophobicContact CB-CG2 4.18Å; W175-I265 HydrophobicContact CD2-CG2 3.95Å; W175-I265 HydrophobicContact CE3-CG2 4.21Å; W175-I265 HydrophobicContact CG-CB 4.3Å; W175-I265 HydrophobicContact CG-CD1 4.4Å; W175-I265 HydrophobicContact CG-CG1 3.72Å; W175-I265 HydrophobicContact CG-CG2 3.94Å; L179-I265 HydrophobicContact CD1-CD1 3.9Å; L179-I265 HydrophobicContact CD2-CD1 4.05Å; L179-I265 HydrophobicContact CG-CD1 3.82Å; S261-I265 WeakPolarHBondContact O-CD1 3.39Å; S261-I265 WeakPolarHBondContact O-CG1 3.39Å; S261-I265 PolarHBondContact O-N 3.29Å; V262-I265 PolarHBondContact O-N 3.43Å; I265-T267 VanDerWaalsContact C-N 3.27Å; I265-T267 PolarHBondContact O-N 2.8Å; I265-D268 WeakPolarHBondContact O-CB 3.42Å; I265-D268 PolarHBondContact O-N 3.22Å; I265-I269 HydrophobicContact CG2-CD1 4.03Å; I265-I269 WeakPolarHBondContact O-CG1 3.3Å; I265-I269 PolarHBondContact O-N 3.22Å; I265-F369 HydrophobicContact CG2-CE1 4.01Å; I265-F369 HydrophobicContact CG2-CZ 4.44Å
266	C	90.4	Very high	90.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-33.4	177.3	-82.8	0	0	0	0	113.7	V262 K264 I269 R270 S301 C304 C305 F369	V262-C266 WeakPolarHBondContact O-CB 3.14Å; V262-C266 PolarHBondContact O-N 3.24Å; K264-C266 PolarHBondContact O-N 3.14Å; C266-I269 PolarHBondContact O-N 3.24Å; C266-R270 WeakPolarHBondContact O-CB 3.4Å; C266-R270 VanDerWaalsContact O-CD 3.31Å; C266-R270 WeakPolarHBondContact O-CD 3.21Å; C266-R270 WeakPolarHBondContact O-CG 3.42Å; C266-R270 PolarHBondContact O-N 3.13Å; C266-S301 VanDerWaalsContact SG-CA 3.56Å; C266-C304 WeakPolarHBondContact SG-CB 3.19Å; C266-C305 WeakPolarHBondContact CB-SG 3.45Å; C266-F369 WeakPolarHBondContact SG-CZ 3.47Å
267	T	97	Very high	90.4	Very high	40 Å²	40	46.8 Å²	46.8	25%	0.245	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-42.9	176.6	-61.3	0	0	0	0	110.5	H263 K264 I265 I269 R270 L271	H263-T267 PolarHBondContact ND1-OG1 3.22Å; H263-T267 WeakPolarHBondContact O-CB 3.46Å; H263-T267 PolarHBondContact O-N 3.22Å; H263-T267 PolarHBondContact O-OG1 3.29Å; K264-T267 PolarHBondContact O-N 3.01Å; I265-T267 VanDerWaalsContact C-N 3.27Å; I265-T267 PolarHBondContact O-N 2.8Å; T267-I269 VanDerWaalsContact C-N 3.34Å; T267-I269 PolarHBondContact O-N 2.75Å; T267-R270 PolarHBondContact O-N 2.86Å; T267-L271 HydrophobicContact CG2-CD1 4.45Å; T267-L271 WeakPolarHBondContact O-CG 3.36Å; T267-L271 PolarHBondContact O-N 3.12Å
268	D	96.5	Very high	89.9	Confident	33 Å²	33	46.2 Å²	46.2	18%	0.176	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-46.1	173.6	-70.7	0.3	0	0	0	111.1	W175 K264 I265 R270 L271 L272	W175-D268 HydrophobicContact CZ2-CB 3.85Å; W175-D268 PolarHBondContact NE1-OD2 3.06Å; K264-D268 IonicContact NZ-OD1 2.95Å; K264-D268 PolarHBondContact NZ-OD1 3.03Å; K264-D268 IonicContact NZ-OD2 3.94Å; K264-D268 PolarHBondContact NZ-OD2 3.22Å; K264-D268 PolarHBondContact O-N 2.74Å; I265-D268 WeakPolarHBondContact O-CB 3.42Å; I265-D268 PolarHBondContact O-N 3.22Å; D268-R270 VanDerWaalsContact C-N 3.32Å; D268-R270 PolarHBondContact O-N 3.37Å; D268-L271 WeakPolarHBondContact O-CB 2.9Å; D268-L271 PolarHBondContact O-N 3.16Å; D268-L271 VanDerWaalsContact O-N 3.14Å; D268-L272 WeakPolarHBondContact O-CG 3.24Å; D268-L272 PolarHBondContact O-N 3.33Å
269	I	87.8	Confident	89.1	Confident	19 Å²	19	50.1 Å²	50.1	10%	0.097	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-41.8	179	-66.5	167.5	0	0	0	111.1	W175 I265 C266 T267 L271 L272 A273 E280 S301 F369	W175-I269 HydrophobicContact CH2-CG1 4.07Å; W175-I269 HydrophobicContact CZ2-CG1 4.49Å; W175-I269 HydrophobicContact CZ3-CG1 4.46Å; I265-I269 HydrophobicContact CG2-CD1 4.03Å; I265-I269 WeakPolarHBondContact O-CG1 3.3Å; I265-I269 PolarHBondContact O-N 3.22Å; C266-I269 PolarHBondContact O-N 3.24Å; T267-I269 VanDerWaalsContact C-N 3.34Å; T267-I269 PolarHBondContact O-N 2.75Å; I269-L271 VanDerWaalsContact C-N 3.33Å; I269-L271 PolarHBondContact O-N 3.04Å; I269-L272 PolarHBondContact O-N 3.17Å; I269-A273 WeakPolarHBondContact O-CB 3.48Å; I269-A273 PolarHBondContact O-N 2.92Å; I269-E280 HydrophobicContact CG2-CG 4.1Å; I269-S301 WeakPolarHBondContact CG2-OG 3.47Å; I269-F369 HydrophobicContact CD1-CE1 4.18Å
270	R	92.1	Very high	88.7	Confident	86 Å²	86	51.5 Å²	51.5	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-38.4	176.1	-71.3	161.3	62.3	-142.1	-5.1	112.3	C266 T267 D268 N274 P298 E302	C266-R270 WeakPolarHBondContact O-CB 3.4Å; C266-R270 VanDerWaalsContact O-CD 3.31Å; C266-R270 WeakPolarHBondContact O-CD 3.21Å; C266-R270 WeakPolarHBondContact O-CG 3.42Å; C266-R270 PolarHBondContact O-N 3.13Å; T267-R270 PolarHBondContact O-N 2.86Å; D268-R270 VanDerWaalsContact C-N 3.32Å; D268-R270 PolarHBondContact O-N 3.37Å; R270-N274 PolarHBondContact O-N 3.21Å; R270-P298 HydrophobicContact CB-CG 4.22Å; R270-P298 HydrophobicContact CG-CB 3.99Å; R270-P298 HydrophobicContact CG-CG 3.77Å; R270-E302 HydrophobicContact CG-CG 4.35Å
271	L	95.1	Very high	87.6	Confident	66 Å²	66	53.9 Å²	53.9	35%	0.346	27%	0.27	S	S	.	.	H	α-helix	trans	-68.8	-42.8	174.9	-67	171.8	0	0	0	111.3	F160 T267 D268 I269 A273 N274 L275	F160-L271 HydrophobicContact CD2-CD1 4.47Å; F160-L271 HydrophobicContact CE1-CD2 4.19Å; F160-L271 HydrophobicContact CE2-CB 4.18Å; F160-L271 HydrophobicContact CE2-CD1 4.28Å; F160-L271 HydrophobicContact CZ-CB 4.15Å; F160-L271 HydrophobicContact CZ-CD2 4.04Å; F160-L271 HydrophobicContact CZ-CG 4.48Å; T267-L271 HydrophobicContact CG2-CD1 4.45Å; T267-L271 WeakPolarHBondContact O-CG 3.36Å; T267-L271 PolarHBondContact O-N 3.12Å; D268-L271 WeakPolarHBondContact O-CB 2.9Å; D268-L271 PolarHBondContact O-N 3.16Å; D268-L271 VanDerWaalsContact O-N 3.14Å; I269-L271 VanDerWaalsContact C-N 3.33Å; I269-L271 PolarHBondContact O-N 3.04Å; L271-A273 VanDerWaalsContact C-N 3.28Å; L271-A273 PolarHBondContact O-N 2.92Å; L271-N274 WeakPolarHBondContact O-CB 3.43Å; L271-N274 PolarHBondContact O-N 3.11Å; L271-N274 VanDerWaalsContact O-N 3.1Å; L271-L275 WeakPolarHBondContact O-CG 3.4Å; L271-L275 PolarHBondContact O-N 3.4Å
272	L	86.4	Confident	86.3	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-32.9	176.8	-67.1	169.1	0	0	0	112.5	W175 D268 I269 N274 L275 K276 E277 M278	W175-L272 HydrophobicContact CH2-CD1 4.18Å; W175-L272 HydrophobicContact CZ2-CD1 4.27Å; D268-L272 WeakPolarHBondContact O-CG 3.24Å; D268-L272 PolarHBondContact O-N 3.33Å; I269-L272 PolarHBondContact O-N 3.17Å; L272-N274 VanDerWaalsContact C-N 3.35Å; L272-L275 HydrophobicContact CD2-CD1 4.49Å; L272-L275 CarbonylContact O-C 3.59Å; L272-L275 PolarHBondContact O-N 3.39Å; L272-K276 PolarHBondContact O-N 3.36Å; L272-E277 HydrophobicContact CD2-CB 4.23Å; L272-E277 WeakPolarHBondContact CD2-OE2 3.29Å; L272-E277 PolarHBondContact O-N 3.02Å; L272-M278 CarbonylContact C-O 3.6Å; L272-M278 HydrophobicContact CB-CB 3.85Å; L272-M278 HydrophobicContact CD1-CB 4.34Å; L272-M278 HydrophobicContact CD1-CE 4.16Å; L272-M278 HydrophobicContact CD1-SD 4.19Å; L272-M278 PolarHBondContact O-N 2.86Å
273	A	81.4	Confident	85.2	Confident	21 Å²	21	62 Å²	62	17%	0.174	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-38.6	171.8	0	0	0	0	0	111.9	I269 L271 K276 M278 P298	I269-A273 WeakPolarHBondContact O-CB 3.48Å; I269-A273 PolarHBondContact O-N 2.92Å; L271-A273 VanDerWaalsContact C-N 3.28Å; L271-A273 PolarHBondContact O-N 2.92Å; A273-K276 PolarHBondContact O-N 3.32Å; A273-M278 WeakPolarHBondContact CA-O 3.31Å; A273-M278 PolarHBondContact N-O 3.04Å; A273-P298 HydrophobicContact CB-CB 4.3Å; A273-P298 HydrophobicContact CB-CG 4.29Å
