A0A077Z309_TRITR Loading...

DNA pol A exo1 and HRDC domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z309, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 567 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	35.2	Very low	44	Very low	182 Å²	182	110.8 Å²	110.8	90%	0.897	53%	0.534	S	S	*	.				0	-62.7	0	-72.4	-175.6	72.2	0	0	113.2	I3 Q4 C5	M1-I3 PolarHBondContact O-N 3.36Å; M1-Q4 WeakPolarHBondContact O-CB 3.45Å; M1-Q4 PolarHBondContact O-N 3.39Å; M1-Q4 VanDerWaalsContact O-N 3.08Å; M1-C5 PolarHBondContact O-N 2.99Å
2	F	35.2	Very low	45	Very low	133 Å²	133	107.4 Å²	107.4	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-54.5	-47.8	-179.7	-173.1	-101.9	0	0	0	113.7	Q4 C5 C6 Y491	F2-Q4 VanDerWaalsContact C-N 3.34Å; F2-Q4 PolarHBondContact O-N 2.97Å; F2-C5 PolarHBondContact O-N 3.49Å; F2-C6 PolarHBondContact O-N 3.17Å; F2-C6 PolarHBondContact O-SG 3.49Å; F2-C6 VanDerWaalsContact O-SG 3.35Å; F2-Y491 HydrophobicContact CE2-CE1 4.37Å; F2-Y491 WeakPolarHBondContact CE2-OH 3.48Å
3	I	41.6	Very low	45.7	Very low	134 Å²	134	109.8 Å²	109.8	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-63	-37.7	177.1	-63.6	172.2	0	0	0	112	M1 C6 Y7	M1-I3 PolarHBondContact O-N 3.36Å; I3-C6 PolarHBondContact O-N 3.2Å; I3-Y7 VanDerWaalsContact O-CB 3.29Å; I3-Y7 WeakPolarHBondContact O-CB 3.37Å; I3-Y7 PolarHBondContact O-N 3.48Å
4	Q	40.1	Very low	46.4	Very low	135 Å²	135	104.3 Å²	104.3	63%	0.631	50%	0.501	S	S	*	.	H	α-helix	trans	-69.2	-37.2	176.6	-86.5	169.6	-44.4	0	0	112.1	M1 F2 Y7 M8	M1-Q4 WeakPolarHBondContact O-CB 3.45Å; M1-Q4 PolarHBondContact O-N 3.39Å; M1-Q4 VanDerWaalsContact O-N 3.08Å; F2-Q4 VanDerWaalsContact C-N 3.34Å; F2-Q4 PolarHBondContact O-N 2.97Å; Q4-Y7 PolarHBondContact O-N 3.42Å; Q4-M8 WeakPolarHBondContact O-CB 3.28Å; Q4-M8 WeakPolarHBondContact O-CG 3.38Å; Q4-M8 PolarHBondContact O-N 3.42Å
5	C	42	Very low	47.2	Very low	60 Å²	60	104.6 Å²	104.6	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-65.7	-47.6	172.9	-71.1	0	0	0	0	110.8	M1 F2 Y7 M8 F9	M1-C5 PolarHBondContact O-N 2.99Å; F2-C5 PolarHBondContact O-N 3.49Å; C5-Y7 VanDerWaalsContact C-N 3.27Å; C5-Y7 PolarHBondContact O-N 3.31Å; C5-M8 PolarHBondContact O-N 3.4Å; C5-F9 WeakPolarHBondContact O-CB 3.15Å; C5-F9 VanDerWaalsContact O-CD2 3.3Å; C5-F9 WeakPolarHBondContact O-CD2 3.45Å; C5-F9 PolarHBondContact O-N 3.14Å
6	C	42.4	Very low	47.7	Very low	63 Å²	63	101.1 Å²	101.1	43%	0.426	49%	0.486	S	S	.	.	H	α-helix	trans	-59	-38.7	175.9	-66.2	0	0	0	0	112.3	F2 I3 Y10	F2-C6 PolarHBondContact O-N 3.17Å; F2-C6 PolarHBondContact O-SG 3.49Å; F2-C6 VanDerWaalsContact O-SG 3.35Å; I3-C6 PolarHBondContact O-N 3.2Å; C6-Y10 WeakPolarHBondContact O-CB 3.4Å; C6-Y10 PolarHBondContact O-N 3Å
7	Y	47.6	Very low	47.9	Very low	149 Å²	149	103.5 Å²	103.5	58%	0.584	49%	0.49	S	S	*	.	H	α-helix	trans	-68.7	-44.3	177.5	-162.2	-102.4	0	0	0	112.2	I3 Q4 C5 F9 Y10 L11	I3-Y7 VanDerWaalsContact O-CB 3.29Å; I3-Y7 WeakPolarHBondContact O-CB 3.37Å; I3-Y7 PolarHBondContact O-N 3.48Å; Q4-Y7 PolarHBondContact O-N 3.42Å; C5-Y7 VanDerWaalsContact C-N 3.27Å; C5-Y7 PolarHBondContact O-N 3.31Å; Y7-F9 PolarHBondContact O-N 2.99Å; Y7-Y10 PolarHBondContact O-N 2.93Å; Y7-L11 HydrophobicContact CD1-CD1 3.67Å; Y7-L11 HydrophobicContact CD1-CG 4.26Å; Y7-L11 HydrophobicContact CE1-CD1 3.66Å; Y7-L11 HydrophobicContact CE1-CG 4.21Å; Y7-L11 WeakPolarHBondContact O-CB 3.47Å; Y7-L11 VanDerWaalsContact O-CG 3.28Å; Y7-L11 WeakPolarHBondContact O-CG 3.48Å; Y7-L11 PolarHBondContact O-N 2.98Å
8	M	47.7	Very low	48.2	Very low	104 Å²	104	106 Å²	106	51%	0.512	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-41.7	173.9	-82.6	-74.4	-74.3	0	0	112.3	Q4 C5 L11 I12	Q4-M8 WeakPolarHBondContact O-CB 3.28Å; Q4-M8 WeakPolarHBondContact O-CG 3.38Å; Q4-M8 PolarHBondContact O-N 3.42Å; C5-M8 PolarHBondContact O-N 3.4Å; M8-L11 PolarHBondContact O-N 2.65Å; M8-I12 VanDerWaalsContact O-CG1 3.29Å; M8-I12 WeakPolarHBondContact O-CG1 3.28Å; M8-I12 PolarHBondContact O-N 3.23Å
9	F	49.4	Very low	48.3	Very low	78 Å²	78	106.9 Å²	106.9	34%	0.342	50%	0.495	S	S	.	.	H	α-helix	trans	-67.5	-38.3	176.5	-91	-81.1	0	0	0	112.4	C5 Y7 I12 Y13 V487 L488 T543	C5-F9 WeakPolarHBondContact O-CB 3.15Å; C5-F9 VanDerWaalsContact O-CD2 3.3Å; C5-F9 WeakPolarHBondContact O-CD2 3.45Å; C5-F9 PolarHBondContact O-N 3.14Å; Y7-F9 PolarHBondContact O-N 2.99Å; F9-I12 PolarHBondContact O-N 3.24Å; F9-Y13 WeakPolarHBondContact O-CB 3.46Å; F9-Y13 PolarHBondContact O-N 2.91Å; F9-V487 HydrophobicContact CZ-CG1 4.38Å; F9-L488 HydrophobicContact CD1-CD2 4.4Å; F9-T543 HydrophobicContact CE2-CG2 4.44Å; F9-T543 HydrophobicContact CZ-CG2 4.39Å
10	Y	50.6	Low	48.3	Very low	104 Å²	104	105.9 Å²	105.9	41%	0.408	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-38.6	172.9	-178.6	-98.9	0	0	0	112	C6 Y7 Y13 S14 Y513	C6-Y10 WeakPolarHBondContact O-CB 3.4Å; C6-Y10 PolarHBondContact O-N 3Å; Y7-Y10 PolarHBondContact O-N 2.93Å; Y10-Y13 PolarHBondContact O-N 2.83Å; Y10-S14 WeakPolarHBondContact CE1-OG 3.41Å; Y10-S14 WeakPolarHBondContact O-CB 3.35Å; Y10-S14 PolarHBondContact O-N 2.86Å; Y10-S14 PolarHBondContact O-OG 2.66Å; Y10-Y513 PolarHBondContact OH-OH 3.48Å
11	L	52.8	Low	48.3	Very low	77 Å²	77	107 Å²	107	40%	0.403	49%	0.488	S	S	.	.	H	α-helix	trans	-65.1	-42	174.6	-74.8	170.7	0	0	0	111.8	Y7 M8 S14 F15	Y7-L11 HydrophobicContact CD1-CD1 3.67Å; Y7-L11 HydrophobicContact CD1-CG 4.26Å; Y7-L11 HydrophobicContact CE1-CD1 3.66Å; Y7-L11 HydrophobicContact CE1-CG 4.21Å; Y7-L11 WeakPolarHBondContact O-CB 3.47Å; Y7-L11 VanDerWaalsContact O-CG 3.28Å; Y7-L11 WeakPolarHBondContact O-CG 3.48Å; Y7-L11 PolarHBondContact O-N 2.98Å; M8-L11 PolarHBondContact O-N 2.65Å; L11-S14 PolarHBondContact O-N 3.08Å; L11-F15 WeakPolarHBondContact O-CB 3.49Å; L11-F15 PolarHBondContact O-N 3.28Å
12	I	55.7	Low	48.9	Very low	70 Å²	70	105.1 Å²	105.1	36%	0.359	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-45.8	176.1	-67.8	164.4	0	0	0	110.5	M8 F9 F15 V16	M8-I12 VanDerWaalsContact O-CG1 3.29Å; M8-I12 WeakPolarHBondContact O-CG1 3.28Å; M8-I12 PolarHBondContact O-N 3.23Å; F9-I12 PolarHBondContact O-N 3.24Å; I12-F15 PolarHBondContact O-N 3.49Å; I12-V16 VanDerWaalsContact O-CG2 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 3.04Å
13	Y	53.8	Low	49.2	Very low	138 Å²	138	106.7 Å²	106.7	54%	0.541	48%	0.475	S	S	.	.	H	α-helix	trans	-61.9	-45.4	176.7	-172.5	-93.2	0	0	0	111.5	F9 Y10 F15 V16 Y17	F9-Y13 WeakPolarHBondContact O-CB 3.46Å; F9-Y13 PolarHBondContact O-N 2.91Å; Y10-Y13 PolarHBondContact O-N 2.83Å; Y13-F15 VanDerWaalsContact C-N 3.34Å; Y13-F15 PolarHBondContact O-N 3.36Å; Y13-V16 PolarHBondContact O-N 3.36Å; Y13-Y17 VanDerWaalsContact O-CB 3.29Å; Y13-Y17 WeakPolarHBondContact O-CB 3.3Å; Y13-Y17 PolarHBondContact O-N 3.34Å
14	S	56.2	Low	49.3	Very low	33 Å²	33	103.9 Å²	103.9	23%	0.231	46%	0.457	C	S	.	.	H	α-helix	trans	-64.9	-37	177.1	-61.4	0	0	0	0	111.9	Y10 L11 Y17 Y18	Y10-S14 WeakPolarHBondContact CE1-OG 3.41Å; Y10-S14 WeakPolarHBondContact O-CB 3.35Å; Y10-S14 PolarHBondContact O-N 2.86Å; Y10-S14 PolarHBondContact O-OG 2.66Å; L11-S14 PolarHBondContact O-N 3.08Å; S14-Y17 PolarHBondContact O-N 3.35Å; S14-Y18 WeakPolarHBondContact O-CB 3.45Å; S14-Y18 PolarHBondContact O-N 3.03Å
15	F	57.8	Low	49.3	Very low	109 Å²	109	99.6 Å²	99.6	48%	0.478	44%	0.442	S	S	.	.	H	α-helix	trans	-69.1	-43.6	177.1	-172.4	-95.6	0	0	0	111.6	L11 I12 Y13 Y17 Y18 Y19	L11-F15 WeakPolarHBondContact O-CB 3.49Å; L11-F15 PolarHBondContact O-N 3.28Å; I12-F15 PolarHBondContact O-N 3.49Å; Y13-F15 VanDerWaalsContact C-N 3.34Å; Y13-F15 PolarHBondContact O-N 3.36Å; F15-Y17 VanDerWaalsContact C-N 3.29Å; F15-Y17 PolarHBondContact O-N 3.41Å; F15-Y18 PolarHBondContact O-N 3.4Å; F15-Y19 HydrophobicContact CE1-CD2 4.45Å; F15-Y19 HydrophobicContact CZ-CD2 4.48Å; F15-Y19 VanDerWaalsContact O-CB 3.29Å; F15-Y19 WeakPolarHBondContact O-CB 3.23Å; F15-Y19 PolarHBondContact O-N 3.33Å