274	N	93.3	Very high	83.9	Confident	121 Å²	121	70.4 Å²	70.4	65%	0.647	34%	0.341	S	S	*	.	H	α-helix	trans	-63.9	-40.7	172.7	174.1	-101.2	0	0	0	112.2	R270 L271 L272 K276	R270-N274 PolarHBondContact O-N 3.21Å; L271-N274 WeakPolarHBondContact O-CB 3.43Å; L271-N274 PolarHBondContact O-N 3.11Å; L271-N274 VanDerWaalsContact O-N 3.1Å; L272-N274 VanDerWaalsContact C-N 3.35Å; N274-K276 PolarHBondContact O-N 3Å
275	L	86.6	Confident	82.7	Confident	63 Å²	63	74.8 Å²	74.8	33%	0.33	36%	0.363	S	S	.	.	H	α-helix	trans	-72.8	-9.3	175.8	-62.6	175.9	0	0	0	113.5	F157 F160 L271 L272 E277	F157-L275 HydrophobicContact CE2-CD1 3.81Å; F157-L275 HydrophobicContact CZ-CD1 3.79Å; F160-L275 HydrophobicContact CE2-CD1 4.05Å; F160-L275 HydrophobicContact CZ-CD1 4.12Å; F160-L275 HydrophobicContact CZ-CD2 4.36Å; F160-L275 HydrophobicContact CZ-CG 4.33Å; L271-L275 WeakPolarHBondContact O-CG 3.4Å; L271-L275 PolarHBondContact O-N 3.4Å; L272-L275 HydrophobicContact CD2-CD1 4.49Å; L272-L275 CarbonylContact O-C 3.59Å; L272-L275 PolarHBondContact O-N 3.39Å; L275-E277 HydrophobicContact CB-CB 4.5Å; L275-E277 HydrophobicContact CB-CG 3.95Å; L275-E277 PolarHBondContact O-N 2.93Å
276	K	89.7	Confident	81.5	Confident	179 Å²	179	76.6 Å²	76.6	78%	0.778	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	26.9	-174.1	-49.2	179.6	-178.3	-179.9	0	113.3	L272 A273 N274	L272-K276 PolarHBondContact O-N 3.36Å; A273-K276 PolarHBondContact O-N 3.32Å; N274-K276 PolarHBondContact O-N 3Å
277	E	78.4	Confident	80.2	Confident	92 Å²	92	83.1 Å²	83.1	43%	0.43	41%	0.405	S	S	.	.	S	Bend	trans	-90.9	-26.2	177.1	-67.7	-172.6	178.7	0	0	112.3	T154 R171 L272 L275	T154-E277 PolarHBondContact OG1-OE2 3.34Å; R171-E277 IonicContact NH1-OE2 2.95Å; L272-E277 HydrophobicContact CD2-CB 4.23Å; L272-E277 WeakPolarHBondContact CD2-OE2 3.29Å; L272-E277 PolarHBondContact O-N 3.02Å; L275-E277 HydrophobicContact CB-CB 4.5Å; L275-E277 HydrophobicContact CB-CG 3.95Å; L275-E277 PolarHBondContact O-N 2.93Å
278	M	81.8	Confident	78.5	Confident	40 Å²	40	81.8 Å²	81.8	20%	0.197	40%	0.399	C	S	.	.			trans	-152.6	135	179.3	-172.8	-179.4	-65.2	0	0	109.7	F145 V168 W175 L272 A273	F145-M278 HydrophobicContact CE1-CE 3.94Å; F145-M278 HydrophobicContact CZ-CE 3.67Å; V168-M278 HydrophobicContact CG1-CE 4.06Å; W175-M278 HydrophobicContact CH2-CE 4.27Å; W175-M278 HydrophobicContact CH2-SD 4.19Å; L272-M278 CarbonylContact C-O 3.6Å; L272-M278 HydrophobicContact CB-CB 3.85Å; L272-M278 HydrophobicContact CD1-CB 4.34Å; L272-M278 HydrophobicContact CD1-CE 4.16Å; L272-M278 HydrophobicContact CD1-SD 4.19Å; L272-M278 PolarHBondContact O-N 2.86Å; A273-M278 WeakPolarHBondContact CA-O 3.31Å; A273-M278 PolarHBondContact N-O 3.04Å
279	E	75.2	Confident	76.9	Confident	99 Å²	99	81.5 Å²	81.5	46%	0.463	40%	0.4	S	S	.	.			trans	-119.7	152.3	173	-64.3	-170.5	157.8	0	0	110.1	R296	E279-R296 WeakPolarHBondContact OE2-CD 3.29Å; E279-R296 IonicContact OE2-CZ 3.47Å; E279-R296 IonicContact OE2-NH1 2.78Å; E279-R296 PolarHBondContact OE2-NH1 2.88Å
280	E	76.1	Confident	76	Confident	30 Å²	30	86.9 Å²	86.9	14%	0.14	44%	0.439	C	S	.	.			trans	-66.7	155.8	166.7	-71.4	172.1	-161.1	0	0	111.2	I269 F282 P298 R300 S301	I269-E280 HydrophobicContact CG2-CG 4.1Å; E280-F282 PolarHBondContact O-N 3.35Å; E280-P298 HydrophobicContact CG-CB 4.47Å; E280-P298 VanDerWaalsContact OE1-C 3.28Å; E280-P298 VanDerWaalsContact OE1-CA 3.3Å; E280-P298 WeakPolarHBondContact OE1-CA 3.34Å; E280-P298 VanDerWaalsContact OE1-CB 3.23Å; E280-P298 WeakPolarHBondContact OE1-CB 3.33Å; E280-R300 WeakPolarHBondContact OE2-CA 3.33Å; E280-R300 WeakPolarHBondContact OE2-CB 3.5Å; E280-R300 PolarHBondContact OE2-N 3.32Å; E280-S301 WeakPolarHBondContact OE1-CA 3.4Å; E280-S301 WeakPolarHBondContact OE1-CB 3.33Å; E280-S301 PolarHBondContact OE1-N 3.01Å; E280-S301 PolarHBondContact OE1-OG 3.41Å
281	P	70.3	Confident	74.7	Confident	96 Å²	96	86.6 Å²	86.6	62%	0.623	46%	0.455	S	S	*	.			trans	-54.3	131.9	169.9	-23.4	32.9	0	0	0	111.5
282	F	65.9	Low	73.3	Confident	69 Å²	69	86.3 Å²	86.3	30%	0.303	45%	0.453	S	S	.	.			trans	-115.5	119.2	-179.9	-163.9	-94.8	0	0	0	109.7	E280 Q286 R296	E280-F282 PolarHBondContact O-N 3.35Å; F282-Q286 HydrophobicContact CD1-CB 4.12Å; F282-Q286 HydrophobicContact CD2-CB 4.38Å; F282-Q286 HydrophobicContact CD2-CG 4.13Å; F282-Q286 HydrophobicContact CE1-CB 3.8Å; F282-Q286 HydrophobicContact CE1-CG 4.36Å; F282-Q286 WeakPolarHBondContact CE1-O 3.15Å; F282-Q286 HydrophobicContact CE2-CB 4.07Å; F282-Q286 HydrophobicContact CE2-CG 3.71Å; F282-Q286 HydrophobicContact CG-CB 4.41Å; F282-Q286 HydrophobicContact CZ-CB 3.78Å; F282-Q286 HydrophobicContact CZ-CG 3.85Å; F282-Q286 WeakPolarHBondContact CZ-O 3.13Å; F282-R296 HydrophobicContact CD2-CG 4.07Å; F282-R296 HydrophobicContact CE2-CB 4.47Å; F282-R296 HydrophobicContact CE2-CG 3.96Å; F282-R296 HydrophobicContact CZ-CG 4.38Å
283	E	65.8	Low	72.4	Confident	117 Å²	117	92.2 Å²	92.2	55%	0.547	49%	0.491	S	S	.	.			trans	-69.8	150.1	-178.1	-59.9	172	-165.1	0	0	111.2	Q285 Q286 R300	E283-Q285 PolarHBondContact O-N 2.93Å; E283-Q286 HydrophobicContact CB-CB 4.03Å; E283-Q286 VanDerWaalsContact O-CB 3.31Å; E283-Q286 WeakPolarHBondContact O-CB 3.23Å; E283-Q286 PolarHBondContact O-N 3.48Å; E283-R300 IonicContact OE1-NH2 3.9Å; E283-R300 PolarHBondContact OE1-NH2 3.03Å
284	K	63.8	Low	72	Confident	218 Å²	218	100 Å²	100	95%	0.948	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.8	-174.8	-169.3	177.5	179.7	-179.7	0	114
285	Q	72.1	Confident	71.3	Confident	173 Å²	173	98.2 Å²	98.2	81%	0.808	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	5.5	-179.8	-65.4	178.4	-18.9	0	0	113.1	E283 I287	E283-Q285 PolarHBondContact O-N 2.93Å; Q285-I287 PolarHBondContact O-N 3.26Å
286	Q	66.1	Low	70.9	Confident	40 Å²	40	101.9 Å²	101.9	19%	0.187	51%	0.514	C	S	.	.			trans	-68.2	127.8	-177.6	-174.4	172.5	-21.3	0	0	109.9	F282 E283 M299	F282-Q286 HydrophobicContact CD1-CB 4.12Å; F282-Q286 HydrophobicContact CD2-CB 4.38Å; F282-Q286 HydrophobicContact CD2-CG 4.13Å; F282-Q286 HydrophobicContact CE1-CB 3.8Å; F282-Q286 HydrophobicContact CE1-CG 4.36Å; F282-Q286 WeakPolarHBondContact CE1-O 3.15Å; F282-Q286 HydrophobicContact CE2-CB 4.07Å; F282-Q286 HydrophobicContact CE2-CG 3.71Å; F282-Q286 HydrophobicContact CG-CB 4.41Å; F282-Q286 HydrophobicContact CZ-CB 3.78Å; F282-Q286 HydrophobicContact CZ-CG 3.85Å; F282-Q286 WeakPolarHBondContact CZ-O 3.13Å; E283-Q286 HydrophobicContact CB-CB 4.03Å; E283-Q286 VanDerWaalsContact O-CB 3.31Å; E283-Q286 WeakPolarHBondContact O-CB 3.23Å; E283-Q286 PolarHBondContact O-N 3.48Å; Q286-M299 HydrophobicContact CG-CE 4.49Å; Q286-M299 VanDerWaalsContact NE2-CE 3.3Å
287	I	62.3	Low	70.6	Confident	137 Å²	137	95.6 Å²	95.6	70%	0.703	49%	0.488	S	S	*	.			trans	-95.6	112.9	171.7	-61.6	175.9	0	0	0	107	Q285 S289	Q285-I287 PolarHBondContact O-N 3.26Å; I287-S289 VanDerWaalsContact CG2-O 3.28Å; I287-S289 WeakPolarHBondContact CG2-O 3.38Å
288	G	61	Low	70.8	Confident	12 Å²	12	92.1 Å²	92.1	12%	0.124	47%	0.474	C	S	.	.	S	Bend	trans	-76.7	-27.6	-177.7	0	0	0	0	0	113.9	K295 N297	G288-K295 CarbonylContact C-O 3.57Å; G288-K295 WeakPolarHBondContact CA-O 3.47Å; G288-N297 PolarHBondContact O-ND2 3.4Å
289	S	63.6	Low	70.8	Confident	27 Å²	27	93.3 Å²	93.3	19%	0.189	48%	0.48	C	S	.	.			trans	-152.4	140.3	174.2	177.1	0	0	0	0	109.8	I287 A291 M292	I287-S289 VanDerWaalsContact CG2-O 3.28Å; I287-S289 WeakPolarHBondContact CG2-O 3.38Å; S289-A291 PolarHBondContact O-N 3.11Å; S289-A291 PolarHBondContact OG-N 3.1Å; S289-M292 PolarHBondContact OG-N 3.37Å
290	S	69.6	Low	71	Confident	131 Å²	131	91.6 Å²	91.6	92%	0.916	47%	0.469	S	S	*	.	S	Bend	trans	-64.3	-16.6	175.2	51.1	0	0	0	0	114
291	A	63.3	Low	71.1	Confident	81 Å²	81	90.4 Å²	90.4	67%	0.669	46%	0.464	S	S	*	.	S	Bend	trans	-118.9	-18.6	-174.9	0	0	0	0	0	114.4	S289	S289-A291 PolarHBondContact O-N 3.11Å; S289-A291 PolarHBondContact OG-N 3.1Å
292	M	66.8	Low	71.9	Confident	60 Å²	60	89.9 Å²	89.9	30%	0.296	45%	0.453	S	S	.	.			trans	-132.7	100.7	-172.6	-71	178.9	-79.2	0	0	111.2	S289 Y294 K295	S289-M292 PolarHBondContact OG-N 3.37Å; M292-Y294 HydrophobicContact CB-CE1 4.32Å; M292-Y294 HydrophobicContact CG-CE1 4.44Å; M292-Y294 PolarHBondContact O-N 3.43Å; M292-Y294 HydrophobicContact SD-CE2 4.47Å; M292-K295 HydrophobicContact CB-CB 3.8Å; M292-K295 HydrophobicContact CE-CD 3.5Å; M292-K295 PolarHBondContact O-N 3.12Å; M292-K295 VanDerWaalsContact O-N 3.13Å; M292-K295 HydrophobicContact SD-CD 4.3Å
293	P	67.8	Low	72.8	Confident	131 Å²	131	90.3 Å²	90.3	85%	0.851	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21	-174	23.7	-31.9	0	0	0	114
294	Y	72.7	Confident	73.4	Confident	183 Å²	183	84.9 Å²	84.9	72%	0.718	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.7	177.1	59.4	-97.8	0	0	0	113.8	M292 R296	M292-Y294 HydrophobicContact CB-CE1 4.32Å; M292-Y294 HydrophobicContact CG-CE1 4.44Å; M292-Y294 PolarHBondContact O-N 3.43Å; M292-Y294 HydrophobicContact SD-CE2 4.47Å; Y294-R296 PolarHBondContact O-N 3.14Å
295	K	78.9	Confident	74.4	Confident	84 Å²	84	74.6 Å²	74.6	37%	0.365	38%	0.383	S	S	.	.			trans	-84	115.7	-173.5	-176.8	173.9	178.6	176	0	110.8	G288 M292 N297	G288-K295 CarbonylContact C-O 3.57Å; G288-K295 WeakPolarHBondContact CA-O 3.47Å; M292-K295 HydrophobicContact CB-CB 3.8Å; M292-K295 HydrophobicContact CE-CD 3.5Å; M292-K295 PolarHBondContact O-N 3.12Å; M292-K295 VanDerWaalsContact O-N 3.13Å; M292-K295 HydrophobicContact SD-CD 4.3Å; K295-N297 WeakPolarHBondContact CE-OD1 3.5Å
296	R	77.1	Confident	75.1	Confident	141 Å²	141	69.5 Å²	69.5	53%	0.532	37%	0.367	S	S	.	.			trans	-105.4	126.7	171.8	-64.9	-177.2	175.8	178.2	-1.3	109.9	E279 F282 Y294	E279-R296 WeakPolarHBondContact OE2-CD 3.29Å; E279-R296 IonicContact OE2-CZ 3.47Å; E279-R296 IonicContact OE2-NH1 2.78Å; E279-R296 PolarHBondContact OE2-NH1 2.88Å; F282-R296 HydrophobicContact CD2-CG 4.07Å; F282-R296 HydrophobicContact CE2-CB 4.47Å; F282-R296 HydrophobicContact CE2-CG 3.96Å; F282-R296 HydrophobicContact CZ-CG 4.38Å; Y294-R296 PolarHBondContact O-N 3.14Å
297	N	84.3	Confident	75.8	Confident	46 Å²	46	68.9 Å²	68.9	25%	0.246	36%	0.364	C	S	.	.			trans	-112.9	140.8	179.1	-61.4	-51.5	0	0	0	109.6	G288 K295 M299	G288-N297 PolarHBondContact O-ND2 3.4Å; K295-N297 WeakPolarHBondContact CE-OD1 3.5Å; N297-M299 HydrophobicContact CB-CG 3.77Å; N297-M299 PolarHBondContact O-N 2.89Å
298	P	81.9	Confident	76.7	Confident	19 Å²	19	62.4 Å²	62.4	12%	0.123	33%	0.331	C	S	.	.			trans	-75.3	57.1	175.6	33.5	-37	0	0	0	111.9	R270 A273 E280 R300 S301 E302	R270-P298 HydrophobicContact CB-CG 4.22Å; R270-P298 HydrophobicContact CG-CB 3.99Å; R270-P298 HydrophobicContact CG-CG 3.77Å; A273-P298 HydrophobicContact CB-CB 4.3Å; A273-P298 HydrophobicContact CB-CG 4.29Å; E280-P298 HydrophobicContact CG-CB 4.47Å; E280-P298 VanDerWaalsContact OE1-C 3.28Å; E280-P298 VanDerWaalsContact OE1-CA 3.3Å; E280-P298 WeakPolarHBondContact OE1-CA 3.34Å; E280-P298 VanDerWaalsContact OE1-CB 3.23Å; E280-P298 WeakPolarHBondContact OE1-CB 3.33Å; P298-R300 VanDerWaalsContact C-N 3.26Å; P298-R300 PolarHBondContact O-N 3.38Å; P298-S301 PolarHBondContact O-N 3.02Å; P298-E302 WeakPolarHBondContact O-CG 3.44Å; P298-E302 PolarHBondContact O-N 3.32Å
299	M	82.6	Confident	78	Confident	65 Å²	65	67.8 Å²	67.8	32%	0.32	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-26.8	-170.7	-63.4	-177.3	-68.5	0	0	112.8	Q286 N297 R303	Q286-M299 HydrophobicContact CG-CE 4.49Å; Q286-M299 VanDerWaalsContact NE2-CE 3.3Å; N297-M299 HydrophobicContact CB-CG 3.77Å; N297-M299 PolarHBondContact O-N 2.89Å; M299-R303 WeakPolarHBondContact O-CB 3.3Å; M299-R303 PolarHBondContact O-N 2.97Å; M299-R303 VanDerWaalsContact O-N 3.08Å
300	R	78.8	Confident	79	Confident	64 Å²	64	69 Å²	69	24%	0.242	35%	0.351	C	S	.	.	H	α-helix	trans	-74.7	-43	178.3	-55.4	176.8	173.8	-177.3	-2.4	109.5	E280 E283 P298 R303 C304	E280-R300 WeakPolarHBondContact OE2-CA 3.33Å; E280-R300 WeakPolarHBondContact OE2-CB 3.5Å; E280-R300 PolarHBondContact OE2-N 3.32Å; E283-R300 IonicContact OE1-NH2 3.9Å; E283-R300 PolarHBondContact OE1-NH2 3.03Å; P298-R300 VanDerWaalsContact C-N 3.26Å; P298-R300 PolarHBondContact O-N 3.38Å; R300-R303 PolarHBondContact O-N 3.39Å; R300-C304 PolarHBondContact O-N 2.99Å; R300-C304 PolarHBondContact O-SG 3.09Å
301	S	79	Confident	79.5	Confident	5 Å²	5	63.6 Å²	63.6	4%	0.035	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-40.5	174.3	-65.1	0	0	0	0	112.1	C266 I269 E280 P298 R303 C304 C305	C266-S301 VanDerWaalsContact SG-CA 3.56Å; I269-S301 WeakPolarHBondContact CG2-OG 3.47Å; E280-S301 WeakPolarHBondContact OE1-CA 3.4Å; E280-S301 WeakPolarHBondContact OE1-CB 3.33Å; E280-S301 PolarHBondContact OE1-N 3.01Å; E280-S301 PolarHBondContact OE1-OG 3.41Å; P298-S301 PolarHBondContact O-N 3.02Å; S301-R303 VanDerWaalsContact C-N 3.31Å; S301-R303 PolarHBondContact O-N 3.24Å; S301-C304 PolarHBondContact O-N 3.45Å; S301-C305 PolarHBondContact O-N 3.01Å; S301-C305 PolarHBondContact O-SG 2.97Å
302	E	86.1	Confident	80.8	Confident	85 Å²	85	62.7 Å²	62.7	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-43	175	-74	175.4	146.9	0	0	111.9	R270 P298 C305 S306	R270-E302 HydrophobicContact CG-CG 4.35Å; P298-E302 WeakPolarHBondContact O-CG 3.44Å; P298-E302 PolarHBondContact O-N 3.32Å; E302-C305 PolarHBondContact O-N 3.12Å; E302-S306 WeakPolarHBondContact O-CB 3.37Å; E302-S306 PolarHBondContact O-N 3.14Å
303	R	84.6	Confident	81.8	Confident	78 Å²	78	64 Å²	64	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-43.8	175.2	-172.8	-175.8	-59.7	174.6	6.9	111.9	Y21 M299 R300 S301 S306 L307 Y364	Y21-R303 HydrophobicContact CE1-CG 4.35Å; M299-R303 WeakPolarHBondContact O-CB 3.3Å; M299-R303 PolarHBondContact O-N 2.97Å; M299-R303 VanDerWaalsContact O-N 3.08Å; R300-R303 PolarHBondContact O-N 3.39Å; S301-R303 VanDerWaalsContact C-N 3.31Å; S301-R303 PolarHBondContact O-N 3.24Å; R303-S306 WeakPolarHBondContact O-CB 3.43Å; R303-S306 PolarHBondContact O-N 3.27Å; R303-S306 VanDerWaalsContact O-N 3.16Å; R303-L307 HydrophobicContact CG-CD1 4.12Å; R303-L307 PolarHBondContact O-N 3.19Å; R303-Y364 HydrophobicContact CB-CE1 4.47Å; R303-Y364 VanDerWaalsContact CD-CE1 3.4Å; R303-Y364 WeakPolarHBondContact CD-OH 3.35Å; R303-Y364 HydrophobicContact CG-CD1 4.33Å; R303-Y364 HydrophobicContact CG-CE1 3.97Å; R303-Y364 PolarHBondContact NH1-OH 3.13Å
304	C	78.7	Confident	82.6	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-46.4	176	-69.3	0	0	0	0	111.2	V262 C266 R300 S301 S306 L307 A308 F369	V262-C304 HydrophobicContact CG1-CB 4.03Å; C266-C304 WeakPolarHBondContact SG-CB 3.19Å; R300-C304 PolarHBondContact O-N 2.99Å; R300-C304 PolarHBondContact O-SG 3.09Å; S301-C304 PolarHBondContact O-N 3.45Å; C304-S306 VanDerWaalsContact C-N 3.3Å; C304-S306 PolarHBondContact O-N 3.43Å; C304-L307 PolarHBondContact O-N 2.83Å; C304-A308 WeakPolarHBondContact O-CB 3.03Å; C304-A308 PolarHBondContact O-N 3.37Å; C304-F369 HydrophobicContact CB-CE2 4.01Å; C304-F369 HydrophobicContact CB-CZ 4.47Å