16	V	54.6	Low	49.1	Very low	48 Å²	48	101.2 Å²	101.2	29%	0.291	45%	0.452	S	S	.	.	H	α-helix	trans	-62	-40.8	173.5	173.1	0	0	0	0	110.4	I12 Y13 Y20 F477	I12-V16 VanDerWaalsContact O-CG2 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 3.04Å; Y13-V16 PolarHBondContact O-N 3.36Å; V16-Y20 WeakPolarHBondContact O-CB 3.25Å; V16-Y20 PolarHBondContact O-N 2.98Å; V16-F477 HydrophobicContact CG1-CE1 4.34Å
17	Y	52	Low	49	Very low	142 Å²	142	101.9 Å²	101.9	56%	0.557	46%	0.458	S	S	*	.	H	α-helix	trans	-68.8	-37.3	177.2	-157.7	-91	0	0	0	112.7	Y13 S14 F15 Y20 Y21	Y13-Y17 VanDerWaalsContact O-CB 3.29Å; Y13-Y17 WeakPolarHBondContact O-CB 3.3Å; Y13-Y17 PolarHBondContact O-N 3.34Å; S14-Y17 PolarHBondContact O-N 3.35Å; F15-Y17 VanDerWaalsContact C-N 3.29Å; F15-Y17 PolarHBondContact O-N 3.41Å; Y17-Y20 WeakPolarHBondContact O-CB 3.27Å; Y17-Y21 WeakPolarHBondContact O-CB 3.47Å; Y17-Y21 PolarHBondContact O-N 2.85Å
18	Y	53.5	Low	48.5	Very low	149 Å²	149	100.7 Å²	100.7	58%	0.584	46%	0.456	S	S	*	.	H	α-helix	trans	-72.8	-39	176.9	-164.4	-88.3	0	0	0	111.7	S14 F15 Y20 Y21 Y22	S14-Y18 WeakPolarHBondContact O-CB 3.45Å; S14-Y18 PolarHBondContact O-N 3.03Å; F15-Y18 PolarHBondContact O-N 3.4Å; Y18-Y20 VanDerWaalsContact C-N 3.35Å; Y18-Y21 CarbonylContact O-C 3.57Å; Y18-Y21 WeakPolarHBondContact O-CB 3.35Å; Y18-Y21 PolarHBondContact O-N 2.95Å; Y18-Y22 WeakPolarHBondContact O-CB 3.48Å; Y18-Y22 PolarHBondContact O-N 3.46Å
19	Y	50	Low	47.9	Very low	124 Å²	124	99 Å²	99	49%	0.486	46%	0.464	S	S	.	.	H	α-helix	trans	-66.8	-39.3	174	-153.7	-89.3	0	0	0	111	F15 Y21 Y22 Y23	F15-Y19 HydrophobicContact CE1-CD2 4.45Å; F15-Y19 HydrophobicContact CZ-CD2 4.48Å; F15-Y19 VanDerWaalsContact O-CB 3.29Å; F15-Y19 WeakPolarHBondContact O-CB 3.23Å; F15-Y19 PolarHBondContact O-N 3.33Å; Y19-Y21 VanDerWaalsContact C-N 3.33Å; Y19-Y21 PolarHBondContact O-N 3.44Å; Y19-Y22 PolarHBondContact O-N 3.05Å; Y19-Y23 WeakPolarHBondContact O-CB 3.42Å; Y19-Y23 PolarHBondContact O-N 3.38Å
20	Y	48.8	Very low	47.2	Very low	85 Å²	85	102.5 Å²	102.5	33%	0.333	48%	0.48	S	S	.	.	H	α-helix	trans	-57	-45.8	168.4	-179.8	-99.7	0	0	0	111.4	V16 Y17 Y18 Y24 F473	V16-Y20 WeakPolarHBondContact O-CB 3.25Å; V16-Y20 PolarHBondContact O-N 2.98Å; Y17-Y20 WeakPolarHBondContact O-CB 3.27Å; Y18-Y20 VanDerWaalsContact C-N 3.35Å; Y20-Y24 HydrophobicContact CD2-CD2 4.33Å; Y20-Y24 HydrophobicContact CD2-CE2 4.34Å; Y20-Y24 HydrophobicContact CE1-CD2 4.29Å; Y20-Y24 HydrophobicContact CE2-CD2 4.05Å; Y20-Y24 AromaticContact CE2-CE2 3.71Å; Y20-Y24 HydrophobicContact CE2-CE2 3.71Å; Y20-Y24 AromaticContact CZ-CE2 3.82Å; Y20-Y24 WeakPolarHBondContact O-CB 3.44Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.35Å; Y20-Y24 PolarHBondContact O-N 3.21Å; Y20-Y24 VanDerWaalsContact O-N 3.16Å; Y20-F473 AromaticContact CD2-CE1 3.85Å; Y20-F473 HydrophobicContact CD2-CE1 3.85Å; Y20-F473 HydrophobicContact CD2-CZ 4.28Å; Y20-F473 AromaticContact CE2-CE1 3.54Å; Y20-F473 HydrophobicContact CE2-CE1 3.54Å; Y20-F473 AromaticContact CE2-CZ 3.56Å; Y20-F473 HydrophobicContact CE2-CZ 3.56Å
21	Y	46.8	Very low	46.6	Very low	130 Å²	130	107 Å²	107	51%	0.51	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-41.4	177	-168	-92.1	0	0	0	112.9	Y17 Y18 Y19 Y24 S25	Y17-Y21 WeakPolarHBondContact O-CB 3.47Å; Y17-Y21 PolarHBondContact O-N 2.85Å; Y18-Y21 CarbonylContact O-C 3.57Å; Y18-Y21 WeakPolarHBondContact O-CB 3.35Å; Y18-Y21 PolarHBondContact O-N 2.95Å; Y19-Y21 VanDerWaalsContact C-N 3.33Å; Y19-Y21 PolarHBondContact O-N 3.44Å; Y21-Y24 PolarHBondContact O-N 3.04Å; Y21-S25 WeakPolarHBondContact CE1-OG 3.36Å; Y21-S25 VanDerWaalsContact O-CB 3.29Å; Y21-S25 WeakPolarHBondContact O-CB 3.41Å; Y21-S25 PolarHBondContact O-N 3.46Å; Y21-S25 PolarHBondContact O-OG 3.34Å
22	Y	47.6	Very low	45.9	Very low	142 Å²	142	111.6 Å²	111.6	56%	0.557	52%	0.521	S	S	*	.	H	α-helix	trans	-66.9	-44	179.8	-167.4	-92	0	0	0	111.5	Y18 Y19 Y24 S25 C26	Y18-Y22 WeakPolarHBondContact O-CB 3.48Å; Y18-Y22 PolarHBondContact O-N 3.46Å; Y19-Y22 PolarHBondContact O-N 3.05Å; Y22-Y24 VanDerWaalsContact C-N 3.29Å; Y22-Y24 PolarHBondContact O-N 3.22Å; Y22-S25 PolarHBondContact O-N 2.96Å; Y22-S25 VanDerWaalsContact O-N 3.17Å; Y22-C26 PolarHBondContact O-N 3.49Å
23	Y	43.1	Very low	45	Very low	167 Å²	167	115.5 Å²	115.5	66%	0.655	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-36.3	176.7	-151.4	-88.2	0	0	0	112.2	Y19 S27	Y19-Y23 WeakPolarHBondContact O-CB 3.42Å; Y19-Y23 PolarHBondContact O-N 3.38Å; Y23-S27 PolarHBondContact O-OG 3.23Å; Y23-S27 VanDerWaalsContact O-OG 3.1Å
24	Y	42	Very low	44.1	Very low	75 Å²	75	119 Å²	119	29%	0.294	54%	0.544	S	S	.	.	H	α-helix	trans	-71.5	-36.8	173.5	-98.8	-82	0	0	0	113.4	Y20 Y21 Y22 S27 V471	Y20-Y24 HydrophobicContact CD2-CD2 4.33Å; Y20-Y24 HydrophobicContact CD2-CE2 4.34Å; Y20-Y24 HydrophobicContact CE1-CD2 4.29Å; Y20-Y24 HydrophobicContact CE2-CD2 4.05Å; Y20-Y24 AromaticContact CE2-CE2 3.71Å; Y20-Y24 HydrophobicContact CE2-CE2 3.71Å; Y20-Y24 AromaticContact CZ-CE2 3.82Å; Y20-Y24 WeakPolarHBondContact O-CB 3.44Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.35Å; Y20-Y24 PolarHBondContact O-N 3.21Å; Y20-Y24 VanDerWaalsContact O-N 3.16Å; Y21-Y24 PolarHBondContact O-N 3.04Å; Y22-Y24 VanDerWaalsContact C-N 3.29Å; Y22-Y24 PolarHBondContact O-N 3.22Å; Y24-S27 PolarHBondContact O-N 3.03Å; Y24-V471 HydrophobicContact CE2-CG1 3.9Å; Y24-V471 HydrophobicContact CE2-CG2 4.23Å; Y24-V471 VanDerWaalsContact OH-CB 3.31Å; Y24-V471 WeakPolarHBondContact OH-CB 3.36Å; Y24-V471 WeakPolarHBondContact OH-CG1 3.15Å; Y24-V471 WeakPolarHBondContact OH-CG2 3.25Å
25	S	40.4	Very low	43.2	Very low	45 Å²	45	121.8 Å²	121.8	32%	0.315	56%	0.563	S	S	.	*	H	α-helix	trans	-70	-32.6	-179.8	-61.1	0	0	0	0	112.9	Y21 Y22 S27	Y21-S25 WeakPolarHBondContact CE1-OG 3.36Å; Y21-S25 VanDerWaalsContact O-CB 3.29Å; Y21-S25 WeakPolarHBondContact O-CB 3.41Å; Y21-S25 PolarHBondContact O-N 3.46Å; Y21-S25 PolarHBondContact O-OG 3.34Å; Y22-S25 PolarHBondContact O-N 2.96Å; Y22-S25 VanDerWaalsContact O-N 3.17Å; S25-S27 PolarHBondContact O-N 3.06Å
26	C	38.9	Very low	42.2	Very low	93 Å²	93	124 Å²	124	63%	0.628	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-13.7	174.9	-71.3	0	0	0	0	113.6	Y22	Y22-C26 PolarHBondContact O-N 3.49Å
27	S	40.6	Very low	41.3	Very low	77 Å²	77	129.2 Å²	129.2	54%	0.538	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.4	-13.3	-176.6	-61.2	0	0	0	0	114.2	Y23 Y24 S25	Y23-S27 PolarHBondContact O-OG 3.23Å; Y23-S27 VanDerWaalsContact O-OG 3.1Å; Y24-S27 PolarHBondContact O-N 3.03Å; S25-S27 PolarHBondContact O-N 3.06Å
28	F	35.9	Very low	40.5	Very low	125 Å²	125	128 Å²	128	55%	0.548	59%	0.591	S	S	.	*	S	Bend	trans	-133.4	124.6	-178.3	-77.2	-85.3	0	0	0	112.7
29	G	35.4	Very low	39.7	Very low	67 Å²	67	126.9 Å²	126.9	69%	0.691	60%	0.595	S	S	*	*			trans	-56.7	151.9	-178.8	0	0	0	0	0	114.8	Q31	G29-Q31 PolarHBondContact O-N 3.26Å
30	F	35	Very low	38.9	Very low	153 Å²	153	128 Å²	128	67%	0.671	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-54.8	-10.6	-164.1	-143.6	-87.1	0	0	0	117.5	R33	F30-R33 VanDerWaalsContact CE2-NH2 3.26Å; F30-R33 WeakPolarHBondContact O-CD 3.39Å; F30-R33 WeakPolarHBondContact O-CG 3.41Å
31	Q	37	Very low	38.1	Very low	197 Å²	197	134.4 Å²	134.4	92%	0.921	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-94.3	-5.9	-167.9	-83	-174.5	-21.8	0	0	117.1	G29	G29-Q31 PolarHBondContact O-N 3.26Å