305	C	84.5	Confident	83.5	Confident	2 Å²	2	51 Å²	51	1%	0.014	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-43.2	172.4	-72.8	0	0	0	0	112.1	H263 C266 S301 E302 R309	H263-C305 PolarHBondContact CD2-O 3.34Å; H263-C305 VanDerWaalsContact CD2-O 3.23Å; C266-C305 WeakPolarHBondContact CB-SG 3.45Å; S301-C305 PolarHBondContact O-N 3.01Å; S301-C305 PolarHBondContact O-SG 2.97Å; E302-C305 PolarHBondContact O-N 3.12Å; C305-R309 WeakPolarHBondContact O-CB 3.24Å; C305-R309 PolarHBondContact O-N 2.96Å
306	S	87.4	Confident	84.2	Confident	67 Å²	67	51.6 Å²	51.6	47%	0.469	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-48	-179.2	-167.3	0	0	0	0	112.2	E302 R303 C304 H310	E302-S306 WeakPolarHBondContact O-CB 3.37Å; E302-S306 PolarHBondContact O-N 3.14Å; R303-S306 WeakPolarHBondContact O-CB 3.43Å; R303-S306 PolarHBondContact O-N 3.27Å; R303-S306 VanDerWaalsContact O-N 3.16Å; C304-S306 VanDerWaalsContact C-N 3.3Å; C304-S306 PolarHBondContact O-N 3.43Å; S306-H310 PolarHBondContact O-N 2.91Å
307	L	80.8	Confident	84.9	Confident	26 Å²	26	46.9 Å²	46.9	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-72.6	-39.1	179.9	-66.3	174.3	0	0	0	112.1	L17 Y21 R303 C304 R309 H310 L311 Y361 Y364	L17-L307 HydrophobicContact CD2-CD2 4.21Å; Y21-L307 HydrophobicContact CD2-CD2 4.41Å; Y21-L307 HydrophobicContact CG-CD1 4.36Å; R303-L307 HydrophobicContact CG-CD1 4.12Å; R303-L307 PolarHBondContact O-N 3.19Å; C304-L307 PolarHBondContact O-N 2.83Å; L307-R309 VanDerWaalsContact C-N 3.28Å; L307-R309 PolarHBondContact O-N 3.35Å; L307-H310 WeakPolarHBondContact O-CB 3.47Å; L307-H310 PolarHBondContact O-N 3.16Å; L307-H310 VanDerWaalsContact O-N 3.09Å; L307-L311 PolarHBondContact O-N 3.31Å; L307-Y361 HydrophobicContact CD2-CD1 4.35Å; L307-Y361 HydrophobicContact CD2-CE1 4.3Å; L307-Y364 HydrophobicContact CD1-CD1 3.69Å; L307-Y364 HydrophobicContact CD1-CD2 4.46Å; L307-Y364 HydrophobicContact CD1-CG 3.59Å
308	A	81.6	Confident	85.4	Confident	1 Å²	1	45 Å²	45	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-36.5	175.7	0	0	0	0	0	112.3	G259 V262 H263 C304 H310 L311 M312	G259-A308 WeakPolarHBondContact O-CB 3.36Å; V262-A308 HydrophobicContact CB-CB 4.26Å; V262-A308 HydrophobicContact CG1-CB 4.05Å; H263-A308 HydrophobicContact CB-CB 4.11Å; C304-A308 WeakPolarHBondContact O-CB 3.03Å; C304-A308 PolarHBondContact O-N 3.37Å; A308-H310 VanDerWaalsContact C-N 3.31Å; A308-H310 PolarHBondContact O-N 2.85Å; A308-L311 WeakPolarHBondContact O-CB 3.43Å; A308-L311 PolarHBondContact O-N 3.3Å; A308-M312 WeakPolarHBondContact O-CG 3.42Å; A308-M312 PolarHBondContact O-N 3.02Å
309	R	88.9	Confident	86.2	Confident	125 Å²	125	47.5 Å²	47.5	47%	0.472	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-41.9	172.3	-172.7	-177.3	-55.4	114.6	11.1	112.3	H263 C305 L307 M312 T313	H263-R309 PolarHBondContact NE2-NH2 2.78Å; H263-R309 VanDerWaalsContact NE2-NH2 3.18Å; C305-R309 WeakPolarHBondContact O-CB 3.24Å; C305-R309 PolarHBondContact O-N 2.96Å; L307-R309 VanDerWaalsContact C-N 3.28Å; L307-R309 PolarHBondContact O-N 3.35Å; R309-M312 HydrophobicContact CB-CE 4.42Å; R309-M312 PolarHBondContact O-N 2.94Å; R309-T313 PolarHBondContact O-N 3.4Å; R309-T313 VanDerWaalsContact O-N 3.14Å; R309-T313 PolarHBondContact O-OG1 3.24Å
310	H	84.7	Confident	86.9	Confident	54 Å²	54	49.5 Å²	49.5	25%	0.25	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-42.4	176.9	-168	75.3	0	0	0	111.4	S306 L307 A308 M312 T313 L314 Y361	S306-H310 PolarHBondContact O-N 2.91Å; L307-H310 WeakPolarHBondContact O-CB 3.47Å; L307-H310 PolarHBondContact O-N 3.16Å; L307-H310 VanDerWaalsContact O-N 3.09Å; A308-H310 VanDerWaalsContact C-N 3.31Å; A308-H310 PolarHBondContact O-N 2.85Å; H310-M312 VanDerWaalsContact C-N 3.27Å; H310-M312 PolarHBondContact O-N 3.33Å; H310-T313 WeakPolarHBondContact O-CB 3.47Å; H310-T313 PolarHBondContact O-N 2.97Å; H310-L314 WeakPolarHBondContact NE2-CD2 3.47Å; H310-L314 WeakPolarHBondContact NE2-CG 3Å; H310-L314 PolarHBondContact O-N 2.9Å; H310-L314 VanDerWaalsContact O-N 3.12Å; H310-Y361 HydrophobicContact CB-CD1 4.24Å; H310-Y361 HydrophobicContact CB-CE1 4.28Å; H310-Y361 AromaticContact CD2-CD1 3.42Å; H310-Y361 VanDerWaalsContact CD2-CD1 3.42Å; H310-Y361 WeakPolarHBondContact CD2-CD1 2.99Å; H310-Y361 AromaticContact CD2-CD2 2.96Å; H310-Y361 WeakPolarHBondContact CD2-CD2 3.3Å; H310-Y361 AromaticContact CD2-CE1 3.73Å; H310-Y361 AromaticContact CD2-CE2 3.31Å; H310-Y361 WeakPolarHBondContact CD2-CE2 3.48Å; H310-Y361 AromaticContact CD2-CG 3.03Å; H310-Y361 AromaticContact CD2-CZ 3.66Å; H310-Y361 AromaticContact CE1-CD2 3.82Å; H310-Y361 AromaticContact CE1-CE2 3.47Å; H310-Y361 VanDerWaalsContact CE1-CE2 3.47Å; H310-Y361 WeakPolarHBondContact CE1-CE2 3.33Å; H310-Y361 AromaticContact CE1-CZ 3.93Å; H310-Y361 AromaticContact CG-CD1 3.86Å; H310-Y361 AromaticContact CG-CD2 3.93Å; H310-Y361 AromaticContact CG-CE1 3.81Å; H310-Y361 AromaticContact CG-CE2 3.87Å; H310-Y361 AromaticContact CG-CG 3.92Å; H310-Y361 AromaticContact CG-CZ 3.8Å; H310-Y361 AromaticContact ND1-CE2 3.97Å; H310-Y361 AromaticContact ND1-CZ 3.98Å; H310-Y361 AromaticContact NE2-CD2 2.87Å; H310-Y361 WeakPolarHBondContact NE2-CD2 3.4Å; H310-Y361 AromaticContact NE2-CE2 3Å; H310-Y361 WeakPolarHBondContact NE2-CE2 3.39Å; H310-Y361 AromaticContact NE2-CG 3.53Å; H310-Y361 AromaticContact NE2-CZ 3.73Å
311	L	80.3	Confident	87.9	Confident	16 Å²	16	46.9 Å²	46.9	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-40	176.1	-166.7	58.8	0	0	0	112.4	L255 L307 A308 I362	L255-L311 HydrophobicContact CB-CD1 4.02Å; L255-L311 HydrophobicContact CB-CD2 4.33Å; L255-L311 HydrophobicContact CB-CG 4.27Å; L255-L311 WeakPolarHBondContact O-CD2 3.11Å; L255-L311 WeakPolarHBondContact O-CG 3.43Å; L307-L311 PolarHBondContact O-N 3.31Å; A308-L311 WeakPolarHBondContact O-CB 3.43Å; A308-L311 PolarHBondContact O-N 3.3Å; L311-I362 HydrophobicContact CD1-CG1 3.51Å
312	M	88.9	Confident	88.8	Confident	63 Å²	63	48 Å²	48	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-36	172.8	-71.3	-173.4	-70.2	0	0	113.2	A256 A260 H263 A308 R309 H310 V315	A256-M312 WeakPolarHBondContact O-CG 3.31Å; A260-M312 HydrophobicContact CB-SD 3.75Å; H263-M312 HydrophobicContact CB-CE 4.23Å; A308-M312 WeakPolarHBondContact O-CG 3.42Å; A308-M312 PolarHBondContact O-N 3.02Å; R309-M312 HydrophobicContact CB-CE 4.42Å; R309-M312 PolarHBondContact O-N 2.94Å; H310-M312 VanDerWaalsContact C-N 3.27Å; H310-M312 PolarHBondContact O-N 3.33Å; M312-V315 WeakPolarHBondContact O-CG1 3.31Å
313	T	88.9	Confident	89.4	Confident	87 Å²	87	48.2 Å²	48.2	53%	0.534	26%	0.255	S	S	.	.	H	α-helix	trans	-70	-35.8	-177.7	-58.4	0	0	0	0	111.9	R309 H310 V315 M316	R309-T313 PolarHBondContact O-N 3.4Å; R309-T313 VanDerWaalsContact O-N 3.14Å; R309-T313 PolarHBondContact O-OG1 3.24Å; H310-T313 WeakPolarHBondContact O-CB 3.47Å; H310-T313 PolarHBondContact O-N 2.97Å; T313-V315 PolarHBondContact O-N 2.67Å; T313-V315 VanDerWaalsContact O-N 3.14Å; T313-M316 PolarHBondContact O-N 3.37Å
314	L	84.6	Confident	90	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.068	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.6	-175.8	-74.6	174.2	0	0	0	114.5	H310 M316 D317 P318 Y361	H310-L314 WeakPolarHBondContact NE2-CD2 3.47Å; H310-L314 WeakPolarHBondContact NE2-CG 3Å; H310-L314 PolarHBondContact O-N 2.9Å; H310-L314 VanDerWaalsContact O-N 3.12Å; L314-M316 PolarHBondContact O-N 3.05Å; L314-M316 VanDerWaalsContact O-N 3.1Å; L314-D317 WeakPolarHBondContact O-CB 3.44Å; L314-D317 PolarHBondContact O-N 2.89Å; L314-D317 VanDerWaalsContact O-N 3.12Å; L314-P318 WeakPolarHBondContact O-CD 3.5Å; L314-Y361 HydrophobicContact CD1-CD2 4.36Å; L314-Y361 HydrophobicContact CD1-CG 4.44Å