32	K	38.2	Very low	37.3	Very low	174 Å²	174	136.2 Å²	136.2	76%	0.757	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-98	16.8	174.5	-93.7	-176.5	176.9	-178.9	0	114.6	R34	K32-R34 VanDerWaalsContact C-N 3.34Å; K32-R34 PolarHBondContact O-N 3.16Å
33	R	37.2	Very low	36.5	Very low	153 Å²	153	135.5 Å²	135.5	58%	0.577	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-4.3	-169.1	-74.5	-178.2	-172.2	-154.6	0.1	117.4	F30	F30-R33 VanDerWaalsContact CE2-NH2 3.26Å; F30-R33 WeakPolarHBondContact O-CD 3.39Å; F30-R33 WeakPolarHBondContact O-CG 3.41Å
34	R	35.8	Very low	35.7	Very low	211 Å²	211	136.3 Å²	136.3	80%	0.796	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	-20.8	-171.1	-146.9	172.2	-178.7	172	0.2	116.7	K32	K32-R34 VanDerWaalsContact C-N 3.34Å; K32-R34 PolarHBondContact O-N 3.16Å
35	S	37.1	Very low	34.9	Very low	91 Å²	91	140.6 Å²	140.6	64%	0.636	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-19.1	-173.2	81.3	0	0	0	0	115.1
36	Y	36.3	Very low	34.1	Very low	156 Å²	156	142 Å²	142	61%	0.612	71%	0.706	S	S	*	*	S	Bend	trans	-83.1	-31.8	-180	-143.5	-91	0	0	0	112.1	L38	Y36-L38 PolarHBondContact O-N 3.3Å
37	F	34.8	Very low	33.3	Very low	158 Å²	158	143.2 Å²	143.2	69%	0.693	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-8.9	-176.1	-127.2	-92.1	0	0	0	114.7
38	L	36	Very low	32.5	Very low	115 Å²	115	145.6 Å²	145.6	60%	0.602	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-11	177.7	-86.9	160.4	0	0	0	114	Y36	Y36-L38 PolarHBondContact O-N 3.3Å
39	N	36.2	Very low	32.1	Very low	126 Å²	126	147.1 Å²	147.1	67%	0.674	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-25.6	-174.9	-103.5	2.3	0	0	0	114.8
40	E	33.9	Very low	31.5	Very low	149 Å²	149	150.4 Å²	150.4	70%	0.696	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-93.3	-7.4	179.5	-73.2	-158.1	157	0	0	115	K42	E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 PolarHBondContact O-N 3.47Å
41	R	32.3	Very low	30.9	Very low	219 Å²	219	152.1 Å²	152.1	83%	0.826	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-84	-0.1	174.7	-144.3	177.3	-179.4	174.5	2	113.6
42	K	30.2	Very low	30.2	Very low	168 Å²	168	147.3 Å²	147.3	73%	0.73	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-102.4	1.4	-171	-86.3	-174.2	175.1	-179.5	0	115.8	E40	E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 PolarHBondContact O-N 3.47Å
43	T	30.1	Very low	29.5	Very low	127 Å²	127	149 Å²	149	78%	0.779	75%	0.749	S	S	*	*	S	Bend	trans	-109.5	12.1	-175.6	30.7	0	0	0	0	115.1
44	F	26.8	Very low	28.8	Very low	184 Å²	184	149 Å²	149	81%	0.807	76%	0.759	S	S	*	*	S	Bend	trans	-138.4	117	170.1	-153.3	-104.2	0	0	0	108.3
45	L	24.2	Very low	28.3	Very low	165 Å²	165	144.2 Å²	144.2	86%	0.864	76%	0.756	S	S	*	*	S	Bend	trans	87	98.2	-169.9	-67.7	123.6	0	0	0	117.6
46	G	24.6	Very low	27.6	Very low	75 Å²	75	146.4 Å²	146.4	77%	0.773	76%	0.759	S	S	*	*				95.1	94.1	120.7	0	0	0	0	0	117.8	T48	G46-T48 PolarHBondContact O-N 3.05Å
47	S	22.2	Very low	27.1	Very low	117 Å²	117	145.7 Å²	145.7	82%	0.818	77%	0.766	S	S	*	*			trans	-52.5	126.9	151.6	49.1	0	0	0	0	112
48	T	23.4	Very low	26.5	Very low	128 Å²	128	147.9 Å²	147.9	79%	0.785	77%	0.771	S	S	*	*			trans	150.3	133.9	135.8	-58.1	0	0	0	0	110.5	G46	G46-T48 PolarHBondContact O-N 3.05Å
49	L	26.6	Very low	26	Very low	156 Å²	156	150.2 Å²	150.2	82%	0.817	78%	0.783	S	S	*	*			trans	100.8	85.4	173.8	-68.3	155.4	0	0	0	119.4
50	L	24.2	Very low	25.4	Very low	136 Å²	136	150.2 Å²	150.2	71%	0.712	79%	0.787	S	S	*	*				51.6	118.7	121.8	-103.8	86.9	0	0	0	122.6
51	K	21.7	Very low	25.1	Very low	189 Å²	189	149.7 Å²	149.7	82%	0.822	79%	0.789	S	S	*	*				50.2	111.3	127.3	-67.3	178.9	-173.1	176.8	0	119.3
52	A	22.9	Very low	24.7	Very low	96 Å²	96	145.4 Å²	145.4	79%	0.793	78%	0.783	S	S	*	*				-178.9	121.1	115.1	0	0	0	0	0	113.6
53	K	23.6	Very low	24.6	Very low	211 Å²	211	144.2 Å²	144.2	92%	0.917	79%	0.785	S	S	*	*			trans	50.7	118	139.1	-64.7	-179.6	175.8	-179.7	0	122
54	L	22.1	Very low	24.4	Very low	151 Å²	151	146.7 Å²	146.7	79%	0.791	79%	0.793	S	S	*	*			trans	-52.3	159.2	151.9	-77.7	170	0	0	0	112.4
55	P	24.5	Very low	24.3	Very low	111 Å²	111	145.8 Å²	145.8	72%	0.721	79%	0.789	S	S	*	*				-143.4	154.7	53.1	36.3	-14.8	0	0	0	118.8
56	I	23	Very low	24.5	Very low	138 Å²	138	144.9 Å²	144.9	71%	0.708	78%	0.783	S	S	*	*			trans	-80.2	114.1	165.4	-68.4	167.6	0	0	0	107.5
57	N	25.9	Very low	24.3	Very low	140 Å²	140	149.9 Å²	149.9	75%	0.749	78%	0.784	S	S	*	*			trans	-97.9	114.2	163.9	-86.6	-16.1	0	0	0	110	L59	N57-L59 PolarHBondContact O-N 2.71Å
58	Y	22.1	Very low	24.5	Very low	205 Å²	205	152.3 Å²	152.3	80%	0.804	78%	0.78	S	S	*	*			trans	-53.6	123.8	149.2	-88.5	-102.5	0	0	0	109.1
59	L	24.6	Very low	24.6	Very low	163 Å²	163	152 Å²	152	85%	0.853	78%	0.78	S	S	*	*			trans	-134.2	96.7	154.6	-77.5	177.3	0	0	0	108.7	N57	N57-L59 PolarHBondContact O-N 2.71Å
60	V	24.4	Very low	24.5	Very low	127 Å²	127	153.5 Å²	153.5	77%	0.77	78%	0.783	S	S	*	*			trans	-53	130.4	147.2	172.1	0	0	0	0	107.6
61	N	26.9	Very low	24.5	Very low	137 Å²	137	156.5 Å²	156.5	73%	0.733	79%	0.79	S	S	*	*			trans	-141.5	125.6	153.9	-152.3	-1.1	0	0	0	111.7	N63	N61-N63 PolarHBondContact O-N 3.19Å
62	N	25	Very low	24.7	Very low	129 Å²	129	156 Å²	156	69%	0.69	79%	0.794	S	S	*	*	S	Bend	trans	2.7	93	157.6	-60.5	-22.4	0	0	0	117.9
63	N	27	Very low	24.8	Very low	144 Å²	144	155.9 Å²	155.9	77%	0.77	79%	0.794	S	S	*	*			trans	174.2	75.8	131.7	-86.7	-24.6	0	0	0	109.8	N61 K65	N61-N63 PolarHBondContact O-N 3.19Å; N63-K65 PolarHBondContact O-N 2.88Å
64	N	27.7	Very low	24.9	Very low	179 Å²	179	154.6 Å²	154.6	96%	0.957	79%	0.791	S	S	*	*			trans	-60.2	66.6	172.6	-83.6	-16.2	0	0	0	112.7
65	K	24.9	Very low	25	Very low	165 Å²	165	155.2 Å²	155.2	72%	0.717	80%	0.795	S	S	*	*			trans	-119.4	96.5	170.6	-77.8	-171.8	176.7	-178.5	0	107.9	N63 F67	N63-K65 PolarHBondContact O-N 2.88Å; K65-F67 HydrophobicContact CB-CD2 4.44Å; K65-F67 PolarHBondContact O-N 2.71Å
66	I	26.6	Very low	24.9	Very low	145 Å²	145	156.4 Å²	156.4	74%	0.744	80%	0.8	S	S	*	*			trans	-72.9	103.6	160.2	-63	172.7	0	0	0	105.6	F68	I66-F68 HydrophobicContact CG2-CD2 4.17Å; I66-F68 HydrophobicContact CG2-CE2 3.91Å; I66-F68 HydrophobicContact CG2-CZ 4.33Å; I66-F68 PolarHBondContact O-N 3.23Å
67	F	22.1	Very low	25	Very low	181 Å²	181	159 Å²	159	79%	0.794	81%	0.806	S	S	*	*			trans	-73.1	111.3	166.6	-98.4	-94	0	0	0	108.2	K65	K65-F67 HydrophobicContact CB-CD2 4.44Å; K65-F67 PolarHBondContact O-N 2.71Å
68	F	25.7	Very low	24.9	Very low	168 Å²	168	157 Å²	157	74%	0.737	80%	0.803	S	S	*	*			trans	-78.1	128.5	160.5	-75.2	-88.4	0	0	0	107.6	I66 E70	I66-F68 HydrophobicContact CG2-CD2 4.17Å; I66-F68 HydrophobicContact CG2-CE2 3.91Å; I66-F68 HydrophobicContact CG2-CZ 4.33Å; I66-F68 PolarHBondContact O-N 3.23Å; F68-E70 PolarHBondContact O-N 3.06Å
69	P	24.5	Very low	24.9	Very low	120 Å²	120	152.7 Å²	152.7	78%	0.779	80%	0.803	S	S	*	*			trans	-67	109	172.7	25.4	-29	0	0	0	109	K71	P69-K71 VanDerWaalsContact C-N 3.34Å; P69-K71 PolarHBondContact O-N 3.16Å
70	E	24.7	Very low	24.9	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.883	79%	0.792	S	S	*	*			trans	-57.5	92.8	163.1	-73.7	178.6	149.7	0	0	109	F68	F68-E70 PolarHBondContact O-N 3.06Å
71	K	24.8	Very low	24.9	Very low	198 Å²	198	148.6 Å²	148.6	86%	0.861	79%	0.794	S	S	*	*			trans	-159.7	23.2	164.3	-115.5	169.8	-171.1	-174.3	0	116.2	P69	P69-K71 VanDerWaalsContact C-N 3.34Å; P69-K71 PolarHBondContact O-N 3.16Å
72	I	26.5	Very low	24.9	Very low	178 Å²	178	150.7 Å²	150.7	91%	0.913	80%	0.804	S	S	*	*	S	Bend	trans	-132.4	54.2	166.4	-48.3	179.3	0	0	0	109.3
73	A	24.8	Very low	24.9	Very low	95 Å²	95	147.5 Å²	147.5	79%	0.785	80%	0.801	S	S	*	*			trans	-139.4	53.7	168.8	0	0	0	0	0	109.1
74	Q	24.5	Very low	24.8	Very low	184 Å²	184	151.9 Å²	151.9	86%	0.86	81%	0.807	S	S	*	*			trans	-135.7	54.1	166	-72.2	-172.8	-6.1	0	0	108.9
75	L	24.8	Very low	24.9	Very low	164 Å²	164	148.6 Å²	148.6	86%	0.859	81%	0.805	S	S	*	*			trans	-107.2	93.9	145.9	-78.8	167.1	0	0	0	104.7	F77	L75-F77 VanDerWaalsContact C-N 3.34Å; L75-F77 PolarHBondContact O-N 3.05Å
76	T	23.2	Very low	25.3	Very low	135 Å²	135	149.5 Å²	149.5	83%	0.828	81%	0.808	S	S	*	*			trans	-51.3	95.2	169.8	43.7	0	0	0	0	109.5	S78	T76-S78 PolarHBondContact O-N 2.75Å
77	F	24.1	Very low	25.6	Very low	194 Å²	194	152.2 Å²	152.2	85%	0.851	82%	0.815	S	S	*	*			trans	-71.6	112.6	146	-98.4	-92.4	0	0	0	105.7	L75 S79	L75-F77 VanDerWaalsContact C-N 3.34Å; L75-F77 PolarHBondContact O-N 3.05Å; F77-S79 PolarHBondContact O-N 2.8Å
78	S	23.3	Very low	26.8	Very low	98 Å²	98	149.9 Å²	149.9	69%	0.685	82%	0.816	S	S	*	*			trans	-55.9	103.3	168.8	44.4	0	0	0	0	108.6	T76 S80	T76-S78 PolarHBondContact O-N 2.75Å; S78-S80 PolarHBondContact O-N 3.15Å
79	S	23.4	Very low	28.2	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	81%	0.814	S	S	*	*			trans	-74.7	61.3	170.5	49.4	0	0	0	0	110	F77	F77-S79 PolarHBondContact O-N 2.8Å
80	S	23.5	Very low	30.5	Very low	89 Å²	89	148 Å²	148	62%	0.622	82%	0.816	S	S	*	*			trans	-114.9	73.7	170.1	59.9	0	0	0	0	108.8	S78	S78-S80 PolarHBondContact O-N 3.15Å
81	S	25.6	Very low	33.2	Very low	116 Å²	116	141 Å²	141	81%	0.811	78%	0.784	S	S	*	*			trans	155.2	50.5	156.5	53	0	0	0	0	113.7	G83	S81-G83 PolarHBondContact O-N 2.56Å
82	L	26	Very low	36.1	Very low	181 Å²	181	137 Å²	137	95%	0.948	77%	0.772	S	S	*	*			trans	-79.8	59.5	155.8	-96.5	133.9	0	0	0	109.3
83	G	25	Very low	39.1	Very low	61 Å²	61	131.7 Å²	131.7	63%	0.629	74%	0.74	S	S	*	*			trans	-102.3	111.6	175.9	0	0	0	0	0	109.7	S81	S81-G83 PolarHBondContact O-N 2.56Å
84	R	24.9	Very low	42.3	Very low	236 Å²	236	127.7 Å²	127.7	89%	0.891	71%	0.707	S	S	*	*			trans	57.2	113.1	167.4	-120.9	170.8	-178	166.2	-0.1	114.2	K86	R84-K86 PolarHBondContact O-N 2.88Å
85	A	30.3	Very low	45.5	Very low	110 Å²	110	119.8 Å²	119.8	91%	0.909	67%	0.67	S	S	*	*			trans	-56.7	90	158.4	0	0	0	0	0	108.4	K87	A85-K87 PolarHBondContact O-N 3.33Å
86	K	32.2	Very low	48.6	Very low	184 Å²	184	116.3 Å²	116.3	80%	0.8	66%	0.664	S	S	*	*			trans	-57.2	125.8	168.2	-81	179.9	175.7	176.6	0	104.9	R84 T88	R84-K86 PolarHBondContact O-N 2.88Å; K86-T88 PolarHBondContact O-N 3.43Å
87	K	34.4	Very low	51.8	Low	203 Å²	203	117.8 Å²	117.8	88%	0.883	66%	0.659	S	S	*	*			trans	-43.9	107.6	163.7	-97.1	178.3	170.8	178.7	0	106.1	A85 T89	A85-K87 PolarHBondContact O-N 3.33Å; K87-T89 PolarHBondContact O-N 3.14Å
88	T	46.1	Very low	55	Low	131 Å²	131	109.7 Å²	109.7	80%	0.804	62%	0.624	S	S	*	*			trans	-66.7	95.8	174.6	-15.5	0	0	0	0	104.5	K86 V90	K86-T88 PolarHBondContact O-N 3.43Å; T88-V90 PolarHBondContact O-N 3.27Å
89	T	54.8	Low	57.9	Low	113 Å²	113	109 Å²	109	69%	0.693	62%	0.624	S	S	*	*			trans	-55.6	110.9	167.4	40.9	0	0	0	0	105.1	K87 I91	K87-T89 PolarHBondContact O-N 3.14Å; T89-I91 VanDerWaalsContact C-N 3.33Å; T89-I91 PolarHBondContact O-N 2.84Å
90	V	72.7	Confident	60.8	Low	136 Å²	136	107.3 Å²	107.3	82%	0.824	61%	0.606	S	S	*	*			trans	-66.2	101.3	179.1	179	0	0	0	0	105.5	T88 D92	T88-V90 PolarHBondContact O-N 3.27Å; V90-D92 PolarHBondContact O-N 2.87Å
91	I	81.8	Confident	63.7	Low	42 Å²	42	108.8 Å²	108.8	22%	0.215	62%	0.615	C	S	.	*			trans	-74.4	121.8	175.5	-64.9	165.4	0	0	0	106.5	T89 D308 R310 V311	T89-I91 VanDerWaalsContact C-N 3.33Å; T89-I91 PolarHBondContact O-N 2.84Å; I91-D308 HydrophobicContact CD1-CB 4.36Å; I91-D308 VanDerWaalsContact CD1-OD2 3.31Å; I91-D308 WeakPolarHBondContact CD1-OD2 3.26Å; I91-R310 HydrophobicContact CG2-CB 4.17Å; I91-V311 HydrophobicContact CD1-CB 4.3Å
92	D	85.1	Confident	66.7	Low	115 Å²	115	105.6 Å²	105.6	62%	0.615	59%	0.588	S	S	*	*			trans	-55.9	141.5	173.6	-74.9	-21.6	0	0	0	110.1	V90 P94	V90-D92 PolarHBondContact O-N 2.87Å; D92-P94 VanDerWaalsContact O-CD 3.23Å; D92-P94 WeakPolarHBondContact O-CD 3.46Å
93	R	90.4	Very high	69.8	Low	65 Å²	65	101.2 Å²	101.2	25%	0.245	57%	0.566	C	S	.	*			trans	-72.9	114.5	177.9	-70.6	-177.2	61.8	-174.3	-9.1	109.4	Q95 A96 H409 D410 E411	R93-Q95 PolarHBondContact O-N 2.82Å; R93-A96 WeakPolarHBondContact O-CB 3.23Å; R93-A96 PolarHBondContact O-N 2.96Å; R93-A96 VanDerWaalsContact O-N 3.1Å; R93-H409 PolarHBondContact NH1-O 2.84Å; R93-H409 PolarHBondContact NH2-O 3.17Å; R93-D410 PolarHBondContact NH2-O 2.72Å; R93-D410 IonicContact NH2-OD2 3.92Å; R93-D410 PolarHBondContact NH2-OD2 2.89Å; R93-E411 IonicContact CZ-OE1 3.32Å; R93-E411 IonicContact NE-OE1 3.44Å; R93-E411 IonicContact NH1-OE1 2.81Å; R93-E411 PolarHBondContact NH1-OE1 3.07Å
94	P	92.1	Very high	73	Confident	12 Å²	12	98.8 Å²	98.8	8%	0.078	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-58.8	-31.9	178.6	24.2	-34.8	0	0	0	111.7	D92 A96 K97 F98 L210 F228 R310	D92-P94 VanDerWaalsContact O-CD 3.23Å; D92-P94 WeakPolarHBondContact O-CD 3.46Å; P94-A96 PolarHBondContact O-N 2.82Å; P94-A96 VanDerWaalsContact O-N 3.12Å; P94-K97 PolarHBondContact O-N 2.74Å; P94-F98 HydrophobicContact CB-CE1 4.4Å; P94-F98 HydrophobicContact CB-CZ 4.43Å; P94-F98 WeakPolarHBondContact O-CD1 3.18Å; P94-F98 WeakPolarHBondContact O-CE1 3.41Å; P94-L210 HydrophobicContact CG-CD2 3.6Å; P94-F228 HydrophobicContact CB-CD1 3.89Å; P94-F228 HydrophobicContact CB-CD2 3.75Å; P94-F228 HydrophobicContact CB-CE1 3.94Å; P94-F228 HydrophobicContact CB-CE2 3.79Å; P94-F228 HydrophobicContact CB-CG 3.8Å; P94-F228 HydrophobicContact CB-CZ 3.89Å; P94-F228 HydrophobicContact CG-CD1 4.38Å; P94-F228 HydrophobicContact CG-CD2 4.39Å; P94-F228 HydrophobicContact CG-CE1 3.93Å; P94-F228 HydrophobicContact CG-CE2 3.92Å; P94-F228 HydrophobicContact CG-CZ 3.67Å; P94-R310 HydrophobicContact CG-CG 4.48Å
95	Q	91.3	Very high	76.1	Confident	18 Å²	18	89.3 Å²	89.3	8%	0.084	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-58.5	-28.3	179.3	-51.6	104.5	-60.3	0	0	113.4	R93 K97 F98 I102 R205 L210 D410	R93-Q95 PolarHBondContact O-N 2.82Å; Q95-K97 PolarHBondContact O-N 3.24Å; Q95-F98 HydrophobicContact CB-CD2 4.22Å; Q95-F98 HydrophobicContact CB-CE2 4.19Å; Q95-F98 HydrophobicContact CG-CD2 4.49Å; Q95-F98 HydrophobicContact CG-CE2 4.01Å; Q95-F98 PolarHBondContact O-N 2.74Å; Q95-I102 HydrophobicContact CB-CD1 4.21Å; Q95-I102 HydrophobicContact CG-CD1 3.7Å; Q95-R205 PolarHBondContact NE2-O 3.39Å; Q95-L210 HydrophobicContact CG-CD1 4.1Å; Q95-L210 HydrophobicContact CG-CD2 4.29Å; Q95-D410 PolarHBondContact NE2-OD2 2.62Å
96	A	90	Very high	78.8	Confident	90 Å²	90	88.8 Å²	88.8	74%	0.744	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-67.9	-15.7	178.4	0	0	0	0	0	113.2	R93 P94	R93-A96 WeakPolarHBondContact O-CB 3.23Å; R93-A96 PolarHBondContact O-N 2.96Å; R93-A96 VanDerWaalsContact O-N 3.1Å; P94-A96 PolarHBondContact O-N 2.82Å; P94-A96 VanDerWaalsContact O-N 3.12Å
97	K	90.6	Very high	81.3	Confident	167 Å²	167	86.9 Å²	86.9	73%	0.726	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-100.1	-5.1	178.8	-59.9	-178.5	-177.1	176.4	0	112.8	P94 Q95	P94-K97 PolarHBondContact O-N 2.74Å; Q95-K97 PolarHBondContact O-N 3.24Å