315	V	90.2	Very high	91	Very high	27 Å²	27	49.4 Å²	49.4	16%	0.164	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.8	179.9	75.6	0	0	0	0	112.9	A256 M312 T313 D317 P318 L319	A256-V315 HydrophobicContact CB-CB 3.91Å; A256-V315 HydrophobicContact CB-CG1 4.48Å; A256-V315 HydrophobicContact CB-CG2 4.29Å; M312-V315 WeakPolarHBondContact O-CG1 3.31Å; T313-V315 PolarHBondContact O-N 2.67Å; T313-V315 VanDerWaalsContact O-N 3.14Å; V315-D317 VanDerWaalsContact C-N 3.3Å; V315-D317 PolarHBondContact O-N 2.94Å; V315-P318 VanDerWaalsContact O-CD 3.3Å; V315-P318 WeakPolarHBondContact O-CD 3.34Å; V315-P318 WeakPolarHBondContact O-CG 3.16Å; V315-L319 HydrophobicContact CG1-CD1 4.5Å; V315-L319 HydrophobicContact CG2-CD1 4.24Å; V315-L319 WeakPolarHBondContact O-CD1 3.4Å; V315-L319 VanDerWaalsContact O-CG 3.29Å; V315-L319 WeakPolarHBondContact O-CG 3.31Å; V315-L319 PolarHBondContact O-N 3.2Å
316	M	95.4	Very high	91.6	Very high	98 Å²	98	57.9 Å²	57.9	48%	0.483	30%	0.3	S	S	.	.	H	α-helix	trans	-69.7	-27.3	-179.9	-63.5	-52.2	-56.9	0	0	112.9	T313 L314 L319 Q320	T313-M316 PolarHBondContact O-N 3.37Å; L314-M316 PolarHBondContact O-N 3.05Å; L314-M316 VanDerWaalsContact O-N 3.1Å; M316-L319 HydrophobicContact CE-CD1 4.47Å; M316-L319 HydrophobicContact SD-CD1 3.98Å; M316-Q320 WeakPolarHBondContact O-CB 2.87Å; M316-Q320 VanDerWaalsContact O-CG 3.3Å; M316-Q320 WeakPolarHBondContact O-CG 2.96Å; M316-Q320 PolarHBondContact O-N 2.7Å; M316-Q320 PolarHBondContact O-NE2 3.04Å
317	D	91.8	Very high	92.1	Very high	42 Å²	42	63.9 Å²	63.9	23%	0.225	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-61.2	179.1	-83.7	-29.3	0	0	0	112.1	L314 V315 L319 Q320 T321 N336 A340	L314-D317 WeakPolarHBondContact O-CB 3.44Å; L314-D317 PolarHBondContact O-N 2.89Å; L314-D317 VanDerWaalsContact O-N 3.12Å; V315-D317 VanDerWaalsContact C-N 3.3Å; V315-D317 PolarHBondContact O-N 2.94Å; D317-L319 VanDerWaalsContact C-N 3.27Å; D317-L319 PolarHBondContact O-N 3.04Å; D317-Q320 PolarHBondContact O-N 3.41Å; D317-T321 WeakPolarHBondContact O-CB 3.43Å; D317-T321 PolarHBondContact O-N 3.46Å; D317-T321 PolarHBondContact O-OG1 3.45Å; D317-N336 WeakPolarHBondContact CB-OD1 3.42Å; D317-N336 PolarHBondContact OD1-ND2 3.14Å; D317-A340 HydrophobicContact CB-CB 3.89Å
318	P	94.6	Very high	92.9	Very high	7 Å²	7	67.5 Å²	67.5	5%	0.045	33%	0.334	C	S	.	.	H	α-helix	trans	-66.9	-28.4	-179.7	30.3	-39.2	0	0	0	112.9	D248 I249 L252 L314 V315 A322	D248-P318 HydrophobicContact CB-CB 3.94Å; I249-P318 HydrophobicContact CG1-CB 3.95Å; I249-P318 HydrophobicContact CG1-CG 4.5Å; I249-P318 WeakPolarHBondContact CG1-O 3.45Å; L252-P318 HydrophobicContact CB-CG 3.89Å; L252-P318 HydrophobicContact CD2-CB 4.47Å; L252-P318 HydrophobicContact CD2-CG 3.65Å; L252-P318 HydrophobicContact CG-CG 4.35Å; L314-P318 WeakPolarHBondContact O-CD 3.5Å; V315-P318 VanDerWaalsContact O-CD 3.3Å; V315-P318 WeakPolarHBondContact O-CD 3.34Å; V315-P318 WeakPolarHBondContact O-CG 3.16Å; P318-A322 VanDerWaalsContact O-CB 3.27Å; P318-A322 WeakPolarHBondContact O-CB 3.1Å; P318-A322 PolarHBondContact O-N 3.23Å
319	L	97.6	Very high	93.7	Very high	70 Å²	70	69.4 Å²	69.4	37%	0.366	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-49.4	173.9	-77.1	171	0	0	0	110.9	I249 V315 M316 D317 S323	I249-L319 HydrophobicContact CD1-CD2 4.04Å; I249-L319 HydrophobicContact CG1-CD2 4.23Å; I249-L319 HydrophobicContact CG2-CD2 3.74Å; I249-L319 HydrophobicContact CG2-CG 4.38Å; V315-L319 HydrophobicContact CG1-CD1 4.5Å; V315-L319 HydrophobicContact CG2-CD1 4.24Å; V315-L319 WeakPolarHBondContact O-CD1 3.4Å; V315-L319 VanDerWaalsContact O-CG 3.29Å; V315-L319 WeakPolarHBondContact O-CG 3.31Å; V315-L319 PolarHBondContact O-N 3.2Å; M316-L319 HydrophobicContact CE-CD1 4.47Å; M316-L319 HydrophobicContact SD-CD1 3.98Å; D317-L319 VanDerWaalsContact C-N 3.27Å; D317-L319 PolarHBondContact O-N 3.04Å; L319-S323 WeakPolarHBondContact O-CB 3.21Å; L319-S323 PolarHBondContact O-N 3.32Å
320	Q	98.5	Very high	94.1	Very high	108 Å²	108	64.7 Å²	64.7	51%	0.505	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-50.7	177.9	-71.8	169.3	98.7	0	0	110.8	M316 D317 A322 S323 V324	M316-Q320 WeakPolarHBondContact O-CB 2.87Å; M316-Q320 VanDerWaalsContact O-CG 3.3Å; M316-Q320 WeakPolarHBondContact O-CG 2.96Å; M316-Q320 PolarHBondContact O-N 2.7Å; M316-Q320 PolarHBondContact O-NE2 3.04Å; D317-Q320 PolarHBondContact O-N 3.41Å; Q320-A322 PolarHBondContact O-N 2.97Å; Q320-S323 PolarHBondContact O-N 3.39Å; Q320-S323 VanDerWaalsContact O-N 3.11Å; Q320-S323 PolarHBondContact O-OG 3.18Å; Q320-V324 PolarHBondContact O-N 3.21Å
321	T	98	Very high	94.6	Very high	9 Å²	9	68.1 Å²	68.1	6%	0.055	35%	0.346	C	S	.	.	H	α-helix	trans	-54.9	-48.7	-179.1	-67.7	0	0	0	0	112.4	D317 S323 V324 Q325 D333 N336	D317-T321 WeakPolarHBondContact O-CB 3.43Å; D317-T321 PolarHBondContact O-N 3.46Å; D317-T321 PolarHBondContact O-OG1 3.45Å; T321-S323 VanDerWaalsContact C-N 3.3Å; T321-S323 PolarHBondContact O-N 3Å; T321-V324 PolarHBondContact O-N 3.48Å; T321-Q325 PolarHBondContact O-N 3.5Å; T321-D333 HydrophobicContact CG2-CB 3.52Å; T321-N336 PolarHBondContact OG1-OD1 3.18Å
322	A	98.2	Very high	95.2	Very high	27 Å²	27	71.3 Å²	71.3	22%	0.223	36%	0.363	C	S	.	.	H	α-helix	trans	-68.4	-30.4	-178.6	0	0	0	0	0	112.7	R245 I249 P318 Q320 V324	R245-A322 HydrophobicContact CB-CB 3.89Å; I249-A322 HydrophobicContact CD1-CB 3.65Å; I249-A322 HydrophobicContact CG1-CB 4.29Å; P318-A322 VanDerWaalsContact O-CB 3.27Å; P318-A322 WeakPolarHBondContact O-CB 3.1Å; P318-A322 PolarHBondContact O-N 3.23Å; Q320-A322 PolarHBondContact O-N 2.97Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 2.52Å
323	S	98.6	Very high	95.4	Very high	91 Å²	91	68.3 Å²	68.3	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-69.7	-23.2	-178.3	73.9	0	0	0	0	114	L319 Q320 T321	L319-S323 WeakPolarHBondContact O-CB 3.21Å; L319-S323 PolarHBondContact O-N 3.32Å; Q320-S323 PolarHBondContact O-N 3.39Å; Q320-S323 VanDerWaalsContact O-N 3.11Å; Q320-S323 PolarHBondContact O-OG 3.18Å; T321-S323 VanDerWaalsContact C-N 3.3Å; T321-S323 PolarHBondContact O-N 3Å
324	V	98.4	Very high	95.5	Very high	65 Å²	65	66.5 Å²	66.5	39%	0.394	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	9.1	-176.2	-58.1	0	0	0	0	113.4	Q320 T321 A322 W326	Q320-V324 PolarHBondContact O-N 3.21Å; T321-V324 PolarHBondContact O-N 3.48Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 2.52Å; V324-W326 PolarHBondContact O-N 2.88Å; V324-W326 PolarHBondContact O-NE1 2.98Å; V324-W326 VanDerWaalsContact O-NE1 3.15Å
325	Q	98.2	Very high	95.5	Very high	40 Å²	40	68.3 Å²	68.3	19%	0.187	36%	0.356	C	S	.	.			trans	-64.8	118.3	169.7	-83	-67.2	-59.9	0	0	110	R245 T321 T330 D332	R245-Q325 HydrophobicContact CG-CG 4.18Å; T321-Q325 PolarHBondContact O-N 3.5Å; Q325-T330 PolarHBondContact NE2-O 2.99Å; Q325-T330 PolarHBondContact NE2-OG1 3Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.15Å; Q325-T330 PolarHBondContact OE1-O 3.47Å; Q325-D332 PolarHBondContact NE2-OD1 3.44Å
326	W	97.9	Very high	95.5	Very high	179 Å²	179	69.2 Å²	69.2	68%	0.678	36%	0.36	S	S	*	.			trans	-91.5	129.2	179.1	-51.7	-26.2	0	0	0	111.1	V324 E328 R329 T330	V324-W326 PolarHBondContact O-N 2.88Å; V324-W326 PolarHBondContact O-NE1 2.98Å; V324-W326 VanDerWaalsContact O-NE1 3.15Å; W326-E328 PolarHBondContact O-N 3.46Å; W326-R329 CarbonylContact O-C 3.59Å; W326-R329 PolarHBondContact O-N 3.43Å; W326-T330 HydrophobicContact CB-CG2 3.66Å; W326-T330 HydrophobicContact CD2-CG2 3.94Å; W326-T330 HydrophobicContact CE3-CG2 3.7Å; W326-T330 HydrophobicContact CG-CG2 3.97Å; W326-T330 PolarHBondContact N-OG1 3.28Å