98	F	90.5	Very high	83.6	Confident	24 Å²	24	79.6 Å²	79.6	11%	0.105	45%	0.451	C	S	.	.			trans	-70.5	137.7	179.1	-62.8	-13.2	0	0	0	110.2	P94 Q95 D100 I102 L210 F228 W231	P94-F98 HydrophobicContact CB-CE1 4.4Å; P94-F98 HydrophobicContact CB-CZ 4.43Å; P94-F98 WeakPolarHBondContact O-CD1 3.18Å; P94-F98 WeakPolarHBondContact O-CE1 3.41Å; Q95-F98 HydrophobicContact CB-CD2 4.22Å; Q95-F98 HydrophobicContact CB-CE2 4.19Å; Q95-F98 HydrophobicContact CG-CD2 4.49Å; Q95-F98 HydrophobicContact CG-CE2 4.01Å; Q95-F98 PolarHBondContact O-N 2.74Å; F98-D100 VanDerWaalsContact C-N 3.28Å; F98-D100 WeakPolarHBondContact CB-O 3.39Å; F98-D100 PolarHBondContact O-N 3.39Å; F98-I102 HydrophobicContact CD2-CD1 4.33Å; F98-I102 HydrophobicContact CD2-CG1 4.31Å; F98-I102 HydrophobicContact CE2-CD1 4.19Å; F98-L210 HydrophobicContact CE2-CD1 3.86Å; F98-L210 HydrophobicContact CZ-CD1 4.07Å; F98-F228 HydrophobicContact CE1-CB 4.46Å; F98-F228 HydrophobicContact CE1-CD1 4.16Å; F98-F228 HydrophobicContact CZ-CD1 4.04Å; F98-W231 HydrophobicContact CD1-CB 4.26Å; F98-W231 HydrophobicContact CD1-CD2 4.34Å; F98-W231 HydrophobicContact CD1-CG 4.16Å; F98-W231 HydrophobicContact CD2-CD2 4.08Å; F98-W231 AromaticContact CD2-CE2 3.99Å; F98-W231 HydrophobicContact CD2-CG 4.25Å; F98-W231 HydrophobicContact CE1-CB 4.31Å; F98-W231 AromaticContact CE1-CD2 3.89Å; F98-W231 HydrophobicContact CE1-CD2 3.89Å; F98-W231 AromaticContact CE1-CE3 3.77Å; F98-W231 HydrophobicContact CE1-CE3 3.77Å; F98-W231 HydrophobicContact CE1-CG 4.13Å; F98-W231 HydrophobicContact CE1-CZ3 4.47Å; F98-W231 AromaticContact CE2-CD2 3.59Å; F98-W231 HydrophobicContact CE2-CD2 3.59Å; F98-W231 AromaticContact CE2-CE2 3.55Å; F98-W231 AromaticContact CE2-CE3 3.81Å; F98-W231 HydrophobicContact CE2-CE3 3.81Å; F98-W231 HydrophobicContact CE2-CG 4.22Å; F98-W231 HydrophobicContact CE2-CH2 4.01Å; F98-W231 AromaticContact CE2-CZ2 3.77Å; F98-W231 HydrophobicContact CE2-CZ2 3.77Å; F98-W231 HydrophobicContact CE2-CZ3 4.01Å; F98-W231 HydrophobicContact CG-CD2 4.45Å; F98-W231 HydrophobicContact CG-CG 4.25Å; F98-W231 AromaticContact CZ-CD2 3.49Å; F98-W231 HydrophobicContact CZ-CD2 3.49Å; F98-W231 VanDerWaalsContact CZ-CD2 3.49Å; F98-W231 AromaticContact CZ-CE2 3.95Å; F98-W231 AromaticContact CZ-CE3 3.28Å; F98-W231 HydrophobicContact CZ-CE3 3.28Å; F98-W231 HydrophobicContact CZ-CG 4.17Å; F98-W231 HydrophobicContact CZ-CH2 4.08Å; F98-W231 HydrophobicContact CZ-CZ2 4.22Å; F98-W231 AromaticContact CZ-CZ3 3.6Å; F98-W231 HydrophobicContact CZ-CZ3 3.6Å
99	A	85.6	Confident	85.6	Confident	82 Å²	82	74.4 Å²	74.4	68%	0.678	42%	0.417	S	S	*	.	S	Bend	trans	-70.3	-25	-179.4	0	0	0	0	0	113
100	D	82.9	Confident	87.1	Confident	78 Å²	78	76.6 Å²	76.6	42%	0.417	41%	0.413	S	S	.	.	S	Bend	trans	-112.6	136.2	168.1	-59.4	-36.2	0	0	0	109.5	F98 R232	F98-D100 VanDerWaalsContact C-N 3.28Å; F98-D100 WeakPolarHBondContact CB-O 3.39Å; F98-D100 PolarHBondContact O-N 3.39Å; D100-R232 VanDerWaalsContact CG-CZ 3.41Å; D100-R232 IonicContact OD1-CZ 3.61Å; D100-R232 VanDerWaalsContact OD1-CZ 3.28Å; D100-R232 IonicContact OD1-NH1 3.28Å; D100-R232 PolarHBondContact OD1-NH1 2.9Å; D100-R232 IonicContact OD1-NH2 3.89Å; D100-R232 PolarHBondContact OD1-NH2 3.48Å; D100-R232 IonicContact OD2-CZ 3.45Å; D100-R232 IonicContact OD2-NE 2.84Å; D100-R232 IonicContact OD2-NH1 2.96Å; D100-R232 PolarHBondContact OD2-NH1 2.84Å; D100-R232 IonicContact OD2-NH2 2.79Å; D100-R232 PolarHBondContact OD2-NH2 3.06Å
101	C	84.1	Confident	87.8	Confident	120 Å²	120	70.5 Å²	70.5	81%	0.811	38%	0.376	S	S	*	.			trans	-65.4	145	171.3	-63	0	0	0	0	110.9	D103	C101-D103 PolarHBondContact O-N 3.11Å
102	I	89.8	Confident	87.9	Confident	49 Å²	49	74.3 Å²	74.3	25%	0.251	39%	0.391	S	S	.	.			trans	-67.3	130	172.6	-60.4	-178.8	0	0	0	109.2	Q95 F98 N104 L210	Q95-I102 HydrophobicContact CB-CD1 4.21Å; Q95-I102 HydrophobicContact CG-CD1 3.7Å; F98-I102 HydrophobicContact CD2-CD1 4.33Å; F98-I102 HydrophobicContact CD2-CG1 4.31Å; F98-I102 HydrophobicContact CE2-CD1 4.19Å; I102-N104 PolarHBondContact O-N 3.37Å; I102-L210 HydrophobicContact CD1-CD1 4.3Å
103	D	90.2	Very high	88	Confident	89 Å²	89	69.2 Å²	69.2	48%	0.476	36%	0.364	S	S	.	.			trans	-86.5	100.2	177	-177.3	5.9	0	0	0	110.3	C101 S105 Q208	C101-D103 PolarHBondContact O-N 3.11Å; D103-S105 WeakPolarHBondContact OD1-CA 3.41Å; D103-S105 WeakPolarHBondContact OD1-CB 3.46Å; D103-S105 PolarHBondContact OD1-N 3.02Å; D103-S105 PolarHBondContact OD1-OG 3.03Å; D103-S105 PolarHBondContact OD2-OG 3.34Å; D103-Q208 PolarHBondContact O-NE2 3.41Å
104	N	91.9	Very high	87.7	Confident	11 Å²	11	72 Å²	72	6%	0.059	38%	0.383	C	S	.	.			trans	-97.4	20.5	173.1	-71.2	-33.2	0	0	0	113.1	I102 Y207 Q208 R407 D410	I102-N104 PolarHBondContact O-N 3.37Å; N104-Y207 HydrophobicContact CB-CD1 4.03Å; N104-Q208 WeakPolarHBondContact OD1-CG 3.35Å; N104-Q208 PolarHBondContact OD1-NE2 3.27Å; N104-R407 HydrophobicContact CB-CB 3.94Å; N104-R407 HydrophobicContact CB-CG 4.24Å; N104-R407 WeakPolarHBondContact CB-O 3.46Å; N104-R407 PolarHBondContact ND2-O 3.49Å; N104-R407 WeakPolarHBondContact O-CD 3.43Å; N104-R407 VanDerWaalsContact O-CG 3.31Å; N104-R407 WeakPolarHBondContact O-CG 3.39Å; N104-R407 PolarHBondContact O-NH1 2.75Å; N104-D410 WeakPolarHBondContact ND2-CA 3.31Å; N104-D410 VanDerWaalsContact ND2-CB 3.29Å; N104-D410 WeakPolarHBondContact ND2-CB 3.41Å; N104-D410 PolarHBondContact ND2-OD1 3.44Å
105	S	90.8	Very high	87.6	Confident	37 Å²	37	74.8 Å²	74.8	26%	0.259	40%	0.399	S	S	.	.	S	Bend	trans	-66.1	167.9	176.6	73.8	0	0	0	0	112.2	D103 K107 R407	D103-S105 WeakPolarHBondContact OD1-CA 3.41Å; D103-S105 WeakPolarHBondContact OD1-CB 3.46Å; D103-S105 PolarHBondContact OD1-N 3.02Å; D103-S105 PolarHBondContact OD1-OG 3.03Å; D103-S105 PolarHBondContact OD2-OG 3.34Å; S105-K107 PolarHBondContact O-N 3.02Å; S105-K107 PolarHBondContact OG-N 3.02Å; S105-R407 PolarHBondContact O-NH1 3.02Å
106	K	87.2	Confident	87.8	Confident	98 Å²	98	75 Å²	75	43%	0.426	40%	0.4	S	S	.	.	S	Bend	trans	-80.8	4.7	177.2	-64.2	169.1	-172.6	159.2	0	112.5	T370 E404	K106-T370 HydrophobicContact CD-CG2 4.35Å; K106-E404 IonicContact NZ-OE2 2.73Å; K106-E404 PolarHBondContact NZ-OE2 2.97Å
107	K	85.3	Confident	88	Confident	144 Å²	144	72.5 Å²	72.5	63%	0.626	37%	0.373	S	S	*	.	S	Bend	trans	-70.5	149.7	179	-64.4	176.4	-176.8	173.2	0	109.5	S105 I368	S105-K107 PolarHBondContact O-N 3.02Å; S105-K107 PolarHBondContact OG-N 3.02Å; K107-I368 WeakPolarHBondContact O-CD1 3.24Å
108	P	83.1	Confident	88.3	Confident	51 Å²	51	67.6 Å²	67.6	33%	0.331	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-54.3	141.9	170.4	-26.3	35.2	0	0	0	111.8	R110 C136 Y138	P108-R110 PolarHBondContact O-N 3.02Å; P108-R110 VanDerWaalsContact O-N 3.17Å; P108-C136 VanDerWaalsContact CB-O 3.28Å; P108-C136 WeakPolarHBondContact CB-O 3.14Å; P108-C136 HydrophobicContact CG-CB 3.94Å; P108-C136 WeakPolarHBondContact CG-O 3.14Å; P108-Y138 HydrophobicContact CB-CD2 4.2Å; P108-Y138 HydrophobicContact CB-CE2 4.03Å
109	F	86.5	Confident	88.5	Confident	21 Å²	21	68.8 Å²	68.8	9%	0.092	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-61	118.2	177.4	173.7	-102.8	0	0	0	110.1	P111 Y138 Q261 L366 I368	F109-P111 HydrophobicContact CE1-CG 4.35Å; F109-Y138 WeakPolarHBondContact O-CD2 3.13Å; F109-Q261 HydrophobicContact CE1-CB 4.45Å; F109-Q261 WeakPolarHBondContact CZ-O 3.33Å; F109-L366 HydrophobicContact CB-CB 4.49Å; F109-L366 HydrophobicContact CB-CD2 4.13Å; F109-L366 HydrophobicContact CB-CG 4.46Å; F109-L366 HydrophobicContact CD1-CB 4.06Å; F109-L366 HydrophobicContact CD1-CD2 4.29Å; F109-L366 HydrophobicContact CD2-CD2 3.72Å; F109-L366 HydrophobicContact CE2-CD2 4.2Å; F109-L366 HydrophobicContact CG-CB 4.25Å; F109-L366 HydrophobicContact CG-CD2 3.77Å; F109-L366 HydrophobicContact CG-CG 4.41Å; F109-I368 HydrophobicContact CB-CD1 3.76Å; F109-I368 HydrophobicContact CB-CG1 3.99Å
110	R	86.2	Confident	88.9	Confident	159 Å²	159	70.5 Å²	70.5	60%	0.6	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-99.1	120.3	175.5	-177.2	178.5	174.3	178.3	0.7	109.5	P108 K112 Y138	P108-R110 PolarHBondContact O-N 3.02Å; P108-R110 VanDerWaalsContact O-N 3.17Å; R110-K112 PolarHBondContact O-N 3.3Å; R110-Y138 HydrophobicContact CB-CD2 4.19Å; R110-Y138 HydrophobicContact CB-CE2 3.76Å; R110-Y138 HydrophobicContact CG-CD1 4.45Å; R110-Y138 HydrophobicContact CG-CE1 4.06Å; R110-Y138 HydrophobicContact CG-CE2 4.21Å