327	F	98.2	Very high	95.2	Very high	193 Å²	193	65 Å²	65	85%	0.846	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	-126.2	175.4	-54.6	-76.3	0	0	0	112.6
328	E	98.4	Very high	94.5	Very high	103 Å²	103	64.1 Å²	64.1	48%	0.481	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.1	-174.1	-71.2	66.4	-136	0	0	114.7	T202 Q241 W326	T202-E328 HydrophobicContact CG2-CG 4.49Å; Q241-E328 PolarHBondContact N-O 3.45Å; W326-E328 PolarHBondContact O-N 3.46Å
329	R	98.3	Very high	93.6	Very high	40 Å²	40	65.7 Å²	65.7	15%	0.151	35%	0.345	C	S	.	.			trans	175.3	146.5	167.9	-167.4	-159.7	172.7	130.8	-5.7	111.3	C113 D117 Q241 T242 W326 D333	C113-R329 PolarHBondContact SG-NH1 3.25Å; D117-R329 IonicContact OD1-NH1 3.52Å; Q241-R329 HydrophobicContact CB-CB 3.79Å; T242-R329 HydrophobicContact CG2-CB 4.36Å; T242-R329 VanDerWaalsContact CG2-CD 3.43Å; T242-R329 HydrophobicContact CG2-CG 3.7Å; W326-R329 CarbonylContact O-C 3.59Å; W326-R329 PolarHBondContact O-N 3.43Å; R329-D333 IonicContact CZ-OD1 3.48Å; R329-D333 IonicContact CZ-OD2 3.61Å; R329-D333 IonicContact NE-OD1 2.9Å; R329-D333 PolarHBondContact NE-OD1 2.85Å; R329-D333 IonicContact NE-OD2 3.13Å; R329-D333 IonicContact NH2-OD1 2.94Å; R329-D333 PolarHBondContact NH2-OD1 3.28Å; R329-D333 IonicContact NH2-OD2 2.67Å; R329-D333 PolarHBondContact NH2-OD2 3.08Å
330	T	96.4	Very high	92.2	Very high	27 Å²	27	62.5 Å²	62.5	17%	0.166	33%	0.328	C	S	.	.			trans	-119	147.8	156.4	47.8	0	0	0	0	111.4	Q325 W326 D332	Q325-T330 PolarHBondContact NE2-O 2.99Å; Q325-T330 PolarHBondContact NE2-OG1 3Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.15Å; Q325-T330 PolarHBondContact OE1-O 3.47Å; W326-T330 HydrophobicContact CB-CG2 3.66Å; W326-T330 HydrophobicContact CD2-CG2 3.94Å; W326-T330 HydrophobicContact CE3-CG2 3.7Å; W326-T330 HydrophobicContact CG-CG2 3.97Å; W326-T330 PolarHBondContact N-OG1 3.28Å; T330-D332 VanDerWaalsContact C-N 3.3Å; T330-D332 VanDerWaalsContact C-OD1 3.29Å; T330-D332 WeakPolarHBondContact CB-OD1 3.48Å; T330-D332 PolarHBondContact O-N 3.32Å; T330-D332 PolarHBondContact OG1-OD1 2.79Å
331	L	95	Very high	90.8	Very high	126 Å²	126	57.6 Å²	57.6	66%	0.66	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.2	-169.7	-161.8	63.8	0	0	0	114.4	D333 S334	L331-D333 WeakPolarHBondContact CA-OD1 3.44Å; L331-D333 PolarHBondContact O-N 2.95Å; L331-D333 VanDerWaalsContact O-N 3.16Å; L331-S334 WeakPolarHBondContact O-CB 3.33Å; L331-S334 PolarHBondContact O-N 2.83Å; L331-S334 VanDerWaalsContact O-N 3.08Å
332	D	93.1	Very high	88.9	Confident	83 Å²	83	57.6 Å²	57.6	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-16.5	176.1	62	-58.1	0	0	0	113.2	Q325 T330	Q325-D332 PolarHBondContact NE2-OD1 3.44Å; T330-D332 VanDerWaalsContact C-N 3.3Å; T330-D332 VanDerWaalsContact C-OD1 3.29Å; T330-D332 WeakPolarHBondContact CB-OD1 3.48Å; T330-D332 PolarHBondContact O-N 3.32Å; T330-D332 PolarHBondContact OG1-OD1 2.79Å
333	D	93.9	Very high	86.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-70.1	-31.2	172.1	71.1	-36.1	0	0	0	113.7	R245 T321 R329 L331 A335 N336 R337	R245-D333 IonicContact CZ-OD2 3.4Å; R245-D333 IonicContact NE-OD2 2.7Å; R245-D333 PolarHBondContact NE-OD2 3.43Å; R245-D333 IonicContact NH2-OD2 2.66Å; R245-D333 PolarHBondContact NH2-OD2 3.35Å; T321-D333 HydrophobicContact CG2-CB 3.52Å; R329-D333 IonicContact CZ-OD1 3.48Å; R329-D333 IonicContact CZ-OD2 3.61Å; R329-D333 IonicContact NE-OD1 2.9Å; R329-D333 PolarHBondContact NE-OD1 2.85Å; R329-D333 IonicContact NE-OD2 3.13Å; R329-D333 IonicContact NH2-OD1 2.94Å; R329-D333 PolarHBondContact NH2-OD1 3.28Å; R329-D333 IonicContact NH2-OD2 2.67Å; R329-D333 PolarHBondContact NH2-OD2 3.08Å; L331-D333 WeakPolarHBondContact CA-OD1 3.44Å; L331-D333 PolarHBondContact O-N 2.95Å; L331-D333 VanDerWaalsContact O-N 3.16Å; D333-A335 PolarHBondContact O-N 3.38Å; D333-N336 PolarHBondContact O-N 3.28Å; D333-R337 HydrophobicContact CB-CG 4.47Å; D333-R337 VanDerWaalsContact O-CB 3.28Å; D333-R337 WeakPolarHBondContact O-CB 3.5Å; D333-R337 WeakPolarHBondContact O-CG 3.44Å; D333-R337 PolarHBondContact O-N 3.39Å
334	S	90	Very high	84.2	Confident	48 Å²	48	56.6 Å²	56.6	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-52.6	-165.6	-176.9	0	0	0	0	112.7	L331 S338	L331-S334 WeakPolarHBondContact O-CB 3.33Å; L331-S334 PolarHBondContact O-N 2.83Å; L331-S334 VanDerWaalsContact O-N 3.08Å; S334-S338 WeakPolarHBondContact O-CB 3.41Å; S334-S338 PolarHBondContact O-N 2.95Å; S334-S338 PolarHBondContact O-OG 3.36Å
335	A	84.9	Confident	81.3	Confident	52 Å²	52	55.8 Å²	55.8	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-68.5	-42.9	-179.2	0	0	0	0	0	111.7	D333 S338 V339	D333-A335 PolarHBondContact O-N 3.38Å; A335-S338 WeakPolarHBondContact O-CB 3.3Å; A335-S338 PolarHBondContact O-N 3.01Å; A335-V339 PolarHBondContact O-N 3.33Å; A335-V339 VanDerWaalsContact O-N 3.09Å
336	N	89.4	Confident	78.2	Confident	45 Å²	45	58.2 Å²	58.2	24%	0.241	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-49.2	-179.3	-177.1	-78.9	0	0	0	111.4	D317 T321 D333 S338 V339 A340	D317-N336 WeakPolarHBondContact CB-OD1 3.42Å; D317-N336 PolarHBondContact OD1-ND2 3.14Å; T321-N336 PolarHBondContact OG1-OD1 3.18Å; D333-N336 PolarHBondContact O-N 3.28Å; N336-S338 PolarHBondContact O-N 3.33Å; N336-V339 CarbonylContact O-C 3.48Å; N336-V339 WeakPolarHBondContact O-CA 3.11Å; N336-V339 PolarHBondContact O-N 2.68Å; N336-A340 WeakPolarHBondContact O-CB 3.16Å; N336-A340 PolarHBondContact O-N 3.3Å
337	R	89.2	Confident	74.9	Confident	11 Å²	11	58.2 Å²	58.2	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-39.9	174.8	-70	169.9	68.3	-108.6	-3.8	111.2	D120 Y243 D248 D333 V339 A340 Q341	D120-R337 IonicContact OD2-CZ 2.76Å; D120-R337 IonicContact OD2-NH1 3.95Å; D120-R337 PolarHBondContact OD2-NH1 3.28Å; D120-R337 IonicContact OD2-NH2 2.79Å; D120-R337 PolarHBondContact OD2-NH2 3.32Å; Y243-R337 PolarHBondContact OH-NH2 3.45Å; D248-R337 IonicContact OD2-NE 2.8Å; D248-R337 PolarHBondContact OD2-NE 3.46Å; D333-R337 HydrophobicContact CB-CG 4.47Å; D333-R337 VanDerWaalsContact O-CB 3.28Å; D333-R337 WeakPolarHBondContact O-CB 3.5Å; D333-R337 WeakPolarHBondContact O-CG 3.44Å; D333-R337 PolarHBondContact O-N 3.39Å; R337-V339 PolarHBondContact O-N 2.87Å; R337-A340 PolarHBondContact O-N 3.05Å; R337-Q341 VanDerWaalsContact O-CB 3.23Å; R337-Q341 WeakPolarHBondContact O-CB 3.48Å; R337-Q341 WeakPolarHBondContact O-CG 3.48Å; R337-Q341 PolarHBondContact O-N 3.19Å
338	S	77.6	Confident	71.5	Confident	23 Å²	23	52 Å²	52	16%	0.161	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-36.7	176.3	-61.9	0	0	0	0	111.4	S334 A335 N336 H343 I345 Y360	S334-S338 WeakPolarHBondContact O-CB 3.41Å; S334-S338 PolarHBondContact O-N 2.95Å; S334-S338 PolarHBondContact O-OG 3.36Å; A335-S338 WeakPolarHBondContact O-CB 3.3Å; A335-S338 PolarHBondContact O-N 3.01Å; N336-S338 PolarHBondContact O-N 3.33Å; S338-H343 CarbonylContact O-C 3.56Å; S338-H343 PolarHBondContact O-N 3.1Å; S338-I345 VanDerWaalsContact CB-CG1 3.41Å; S338-Y360 VanDerWaalsContact C-OH 3.31Å; S338-Y360 WeakPolarHBondContact O-CE1 2.88Å; S338-Y360 PolarHBondContact O-OH 3Å