111	P	87.9	Confident	89.3	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.058	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-51.6	134.5	170.4	-29.4	36.8	0	0	0	112.2	F109 W123 M126 P141 Y267	F109-P111 HydrophobicContact CE1-CG 4.35Å; P111-W123 HydrophobicContact CB-CH2 4.16Å; P111-M126 HydrophobicContact CG-SD 4.41Å; P111-P141 HydrophobicContact CB-CG 3.76Å; P111-P141 HydrophobicContact CG-CG 3.84Å; P111-Y267 WeakPolarHBondContact CB-OH 3.2Å
112	K	83.8	Confident	89.2	Confident	121 Å²	121	67.9 Å²	67.9	53%	0.526	35%	0.35	S	S	.	.			trans	-103.1	28.5	-178.7	-57.5	179.7	-178	175.7	0	112.2	R110 L114 S265	R110-K112 PolarHBondContact O-N 3.3Å; K112-L114 PolarHBondContact O-N 2.91Å; K112-L114 VanDerWaalsContact O-N 3.14Å; K112-S265 WeakPolarHBondContact CA-OG 3.28Å; K112-S265 WeakPolarHBondContact CB-OG 3.03Å; K112-S265 PolarHBondContact N-OG 3.39Å
113	L	87.4	Confident	88.7	Confident	9 Å²	9	68.6 Å²	68.6	5%	0.047	35%	0.349	C	S	.	.			trans	-62.8	114.1	-177	-162.5	76.3	0	0	0	110.7	V115 K116 W123 P141 Y142 S265 Y267	L113-V115 WeakPolarHBondContact CG-O 3.3Å; L113-K116 HydrophobicContact CD2-CB 3.64Å; L113-K116 HydrophobicContact CD2-CG 3.81Å; L113-W123 HydrophobicContact CB-CZ2 3.94Å; L113-W123 HydrophobicContact CD2-CD2 4.34Å; L113-W123 PolarHBondContact O-NE1 3.01Å; L113-P141 HydrophobicContact CD2-CB 4.16Å; L113-Y142 HydrophobicContact CD2-CE2 4.1Å; L113-S265 VanDerWaalsContact CD1-O 3.32Å; L113-S265 WeakPolarHBondContact CD1-O 3.43Å; L113-Y267 HydrophobicContact CD1-CD2 4.09Å; L113-Y267 HydrophobicContact CD1-CE2 4.05Å
114	L	85.1	Confident	87.6	Confident	122 Å²	122	69 Å²	69	64%	0.639	36%	0.357	S	S	*	.	S	Bend	trans	-79.2	-41.7	177.2	-63.8	176.8	0	0	0	111.6	K112 Y235	K112-L114 PolarHBondContact O-N 2.91Å; K112-L114 VanDerWaalsContact O-N 3.14Å; L114-Y235 HydrophobicContact CB-CE2 4.41Å; L114-Y235 HydrophobicContact CD1-CD1 4.12Å; L114-Y235 HydrophobicContact CD1-CE1 3.79Å; L114-Y235 HydrophobicContact CD1-CE2 4.38Å
115	V	90.1	Very high	85.9	Confident	71 Å²	71	72.9 Å²	72.9	43%	0.43	38%	0.381	S	S	.	.			trans	-136.5	129.3	-179.1	178.3	0	0	0	0	108.1	L113	L113-V115 WeakPolarHBondContact CG-O 3.3Å
116	K	94	Very high	84.4	Confident	24 Å²	24	73.5 Å²	73.5	10%	0.104	38%	0.38	C	S	.	.			trans	-93.8	94.3	173.5	-166.9	-178.8	170.9	-177	0	109.3	L113 A119 V121 W123 P141 Y142 E145	L113-K116 HydrophobicContact CD2-CB 3.64Å; L113-K116 HydrophobicContact CD2-CG 3.81Å; K116-A119 HydrophobicContact CB-CB 4.25Å; K116-A119 HydrophobicContact CD-CB 3.83Å; K116-A119 HydrophobicContact CG-CB 3.86Å; K116-V121 VanDerWaalsContact NZ-CG2 3.33Å; K116-V121 PolarHBondContact NZ-O 3.1Å; K116-W123 HydrophobicContact CB-CB 3.87Å; K116-W123 HydrophobicContact CB-CG 4.31Å; K116-W123 HydrophobicContact CD-CB 3.94Å; K116-P141 WeakPolarHBondContact CE-O 3.44Å; K116-P141 PolarHBondContact NZ-O 3.17Å; K116-Y142 HydrophobicContact CG-CE1 3.9Å; K116-Y142 HydrophobicContact CG-CE2 3.89Å; K116-Y142 VanDerWaalsContact CG-CZ 3.45Å; K116-Y142 WeakPolarHBondContact CG-OH 3.37Å; K116-E145 WeakPolarHBondContact CE-OE1 3.33Å; K116-E145 WeakPolarHBondContact CE-OE2 3.43Å; K116-E145 IonicContact NZ-OE1 2.72Å; K116-E145 PolarHBondContact NZ-OE1 3.15Å; K116-E145 IonicContact NZ-OE2 3.21Å; K116-E145 PolarHBondContact NZ-OE2 3.37Å
117	H	95.2	Very high	83	Confident	36 Å²	36	70.7 Å²	70.7	17%	0.167	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	151.6	175.2	-60	85	0	0	0	110.5	A119 Y142 N238 E239 T242	H117-A119 PolarHBondContact O-N 3.24Å; H117-A119 VanDerWaalsContact O-N 3.08Å; H117-Y142 PolarHBondContact N-OH 3.37Å; H117-Y142 WeakPolarHBondContact O-CE1 3.49Å; H117-Y142 PolarHBondContact O-OH 2.91Å; H117-N238 HydrophobicContact CB-CB 4.43Å; H117-E239 HydrophobicContact CB-CB 4.33Å; H117-T242 PolarHBondContact O-OG1 3.41Å
118	N	96.2	Very high	81.8	Confident	64 Å²	64	69 Å²	69	34%	0.342	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	30.1	178	-47.8	-71.4	0	0	0	114.4	E239 T242 N243	N118-E239 PolarHBondContact ND2-O 3.09Å; N118-T242 WeakPolarHBondContact CB-O 3.42Å; N118-T242 VanDerWaalsContact ND2-C 3.28Å; N118-T242 PolarHBondContact ND2-OG1 3.25Å; N118-N243 PolarHBondContact ND2-N 3.33Å; N118-N243 VanDerWaalsContact ND2-N 3.16Å
119	A	94.9	Very high	80.8	Confident	49 Å²	49	70.8 Å²	70.8	41%	0.405	38%	0.377	S	S	.	.			trans	-70.6	132.2	-176.3	0	0	0	0	0	111.9	K116 H117	K116-A119 HydrophobicContact CB-CB 4.25Å; K116-A119 HydrophobicContact CD-CB 3.83Å; K116-A119 HydrophobicContact CG-CB 3.86Å; H117-A119 PolarHBondContact O-N 3.24Å; H117-A119 VanDerWaalsContact O-N 3.08Å
120	Q	93.8	Very high	79.3	Confident	119 Å²	119	73.6 Å²	73.6	56%	0.556	40%	0.399	S	S	*	.	S	Bend	trans	-94.7	-27.9	164.5	-65.6	179.3	-11.5	0	0	111.1	Y144 E145	Q120-Y144 HydrophobicContact CB-CD1 4.01Å; Q120-Y144 HydrophobicContact CB-CE1 3.91Å; Q120-E145 HydrophobicContact CB-CG 4.06Å; Q120-E145 HydrophobicContact CG-CG 4.06Å; Q120-E145 PolarHBondContact N-OE1 3.01Å
121	V	91.2	Very high	78	Confident	50 Å²	50	70.9 Å²	70.9	30%	0.303	40%	0.395	S	S	.	.	S	Bend	trans	-119.3	142.4	173.1	-62.5	0	0	0	0	111.7	K116 Y144 E145	K116-V121 VanDerWaalsContact NZ-CG2 3.33Å; K116-V121 PolarHBondContact NZ-O 3.1Å; V121-Y144 HydrophobicContact CG1-CD1 3.54Å; V121-Y144 HydrophobicContact CG1-CD2 3.98Å; V121-Y144 HydrophobicContact CG1-CE1 3.88Å; V121-Y144 HydrophobicContact CG1-CE2 4.3Å; V121-Y144 HydrophobicContact CG1-CG 3.58Å; V121-Y144 HydrophobicContact CG2-CD1 4.41Å; V121-Y144 HydrophobicContact CG2-CG 4.24Å; V121-E145 PolarHBondContact N-OE1 2.88Å; V121-E145 VanDerWaalsContact N-OE1 3.12Å
122	S	82.8	Confident	76.6	Confident	92 Å²	92	76.3 Å²	76.3	64%	0.643	42%	0.42	S	S	*	.			trans	-59.1	150	-178.5	52.4	0	0	0	0	113.1	T125	S122-T125 PolarHBondContact O-OG1 3.09Å; S122-T125 PolarHBondContact OG-OG1 3.12Å
123	W	79.4	Confident	75.1	Confident	65 Å²	65	77.4 Å²	77.4	25%	0.246	44%	0.439	C	S	.	.	S	Bend	trans	-118.9	137.4	173.5	175	-105.2	0	0	0	110.3	P111 L113 K116 M126 P141	P111-W123 HydrophobicContact CB-CH2 4.16Å; L113-W123 HydrophobicContact CB-CZ2 3.94Å; L113-W123 HydrophobicContact CD2-CD2 4.34Å; L113-W123 PolarHBondContact O-NE1 3.01Å; K116-W123 HydrophobicContact CB-CB 3.87Å; K116-W123 HydrophobicContact CB-CG 4.31Å; K116-W123 HydrophobicContact CD-CB 3.94Å; W123-M126 HydrophobicContact CE3-CG 4.27Å; W123-M126 HydrophobicContact CH2-CE 3.34Å; W123-M126 HydrophobicContact CH2-CG 3.63Å; W123-M126 HydrophobicContact CH2-SD 3.25Å; W123-M126 WeakPolarHBondContact CH2-SD 3.35Å; W123-M126 HydrophobicContact CZ2-CE 3.75Å; W123-M126 HydrophobicContact CZ2-SD 4.24Å; W123-M126 HydrophobicContact CZ3-CE 4.07Å; W123-M126 HydrophobicContact CZ3-CG 3.35Å; W123-M126 HydrophobicContact CZ3-SD 3.64Å; W123-P141 HydrophobicContact CE3-CB 4.19Å; W123-P141 HydrophobicContact CH2-CB 4.17Å; W123-P141 HydrophobicContact CH2-CG 3.88Å; W123-P141 HydrophobicContact CZ3-CB 3.7Å; W123-P141 HydrophobicContact CZ3-CG 3.84Å
124	P	66	Low	73.5	Confident	98 Å²	98	81.4 Å²	81.4	64%	0.636	47%	0.474	S	S	*	.			cis	-91.2	122.6	-2.2	33.2	-29.2	0	0	0	112.5
125	T	56.5	Low	72.3	Confident	92 Å²	92	77.2 Å²	77.2	56%	0.564	45%	0.453	S	S	*	.			trans	-105.6	27.2	167.5	-40.4	0	0	0	0	110.8	S122 G127	S122-T125 PolarHBondContact O-OG1 3.09Å; S122-T125 PolarHBondContact OG-OG1 3.12Å; T125-G127 PolarHBondContact O-N 2.96Å