339	V	75.1	Confident	68.1	Low	40 Å²	40	54.5 Å²	54.5	24%	0.242	29%	0.294	C	S	.	.	H	α-helix	trans	-80.1	-45.1	175.7	179.9	0	0	0	0	113.9	A335 N336 R337 I345 R358 R359 Y360	A335-V339 PolarHBondContact O-N 3.33Å; A335-V339 VanDerWaalsContact O-N 3.09Å; N336-V339 CarbonylContact O-C 3.48Å; N336-V339 WeakPolarHBondContact O-CA 3.11Å; N336-V339 PolarHBondContact O-N 2.68Å; R337-V339 PolarHBondContact O-N 2.87Å; V339-I345 HydrophobicContact CG2-CD1 3.47Å; V339-I345 VanDerWaalsContact CG2-CD1 3.47Å; V339-R358 WeakPolarHBondContact CG1-O 3.31Å; V339-R359 HydrophobicContact CG2-CG 4.4Å; V339-Y360 VanDerWaalsContact C-CE1 3.43Å; V339-Y360 WeakPolarHBondContact CA-OH 3.36Å; V339-Y360 WeakPolarHBondContact O-CD1 3.32Å; V339-Y360 WeakPolarHBondContact O-CE1 3.4Å
340	A	70.1	Confident	64.7	Low	2 Å²	2	59.2 Å²	59.2	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-75.5	-28	-172.8	0	0	0	0	0	112.7	L252 D317 N336 R337	L252-A340 HydrophobicContact CD2-CB 4.22Å; D317-A340 HydrophobicContact CB-CB 3.89Å; N336-A340 WeakPolarHBondContact O-CB 3.16Å; N336-A340 PolarHBondContact O-N 3.3Å; R337-A340 PolarHBondContact O-N 3.05Å
341	Q	69.1	Low	61.3	Low	6 Å²	6	66.6 Å²	66.6	3%	0.028	35%	0.351	C	S	.	.	H	α-helix	trans	-99.3	-20.2	-173.5	-59.9	-174.5	-13.2	0	0	114.9	F30 D248 L252 R337	F30-Q341 WeakPolarHBondContact CE1-O 3.32Å; F30-Q341 WeakPolarHBondContact CZ-O 3.42Å; D248-Q341 PolarHBondContact OD1-NE2 3.46Å; D248-Q341 PolarHBondContact OD2-NE2 3.43Å; L252-Q341 HydrophobicContact CD1-CG 4.48Å; R337-Q341 VanDerWaalsContact O-CB 3.23Å; R337-Q341 WeakPolarHBondContact O-CB 3.48Å; R337-Q341 WeakPolarHBondContact O-CG 3.48Å; R337-Q341 PolarHBondContact O-N 3.19Å
342	G	57.3	Low	57.9	Low	8 Å²	8	63.9 Å²	63.9	8%	0.082	35%	0.353	C	S	.	.			trans	129.7	-15	-179.6	0	0	0	0	0	116.9	Y360	G342-Y360 VanDerWaalsContact CA-CE1 3.45Å; G342-Y360 WeakPolarHBondContact O-CD2 3.23Å
343	H	50.8	Low	54.8	Low	9 Å²	9	71.9 Å²	71.9	4%	0.042	38%	0.377	C	S	.	.			trans	-78.6	126.5	-166.4	-62.9	105.6	0	0	0	114.5	D120 I123 S338 I345 Y360	D120-H343 IonicContact OD1-CE1 3.01Å; D120-H343 PolarHBondContact OD1-CE1 2.94Å; D120-H343 IonicContact OD1-NE2 3.21Å; D120-H343 PolarHBondContact OD1-NE2 3.46Å; I123-H343 WeakPolarHBondContact CD1-NE2 3.02Å; S338-H343 CarbonylContact O-C 3.56Å; S338-H343 PolarHBondContact O-N 3.1Å; H343-I345 PolarHBondContact O-N 3.24Å; H343-Y360 VanDerWaalsContact C-CZ 3.45Å; H343-Y360 WeakPolarHBondContact O-CE2 3.05Å; H343-Y360 PolarHBondContact O-OH 3.39Å
344	H	46.2	Very low	51.5	Low	88 Å²	88	74.7 Å²	74.7	41%	0.407	41%	0.407	S	S	.	.			trans	-52.2	118.1	170.9	-93	-92	0	0	0	112.9	H346	H344-H346 PolarHBondContact O-N 2.93Å
345	I	37.7	Very low	48.4	Very low	49 Å²	49	79.3 Å²	79.3	25%	0.251	43%	0.426	S	S	.	.			trans	-79.7	111.8	165.1	-64.4	163.2	0	0	0	107.7	S338 V339 H343 Q347 R359	S338-I345 VanDerWaalsContact CB-CG1 3.41Å; V339-I345 HydrophobicContact CG2-CD1 3.47Å; V339-I345 VanDerWaalsContact CG2-CD1 3.47Å; H343-I345 PolarHBondContact O-N 3.24Å; I345-Q347 PolarHBondContact O-N 3.29Å; I345-R359 VanDerWaalsContact CB-CZ 3.42Å; I345-R359 VanDerWaalsContact O-CZ 3.24Å; I345-R359 PolarHBondContact O-NH1 3.04Å; I345-R359 PolarHBondContact O-NH2 3.45Å
346	H	33.8	Very low	45.5	Very low	91 Å²	91	82 Å²	82	42%	0.421	44%	0.442	S	S	.	.			trans	-64.6	126.1	159.7	-72.5	-43.4	0	0	0	108.4	D32 H344 T348	D32-H346 VanDerWaalsContact CG-NE2 3.32Å; D32-H346 IonicContact OD1-NE2 3.97Å; D32-H346 IonicContact OD2-CE1 2.91Å; D32-H346 PolarHBondContact OD2-CE1 3.49Å; D32-H346 IonicContact OD2-ND1 2.72Å; D32-H346 IonicContact OD2-NE2 3.04Å; D32-H346 PolarHBondContact OD2-NE2 2.91Å; H344-H346 PolarHBondContact O-N 2.93Å; H346-T348 PolarHBondContact O-N 3.21Å; H346-T348 VanDerWaalsContact O-N 3.16Å
347	Q	27.7	Very low	42.5	Very low	179 Å²	179	88.1 Å²	88.1	84%	0.836	46%	0.463	S	S	*	.			trans	-67.9	111.1	179.6	-79.7	179.8	-23.9	0	0	109.5	I345	I345-Q347 PolarHBondContact O-N 3.29Å
348	T	27.2	Very low	39.8	Very low	62 Å²	62	96 Å²	96	38%	0.38	49%	0.493	S	S	.	.			trans	-121.6	117	149.7	41.6	0	0	0	0	108	H346 L350	H346-T348 PolarHBondContact O-N 3.21Å; H346-T348 VanDerWaalsContact O-N 3.16Å; T348-L350 PolarHBondContact O-N 2.84Å
349	D	26.7	Very low	37.7	Very low	156 Å²	156	97.4 Å²	97.4	83%	0.834	49%	0.494	S	S	*	.			trans	-12.4	74.7	168	-82.4	-36.7	0	0	0	116.9
350	L	26.9	Very low	35.8	Very low	139 Å²	139	96.4 Å²	96.4	73%	0.728	49%	0.486	S	S	*	.	S	Bend	trans	-93	-9.7	173.3	-97.1	158.4	0	0	0	113.5	T348	T348-L350 PolarHBondContact O-N 2.84Å
351	F	24.9	Very low	34.4	Very low	182 Å²	182	98.5 Å²	98.5	80%	0.798	49%	0.494	S	S	*	.	S	Bend	trans	-146.9	109.8	165.6	-77.8	-80.2	0	0	0	110.3	R353	F351-R353 PolarHBondContact O-N 3.32Å
352	G	24	Very low	32.7	Very low	68 Å²	68	99.9 Å²	99.9	70%	0.701	50%	0.501	S	S	*	.	S	Bend	trans	-57.3	126.3	166.3	0	0	0	0	0	109.9
353	R	27.8	Very low	31.7	Very low	251 Å²	251	99.7 Å²	99.7	95%	0.947	50%	0.498	S	S	*	.	S	Bend	trans	63.4	102.7	172	-57.9	-178.2	-176.4	-171	1	115.5	F351	F351-R353 PolarHBondContact O-N 3.32Å
354	G	25.1	Very low	31	Very low	60 Å²	60	99.8 Å²	99.8	62%	0.619	50%	0.498	S	S	*	.			trans	97.8	138.7	155.6	0	0	0	0	0	113.3
355	I	24.6	Very low	30.3	Very low	145 Å²	145	96.5 Å²	96.5	74%	0.744	49%	0.487	S	S	*	.			trans	95.6	82.6	173.5	-50.7	172	0	0	0	114.2	Y357	I355-Y357 HydrophobicContact CG2-CD2 3.01Å; I355-Y357 HydrophobicContact CG2-CE2 3.14Å; I355-Y357 HydrophobicContact CG2-CG 4.08Å
356	S	24.1	Very low	29.9	Very low	109 Å²	109	94.9 Å²	94.9	76%	0.762	48%	0.48	S	S	*	.			trans	-84.5	109.3	163.9	174.2	0	0	0	0	109
357	Y	27.6	Very low	29.7	Very low	173 Å²	173	94 Å²	94	68%	0.678	48%	0.477	S	S	*	.			trans	-128.3	119	173.1	-79.4	-55	0	0	0	113.8	I355	I355-Y357 HydrophobicContact CG2-CD2 3.01Å; I355-Y357 HydrophobicContact CG2-CE2 3.14Å; I355-Y357 HydrophobicContact CG2-CG 4.08Å
358	R	31	Very low	30	Very low	177 Å²	177	89.2 Å²	89.2	67%	0.668	45%	0.454	S	S	*	.			trans	35.6	133.2	136.8	-59.8	179.9	-169.2	-131.5	2.1	120.3	V339	V339-R358 WeakPolarHBondContact CG1-O 3.31Å
359	R	33.5	Very low	30.1	Very low	52 Å²	52	90.3 Å²	90.3	20%	0.196	45%	0.453	C	S	.	.			trans	-149.1	145.1	-177.7	-70.9	-175.1	-164.3	176.4	4.1	114	S15 V339 I345	S15-R359 WeakPolarHBondContact CB-O 3.3Å; S15-R359 PolarHBondContact OG-O 2.94Å; V339-R359 HydrophobicContact CG2-CG 4.4Å; I345-R359 VanDerWaalsContact CB-CZ 3.42Å; I345-R359 VanDerWaalsContact O-CZ 3.24Å; I345-R359 PolarHBondContact O-NH1 3.04Å; I345-R359 PolarHBondContact O-NH2 3.45Å
360	Y	36.6	Very low	30.3	Very low	18 Å²	18	87 Å²	87	7%	0.071	43%	0.434	C	S	.	.			trans	133.5	-154.6	162.8	-16.1	-64.1	0	0	0	112.9	S338 V339 G342 H343	S338-Y360 VanDerWaalsContact C-OH 3.31Å; S338-Y360 WeakPolarHBondContact O-CE1 2.88Å; S338-Y360 PolarHBondContact O-OH 3Å; V339-Y360 VanDerWaalsContact C-CE1 3.43Å; V339-Y360 WeakPolarHBondContact CA-OH 3.36Å; V339-Y360 WeakPolarHBondContact O-CD1 3.32Å; V339-Y360 WeakPolarHBondContact O-CE1 3.4Å; G342-Y360 VanDerWaalsContact CA-CE1 3.45Å; G342-Y360 WeakPolarHBondContact O-CD2 3.23Å; H343-Y360 VanDerWaalsContact C-CZ 3.45Å; H343-Y360 WeakPolarHBondContact O-CE2 3.05Å; H343-Y360 PolarHBondContact O-OH 3.39Å