126	M	60.1	Low	70.9	Confident	49 Å²	49	76.6 Å²	76.6	24%	0.241	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-71.5	117.1	-169	-76.4	-164.9	-70.8	0	0	112.9	P111 W123 Y138	P111-M126 HydrophobicContact CG-SD 4.41Å; W123-M126 HydrophobicContact CE3-CG 4.27Å; W123-M126 HydrophobicContact CH2-CE 3.34Å; W123-M126 HydrophobicContact CH2-CG 3.63Å; W123-M126 HydrophobicContact CH2-SD 3.25Å; W123-M126 WeakPolarHBondContact CH2-SD 3.35Å; W123-M126 HydrophobicContact CZ2-CE 3.75Å; W123-M126 HydrophobicContact CZ2-SD 4.24Å; W123-M126 HydrophobicContact CZ3-CE 4.07Å; W123-M126 HydrophobicContact CZ3-CG 3.35Å; W123-M126 HydrophobicContact CZ3-SD 3.64Å; M126-Y138 HydrophobicContact CE-CD1 4.25Å; M126-Y138 HydrophobicContact SD-CD1 3.71Å; M126-Y138 HydrophobicContact SD-CG 4.38Å
127	G	57.6	Low	69.8	Low	39 Å²	39	75.7 Å²	75.7	40%	0.402	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-83.7	148.1	154.2	0	0	0	0	0	111.1	T125	T125-G127 PolarHBondContact O-N 2.96Å
128	I	60.3	Low	69.2	Low	110 Å²	110	76.2 Å²	76.2	56%	0.564	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.1	161.8	-60.6	173.1	0	0	0	106.2	C136 Y138	I128-C136 HydrophobicContact CG2-CB 3.9Å; I128-Y138 HydrophobicContact CD1-CE1 4.41Å; I128-Y138 HydrophobicContact CG1-CD1 4.37Å; I128-Y138 HydrophobicContact CG1-CE1 4.05Å
129	Y	62.1	Low	68.7	Low	87 Å²	87	76.5 Å²	76.5	34%	0.341	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.5	170.8	62.9	-92.7	0	0	0	111.2	I131 C137 E139	Y129-I131 HydrophobicContact CD2-CG1 4.15Å; Y129-I131 HydrophobicContact CE2-CD1 4.34Å; Y129-I131 HydrophobicContact CE2-CG1 3.79Å; Y129-C137 VanDerWaalsContact CD2-SG 3.55Å; Y129-C137 WeakPolarHBondContact CE2-SG 2.87Å; Y129-C137 PolarHBondContact N-O 2.89Å; Y129-C137 PolarHBondContact O-N 2.89Å; Y129-E139 HydrophobicContact CD1-CB 4.18Å; Y129-E139 VanDerWaalsContact CE1-CA 3.44Å; Y129-E139 HydrophobicContact CE1-CB 3.62Å; Y129-E139 HydrophobicContact CE1-CG 3.97Å
130	S	54.4	Low	68.6	Low	80 Å²	80	74.5 Å²	74.5	56%	0.559	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.1	178	-61.5	0	0	0	0	108.9	E132 V135	S130-E132 VanDerWaalsContact C-N 3.33Å; S130-V135 WeakPolarHBondContact CA-O 3.48Å
131	I	58.8	Low	68.5	Low	102 Å²	102	69.4 Å²	69.4	52%	0.523	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-35.7	171.4	-62.3	167.1	0	0	0	109.4	Y129 V135 C137	Y129-I131 HydrophobicContact CD2-CG1 4.15Å; Y129-I131 HydrophobicContact CE2-CD1 4.34Å; Y129-I131 HydrophobicContact CE2-CG1 3.79Å; I131-V135 PolarHBondContact N-O 2.57Å; I131-C137 HydrophobicContact CD1-CB 4.22Å; I131-C137 WeakPolarHBondContact CD1-SG 3.21Å; I131-C137 WeakPolarHBondContact CG1-SG 3.36Å
132	E	58	Low	68.7	Low	124 Å²	124	67 Å²	67	58%	0.579	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	162.6	175.3	-71.9	-174.7	176.2	0	0	108.8	S130 A134 V135	S130-E132 VanDerWaalsContact C-N 3.33Å; E132-A134 PolarHBondContact O-N 2.8Å; E132-V135 HydrophobicContact CB-CB 4.26Å; E132-V135 HydrophobicContact CB-CG2 4.19Å; E132-V135 PolarHBondContact O-N 3.33Å
133	P	52.1	Low	69.3	Low	143 Å²	143	66.1 Å²	66.1	93%	0.929	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-13.7	-178.6	-25.2	33.1	0	0	0	115.4
134	A	54.2	Low	70.1	Confident	94 Å²	94	68.5 Å²	68.5	78%	0.777	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	3.5	-179.5	0	0	0	0	0	114.6	E132	E132-A134 PolarHBondContact O-N 2.8Å
135	V	60.7	Low	71.6	Confident	34 Å²	34	64.1 Å²	64.1	21%	0.206	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	93.8	-175.5	-177	0	0	0	0	109	S130 I131 E132 N367	S130-V135 WeakPolarHBondContact CA-O 3.48Å; I131-V135 PolarHBondContact N-O 2.57Å; E132-V135 HydrophobicContact CB-CB 4.26Å; E132-V135 HydrophobicContact CB-CG2 4.19Å; E132-V135 PolarHBondContact O-N 3.33Å; V135-N367 VanDerWaalsContact CG1-ND2 3.29Å; V135-N367 WeakPolarHBondContact CG1-ND2 3.39Å
136	C	61.1	Low	73.5	Confident	57 Å²	57	59.8 Å²	59.8	39%	0.385	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.2	169	-61.2	0	0	0	0	109	P108 I128	P108-C136 VanDerWaalsContact CB-O 3.28Å; P108-C136 WeakPolarHBondContact CB-O 3.14Å; P108-C136 HydrophobicContact CG-CB 3.94Å; P108-C136 WeakPolarHBondContact CG-O 3.14Å; I128-C136 HydrophobicContact CG2-CB 3.9Å
137	C	71.1	Confident	75.3	Confident	6 Å²	6	61 Å²	61	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.5	170.1	55.5	0	0	0	0	110.1	Y129 I131	Y129-C137 VanDerWaalsContact CD2-SG 3.55Å; Y129-C137 WeakPolarHBondContact CE2-SG 2.87Å; Y129-C137 PolarHBondContact N-O 2.89Å; Y129-C137 PolarHBondContact O-N 2.89Å; I131-C137 HydrophobicContact CD1-CB 4.22Å; I131-C137 WeakPolarHBondContact CD1-SG 3.21Å; I131-C137 WeakPolarHBondContact CG1-SG 3.36Å
138	Y	81.7	Confident	77.2	Confident	47 Å²	47	63.3 Å²	63.3	18%	0.184	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	146.4	169.8	-70.2	-93.9	0	0	0	109.3	P108 F109 R110 M126 I128	P108-Y138 HydrophobicContact CB-CD2 4.2Å; P108-Y138 HydrophobicContact CB-CE2 4.03Å; F109-Y138 WeakPolarHBondContact O-CD2 3.13Å; R110-Y138 HydrophobicContact CB-CD2 4.19Å; R110-Y138 HydrophobicContact CB-CE2 3.76Å; R110-Y138 HydrophobicContact CG-CD1 4.45Å; R110-Y138 HydrophobicContact CG-CE1 4.06Å; R110-Y138 HydrophobicContact CG-CE2 4.21Å; M126-Y138 HydrophobicContact CE-CD1 4.25Å; M126-Y138 HydrophobicContact SD-CD1 3.71Å; M126-Y138 HydrophobicContact SD-CG 4.38Å; I128-Y138 HydrophobicContact CD1-CE1 4.41Å; I128-Y138 HydrophobicContact CG1-CD1 4.37Å; I128-Y138 HydrophobicContact CG1-CE1 4.05Å
139	E	85.5	Confident	78.9	Confident	70 Å²	70	59.3 Å²	59.3	33%	0.327	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-65.5	144.8	173.3	-165.3	170.3	-143.9	0	0	112.4	Y129 P141 K143	Y129-E139 HydrophobicContact CD1-CB 4.18Å; Y129-E139 VanDerWaalsContact CE1-CA 3.44Å; Y129-E139 HydrophobicContact CE1-CB 3.62Å; Y129-E139 HydrophobicContact CE1-CG 3.97Å; E139-P141 WeakPolarHBondContact O-CD 3.3Å; E139-K143 HydrophobicContact CG-CB 4.32Å; E139-K143 HydrophobicContact CG-CD 4.04Å; E139-K143 WeakPolarHBondContact OE1-CD 3.47Å
140	H	92.3	Very high	80.5	Confident	7 Å²	7	60.5 Å²	60.5	3%	0.032	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-59.8	120.2	174	-171.6	-81.6	0	0	0	109.4	Y142 K143 L146 Y267 C362 V365	H140-Y142 PolarHBondContact ND1-N 3.03Å; H140-Y142 PolarHBondContact O-N 3.37Å; H140-K143 HydrophobicContact CB-CB 4.14Å; H140-K143 PolarHBondContact ND1-N 3.08Å; H140-K143 VanDerWaalsContact O-CB 3.29Å; H140-K143 WeakPolarHBondContact O-CB 3.45Å; H140-K143 PolarHBondContact O-N 3.09Å; H140-L146 VanDerWaalsContact CE1-CD1 3.48Å; H140-L146 WeakPolarHBondContact CE1-CD1 3.48Å; H140-Y267 AromaticContact CD2-CE1 3.94Å; H140-Y267 AromaticContact CE1-CD1 3.37Å; H140-Y267 WeakPolarHBondContact CE1-CD1 3.38Å; H140-Y267 AromaticContact CE1-CE1 3.92Å; H140-Y267 AromaticContact NE2-CD1 3.18Å; H140-Y267 WeakPolarHBondContact NE2-CD1 3.43Å; H140-Y267 AromaticContact NE2-CE1 3.52Å; H140-C362 PolarHBondContact NE2-O 3.16Å; H140-V365 HydrophobicContact CB-CG2 3.71Å
141	P	93.2	Very high	82.4	Confident	11 Å²	11	57 Å²	57	7%	0.071	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.6	-173.3	-30.3	38	0	0	0	115.2	P111 L113 K116 W123 E139 Y267	P111-P141 HydrophobicContact CB-CG 3.76Å; P111-P141 HydrophobicContact CG-CG 3.84Å; L113-P141 HydrophobicContact CD2-CB 4.16Å; K116-P141 WeakPolarHBondContact CE-O 3.44Å; K116-P141 PolarHBondContact NZ-O 3.17Å; W123-P141 HydrophobicContact CE3-CB 4.19Å; W123-P141 HydrophobicContact CH2-CB 4.17Å; W123-P141 HydrophobicContact CH2-CG 3.88Å; W123-P141 HydrophobicContact CZ3-CB 3.7Å; W123-P141 HydrophobicContact CZ3-CG 3.84Å; E139-P141 WeakPolarHBondContact O-CD 3.3Å; P141-Y267 HydrophobicContact CB-CE2 4.24Å; P141-Y267 VanDerWaalsContact CD-CZ 3.45Å; P141-Y267 WeakPolarHBondContact CD-OH 3.28Å; P141-Y267 HydrophobicContact CG-CE1 4.1Å; P141-Y267 HydrophobicContact CG-CE2 3.83Å; P141-Y267 WeakPolarHBondContact CG-OH 3.2Å