361	Y	39.3	Very low	30.4	Very low	47 Å²	47	84.3 Å²	84.3	18%	0.184	42%	0.419	C	S	.	.			trans	97.7	112.1	165.2	-49.1	-77.6	0	0	0	117.6	L17 L307 H310 L314	L17-Y361 HydrophobicContact CD1-CD1 4.49Å; L17-Y361 HydrophobicContact CD2-CD1 3.56Å; L17-Y361 HydrophobicContact CD2-CE1 3.81Å; L17-Y361 HydrophobicContact CD2-CG 4.36Å; L17-Y361 HydrophobicContact CG-CD1 3.94Å; L17-Y361 HydrophobicContact CG-CE1 4.41Å; L17-Y361 HydrophobicContact CG-CG 4.26Å; L307-Y361 HydrophobicContact CD2-CD1 4.35Å; L307-Y361 HydrophobicContact CD2-CE1 4.3Å; H310-Y361 HydrophobicContact CB-CD1 4.24Å; H310-Y361 HydrophobicContact CB-CE1 4.28Å; H310-Y361 AromaticContact CD2-CD1 3.42Å; H310-Y361 VanDerWaalsContact CD2-CD1 3.42Å; H310-Y361 WeakPolarHBondContact CD2-CD1 2.99Å; H310-Y361 AromaticContact CD2-CD2 2.96Å; H310-Y361 WeakPolarHBondContact CD2-CD2 3.3Å; H310-Y361 AromaticContact CD2-CE1 3.73Å; H310-Y361 AromaticContact CD2-CE2 3.31Å; H310-Y361 WeakPolarHBondContact CD2-CE2 3.48Å; H310-Y361 AromaticContact CD2-CG 3.03Å; H310-Y361 AromaticContact CD2-CZ 3.66Å; H310-Y361 AromaticContact CE1-CD2 3.82Å; H310-Y361 AromaticContact CE1-CE2 3.47Å; H310-Y361 VanDerWaalsContact CE1-CE2 3.47Å; H310-Y361 WeakPolarHBondContact CE1-CE2 3.33Å; H310-Y361 AromaticContact CE1-CZ 3.93Å; H310-Y361 AromaticContact CG-CD1 3.86Å; H310-Y361 AromaticContact CG-CD2 3.93Å; H310-Y361 AromaticContact CG-CE1 3.81Å; H310-Y361 AromaticContact CG-CE2 3.87Å; H310-Y361 AromaticContact CG-CG 3.92Å; H310-Y361 AromaticContact CG-CZ 3.8Å; H310-Y361 AromaticContact ND1-CE2 3.97Å; H310-Y361 AromaticContact ND1-CZ 3.98Å; H310-Y361 AromaticContact NE2-CD2 2.87Å; H310-Y361 WeakPolarHBondContact NE2-CD2 3.4Å; H310-Y361 AromaticContact NE2-CE2 3Å; H310-Y361 WeakPolarHBondContact NE2-CE2 3.39Å; H310-Y361 AromaticContact NE2-CG 3.53Å; H310-Y361 AromaticContact NE2-CZ 3.73Å; L314-Y361 HydrophobicContact CD1-CD2 4.36Å; L314-Y361 HydrophobicContact CD1-CG 4.44Å
362	I	33.8	Very low	30.8	Very low	35 Å²	35	78.8 Å²	78.8	18%	0.179	40%	0.398	C	S	.	.	S	Bend	trans	-172.8	-19.4	145.5	-95.7	149.7	0	0	0	116	L131 L255 L311	L131-I362 HydrophobicContact CD1-CG2 3.83Å; L131-I362 HydrophobicContact CD2-CG2 4.32Å; L255-I362 HydrophobicContact CD1-CD1 3.58Å; L255-I362 HydrophobicContact CD1-CG1 3.94Å; L311-I362 HydrophobicContact CD1-CG1 3.51Å
363	E	36	Very low	31.2	Very low	3 Å²	3	79.5 Å²	79.5	1%	0.014	38%	0.38	C	S	.	.			trans	-105.1	-30.4	-156.4	-160.7	173.2	-148	0	0	120.1	S23 M26 L131 K134 A365 A366	S23-E363 VanDerWaalsContact CB-OE2 3.27Å; S23-E363 WeakPolarHBondContact CB-OE2 3.46Å; S23-E363 PolarHBondContact N-OE2 2.87Å; S23-E363 PolarHBondContact OG-OE1 3.02Å; S23-E363 PolarHBondContact OG-OE2 3.22Å; M26-E363 VanDerWaalsContact CB-OE1 3.32Å; M26-E363 WeakPolarHBondContact CB-OE1 3.47Å; M26-E363 WeakPolarHBondContact CB-OE2 3.27Å; M26-E363 HydrophobicContact CE-CG 4.22Å; M26-E363 VanDerWaalsContact CE-OE1 3.26Å; M26-E363 WeakPolarHBondContact CE-OE1 3.45Å; M26-E363 HydrophobicContact CG-CB 4.42Å; L131-E363 HydrophobicContact CD2-CG 4.14Å; K134-E363 IonicContact NZ-OE1 2.76Å; K134-E363 PolarHBondContact NZ-OE1 2.66Å; E363-A365 PolarHBondContact O-N 3.19Å; E363-A366 PolarHBondContact O-N 3.23Å
364	Y	35.9	Very low	31.4	Very low	12 Å²	12	68.8 Å²	68.8	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-56.6	-30.5	-163.2	-172.7	-89	0	0	0	115.3	Y21 R303 L307 A366 E367 H368	Y21-Y364 AromaticContact CD1-CD2 3.89Å; Y21-Y364 HydrophobicContact CD1-CD2 3.89Å; Y21-Y364 HydrophobicContact CD1-CE2 4.02Å; Y21-Y364 HydrophobicContact CG-CD2 4.31Å; Y21-Y364 WeakPolarHBondContact O-CD2 3.5Å; R303-Y364 HydrophobicContact CB-CE1 4.47Å; R303-Y364 VanDerWaalsContact CD-CE1 3.4Å; R303-Y364 WeakPolarHBondContact CD-OH 3.35Å; R303-Y364 HydrophobicContact CG-CD1 4.33Å; R303-Y364 HydrophobicContact CG-CE1 3.97Å; R303-Y364 PolarHBondContact NH1-OH 3.13Å; L307-Y364 HydrophobicContact CD1-CD1 3.69Å; L307-Y364 HydrophobicContact CD1-CD2 4.46Å; L307-Y364 HydrophobicContact CD1-CG 3.59Å; Y364-A366 PolarHBondContact O-N 3.13Å; Y364-E367 PolarHBondContact O-N 3.21Å; Y364-H368 HydrophobicContact CD1-CB 4.43Å; Y364-H368 AromaticContact CD2-CE1 3.67Å; Y364-H368 AromaticContact CD2-ND1 3.61Å; Y364-H368 HydrophobicContact CE1-CB 3.79Å; Y364-H368 AromaticContact CE1-CG 3.76Å; Y364-H368 AromaticContact CE1-ND1 3.96Å; Y364-H368 AromaticContact CE2-CD2 3.78Å; Y364-H368 AromaticContact CE2-CE1 3.3Å; Y364-H368 WeakPolarHBondContact CE2-CE1 3.28Å; Y364-H368 AromaticContact CE2-CG 3.71Å; Y364-H368 AromaticContact CE2-ND1 3.39Å; Y364-H368 WeakPolarHBondContact CE2-ND1 3.41Å; Y364-H368 AromaticContact CE2-NE2 3.5Å; Y364-H368 AromaticContact CZ-CD2 3.53Å; Y364-H368 AromaticContact CZ-CE1 3.82Å; Y364-H368 AromaticContact CZ-CG 3.37Å; Y364-H368 AromaticContact CZ-ND1 3.55Å; Y364-H368 AromaticContact CZ-NE2 3.78Å; Y364-H368 PolarHBondContact O-ND1 3.37Å; Y364-H368 PolarHBondContact OH-CD2 3.49Å; Y364-H368 VanDerWaalsContact OH-CD2 3.24Å
365	A	31.4	Very low	31.8	Very low	19 Å²	19	69.3 Å²	69.3	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-21.7	-178.6	0	0	0	0	0	113.8	V262 E363 F369	V262-A365 HydrophobicContact CG1-CB 3.97Å; V262-A365 HydrophobicContact CG2-CB 4.09Å; E363-A365 PolarHBondContact O-N 3.19Å; A365-F369 VanDerWaalsContact O-CD2 3.23Å; A365-F369 WeakPolarHBondContact O-CD2 3.46Å
366	A	29.3	Very low	32.3	Very low	15 Å²	15	63.9 Å²	63.9	12%	0.124	30%	0.297	C	S	.	.	H	α-helix	trans	-91.7	-17.5	-177.7	0	0	0	0	0	113.7	K134 E363 Y364	K134-A366 HydrophobicContact CB-CB 3.63Å; K134-A366 HydrophobicContact CD-CB 4.41Å; E363-A366 PolarHBondContact O-N 3.23Å; Y364-A366 PolarHBondContact O-N 3.13Å
367	E	29.4	Very low	32.9	Very low	73 Å²	73	60.5 Å²	60.5	34%	0.341	26%	0.261	S	S	.	.	H	α-helix	trans	-99	-20	-175.6	-70.1	-165.5	145.6	0	0	114.9	S23 K134 Y364	S23-E367 WeakPolarHBondContact CB-OE1 3.04Å; K134-E367 HydrophobicContact CD-CG 3.78Å; K134-E367 WeakPolarHBondContact CE-OE1 3.47Å; K134-E367 IonicContact NZ-OE1 3.7Å; K134-E367 PolarHBondContact NZ-OE1 2.88Å; Y364-E367 PolarHBondContact O-N 3.21Å
368	H	34.1	Very low	33.4	Very low	77 Å²	77	51.1 Å²	51.1	36%	0.356	23%	0.226	S	C	.	.			trans	-114.1	16.1	-168.7	-66.5	77.8	0	0	0	113.7	Y364	Y364-H368 HydrophobicContact CD1-CB 4.43Å; Y364-H368 AromaticContact CD2-CE1 3.67Å; Y364-H368 AromaticContact CD2-ND1 3.61Å; Y364-H368 HydrophobicContact CE1-CB 3.79Å; Y364-H368 AromaticContact CE1-CG 3.76Å; Y364-H368 AromaticContact CE1-ND1 3.96Å; Y364-H368 AromaticContact CE2-CD2 3.78Å; Y364-H368 AromaticContact CE2-CE1 3.3Å; Y364-H368 WeakPolarHBondContact CE2-CE1 3.28Å; Y364-H368 AromaticContact CE2-CG 3.71Å; Y364-H368 AromaticContact CE2-ND1 3.39Å; Y364-H368 WeakPolarHBondContact CE2-ND1 3.41Å; Y364-H368 AromaticContact CE2-NE2 3.5Å; Y364-H368 AromaticContact CZ-CD2 3.53Å; Y364-H368 AromaticContact CZ-CE1 3.82Å; Y364-H368 AromaticContact CZ-CG 3.37Å; Y364-H368 AromaticContact CZ-ND1 3.55Å; Y364-H368 AromaticContact CZ-NE2 3.78Å; Y364-H368 PolarHBondContact O-ND1 3.37Å; Y364-H368 PolarHBondContact OH-CD2 3.49Å; Y364-H368 VanDerWaalsContact OH-CD2 3.24Å
369	F	30.1	Very low	33.6	Very low	85 Å²	85	39.6 Å²	39.6	37%	0.373	19%	0.186	S	C	.	.			trans	-106.9	0	166.1	-84.5	-90.9	0	0	0	111.5	V138 V262 I265 C266 I269 C304 A365	V138-F369 HydrophobicContact CB-CB 4.39Å; V138-F369 HydrophobicContact CG1-CB 3.73Å; V138-F369 HydrophobicContact CG1-CG 4.42Å; V138-F369 HydrophobicContact CG2-CB 3.78Å; V262-F369 HydrophobicContact CG1-CE2 3.8Å; V262-F369 HydrophobicContact CG1-CZ 4.1Å; I265-F369 HydrophobicContact CG2-CE1 4.01Å; I265-F369 HydrophobicContact CG2-CZ 4.44Å; C266-F369 WeakPolarHBondContact SG-CZ 3.47Å; I269-F369 HydrophobicContact CD1-CE1 4.18Å; C304-F369 HydrophobicContact CB-CE2 4.01Å; C304-F369 HydrophobicContact CB-CZ 4.47Å; A365-F369 VanDerWaalsContact O-CD2 3.23Å; A365-F369 WeakPolarHBondContact O-CD2 3.46Å

Retrieved 369 of 369 residues in 125.7 ms (Link to these results)

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