142	Y	95.7	Very high	84	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	19.4	177.9	-74.4	-93.7	0	0	0	113.4	L113 K116 H117 H140 Y144 E145 L146 T242 Y267 V269	L113-Y142 HydrophobicContact CD2-CE2 4.1Å; K116-Y142 HydrophobicContact CG-CE1 3.9Å; K116-Y142 HydrophobicContact CG-CE2 3.89Å; K116-Y142 VanDerWaalsContact CG-CZ 3.45Å; K116-Y142 WeakPolarHBondContact CG-OH 3.37Å; H117-Y142 PolarHBondContact N-OH 3.37Å; H117-Y142 WeakPolarHBondContact O-CE1 3.49Å; H117-Y142 PolarHBondContact O-OH 2.91Å; H140-Y142 PolarHBondContact ND1-N 3.03Å; H140-Y142 PolarHBondContact O-N 3.37Å; Y142-Y144 VanDerWaalsContact C-N 3.32Å; Y142-Y144 PolarHBondContact O-N 3.18Å; Y142-E145 WeakPolarHBondContact CA-OE2 3.48Å; Y142-E145 HydrophobicContact CD1-CB 4.12Å; Y142-E145 HydrophobicContact CD1-CG 4.05Å; Y142-E145 PolarHBondContact O-N 2.79Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 WeakPolarHBondContact O-CG 3.32Å; Y142-L146 PolarHBondContact O-N 3.33Å; Y142-T242 HydrophobicContact CD1-CG2 4.2Å; Y142-T242 HydrophobicContact CD2-CG2 4.34Å; Y142-T242 HydrophobicContact CE1-CG2 3.73Å; Y142-T242 HydrophobicContact CE2-CG2 3.89Å; Y142-T242 HydrophobicContact CG-CG2 4.47Å; Y142-T242 PolarHBondContact OH-OG1 2.92Å; Y142-Y267 HydrophobicContact CD2-CD1 4.41Å; Y142-Y267 AromaticContact CD2-CD2 3.75Å; Y142-Y267 HydrophobicContact CD2-CD2 3.75Å; Y142-Y267 AromaticContact CD2-CG 3.62Å; Y142-Y267 HydrophobicContact CD2-CG 3.62Å; Y142-Y267 AromaticContact CE2-CD2 3.81Å; Y142-Y267 HydrophobicContact CE2-CD2 3.81Å; Y142-Y267 HydrophobicContact CE2-CG 4.08Å; Y142-V269 HydrophobicContact CD1-CG2 3.99Å; Y142-V269 HydrophobicContact CG-CG2 4.41Å
143	K	95	Very high	85.6	Confident	73 Å²	73	53.6 Å²	53.6	32%	0.317	30%	0.297	S	S	.	.	H	α-helix	trans	-54.6	-48.6	-178.4	178.8	163.1	168.9	50.1	0	111.8	E139 H140 L146 D147 L363	E139-K143 HydrophobicContact CG-CB 4.32Å; E139-K143 HydrophobicContact CG-CD 4.04Å; E139-K143 WeakPolarHBondContact OE1-CD 3.47Å; H140-K143 HydrophobicContact CB-CB 4.14Å; H140-K143 PolarHBondContact ND1-N 3.08Å; H140-K143 VanDerWaalsContact O-CB 3.29Å; H140-K143 WeakPolarHBondContact O-CB 3.45Å; H140-K143 PolarHBondContact O-N 3.09Å; K143-L146 PolarHBondContact O-N 2.65Å; K143-D147 WeakPolarHBondContact CE-OD2 3.46Å; K143-D147 WeakPolarHBondContact CG-OD2 3.31Å; K143-D147 IonicContact NZ-OD1 3.28Å; K143-D147 PolarHBondContact NZ-OD1 3.46Å; K143-D147 IonicContact NZ-OD2 2.96Å; K143-D147 PolarHBondContact NZ-OD2 3Å; K143-D147 WeakPolarHBondContact O-CB 3.42Å; K143-D147 VanDerWaalsContact O-CG 3.23Å; K143-D147 PolarHBondContact O-N 2.84Å; K143-L363 HydrophobicContact CG-CD2 4.28Å
144	Y	95.4	Very high	87.5	Confident	114 Å²	114	52.4 Å²	52.4	45%	0.447	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-48.4	179.9	-178.6	-87.2	0	0	0	111.6	Q120 V121 Y142 L146 D147 N148	Q120-Y144 HydrophobicContact CB-CD1 4.01Å; Q120-Y144 HydrophobicContact CB-CE1 3.91Å; V121-Y144 HydrophobicContact CG1-CD1 3.54Å; V121-Y144 HydrophobicContact CG1-CD2 3.98Å; V121-Y144 HydrophobicContact CG1-CE1 3.88Å; V121-Y144 HydrophobicContact CG1-CE2 4.3Å; V121-Y144 HydrophobicContact CG1-CG 3.58Å; V121-Y144 HydrophobicContact CG2-CD1 4.41Å; V121-Y144 HydrophobicContact CG2-CG 4.24Å; Y142-Y144 VanDerWaalsContact C-N 3.32Å; Y142-Y144 PolarHBondContact O-N 3.18Å; Y144-L146 VanDerWaalsContact C-N 3.29Å; Y144-L146 PolarHBondContact O-N 3.25Å; Y144-D147 PolarHBondContact O-N 3.12Å; Y144-N148 WeakPolarHBondContact CE2-ND2 3.27Å; Y144-N148 WeakPolarHBondContact O-CB 3.42Å; Y144-N148 PolarHBondContact O-N 2.64Å; Y144-N148 PolarHBondContact O-ND2 3.04Å
145	E	97.2	Very high	89.4	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.028	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-38.4	179.1	-70.3	78	-176.4	0	0	111.9	K116 Q120 V121 Y142 F149 V269	K116-E145 WeakPolarHBondContact CE-OE1 3.33Å; K116-E145 WeakPolarHBondContact CE-OE2 3.43Å; K116-E145 IonicContact NZ-OE1 2.72Å; K116-E145 PolarHBondContact NZ-OE1 3.15Å; K116-E145 IonicContact NZ-OE2 3.21Å; K116-E145 PolarHBondContact NZ-OE2 3.37Å; Q120-E145 HydrophobicContact CB-CG 4.06Å; Q120-E145 HydrophobicContact CG-CG 4.06Å; Q120-E145 PolarHBondContact N-OE1 3.01Å; V121-E145 PolarHBondContact N-OE1 2.88Å; V121-E145 VanDerWaalsContact N-OE1 3.12Å; Y142-E145 WeakPolarHBondContact CA-OE2 3.48Å; Y142-E145 HydrophobicContact CD1-CB 4.12Å; Y142-E145 HydrophobicContact CD1-CG 4.05Å; Y142-E145 PolarHBondContact O-N 2.79Å; E145-F149 VanDerWaalsContact O-CB 3.28Å; E145-F149 WeakPolarHBondContact O-CB 3.3Å; E145-F149 PolarHBondContact O-N 3.1Å; E145-F149 VanDerWaalsContact O-N 3.11Å; E145-V269 HydrophobicContact CB-CG2 4.49Å
146	L	98	Very high	90.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-70	-50.3	176.9	-75.7	166.4	0	0	0	111.8	H140 Y142 K143 Y144 N148 F149 V269 R359 C362 L363	H140-L146 VanDerWaalsContact CE1-CD1 3.48Å; H140-L146 WeakPolarHBondContact CE1-CD1 3.48Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 WeakPolarHBondContact O-CG 3.32Å; Y142-L146 PolarHBondContact O-N 3.33Å; K143-L146 PolarHBondContact O-N 2.65Å; Y144-L146 VanDerWaalsContact C-N 3.29Å; Y144-L146 PolarHBondContact O-N 3.25Å; L146-N148 PolarHBondContact O-N 3.45Å; L146-F149 WeakPolarHBondContact O-CB 3.33Å; L146-F149 PolarHBondContact O-N 3.07Å; L146-F149 VanDerWaalsContact O-N 3.09Å; L146-V269 HydrophobicContact CD2-CB 4.49Å; L146-V269 HydrophobicContact CD2-CG2 4.21Å; L146-V269 HydrophobicContact CG-CG2 4.34Å; L146-R359 HydrophobicContact CB-CG 4.18Å; L146-R359 HydrophobicContact CD2-CG 4.1Å; L146-R359 WeakPolarHBondContact O-CD 3.47Å; L146-C362 HydrophobicContact CD1-CB 4.05Å; L146-C362 HydrophobicContact CD2-CB 3.84Å; L146-L363 HydrophobicContact CB-CD2 3.77Å; L146-L363 HydrophobicContact CB-CG 4.14Å; L146-L363 HydrophobicContact CD1-CD2 3.68Å; L146-L363 HydrophobicContact CD1-CG 3.97Å; L146-L363 HydrophobicContact CG-CD2 4.37Å
147	D	97	Very high	92.2	Very high	74 Å²	74	47.3 Å²	47.3	40%	0.396	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-31.8	-178.3	-71.6	-17.6	0	0	0	112.2	K143 Y144	K143-D147 WeakPolarHBondContact CE-OD2 3.46Å; K143-D147 WeakPolarHBondContact CG-OD2 3.31Å; K143-D147 IonicContact NZ-OD1 3.28Å; K143-D147 PolarHBondContact NZ-OD1 3.46Å; K143-D147 IonicContact NZ-OD2 2.96Å; K143-D147 PolarHBondContact NZ-OD2 3Å; K143-D147 WeakPolarHBondContact O-CB 3.42Å; K143-D147 VanDerWaalsContact O-CG 3.23Å; K143-D147 PolarHBondContact O-N 2.84Å; Y144-D147 PolarHBondContact O-N 3.12Å
148	N	96.9	Very high	92.6	Very high	88 Å²	88	52 Å²	52	47%	0.471	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3	179.3	-64.3	-83.4	0	0	0	113.5	Y144 L146 V150	Y144-N148 WeakPolarHBondContact CE2-ND2 3.27Å; Y144-N148 WeakPolarHBondContact O-CB 3.42Å; Y144-N148 PolarHBondContact O-N 2.64Å; Y144-N148 PolarHBondContact O-ND2 3.04Å; L146-N148 PolarHBondContact O-N 3.45Å; N148-V150 PolarHBondContact O-N 3.45Å
149	F	97.1	Very high	92.6	Very high	25 Å²	25	51.7 Å²	51.7	11%	0.11	27%	0.269	C	S	.	.			trans	-73.8	126.2	177.8	174.4	-105.8	0	0	0	110.8	E145 L146 P151 P244 V269 N270	E145-F149 VanDerWaalsContact O-CB 3.28Å; E145-F149 WeakPolarHBondContact O-CB 3.3Å; E145-F149 PolarHBondContact O-N 3.1Å; E145-F149 VanDerWaalsContact O-N 3.11Å; L146-F149 WeakPolarHBondContact O-CB 3.33Å; L146-F149 PolarHBondContact O-N 3.07Å; L146-F149 VanDerWaalsContact O-N 3.09Å; F149-P151 HydrophobicContact CE1-CB 4.19Å; F149-P151 HydrophobicContact CE1-CG 3.79Å; F149-P151 HydrophobicContact CZ-CB 4.22Å; F149-P151 HydrophobicContact CZ-CG 4.31Å; F149-P244 HydrophobicContact CD2-CB 3.97Å; F149-P244 HydrophobicContact CE2-CB 3.93Å; F149-V269 HydrophobicContact CD2-CG1 4.25Å; F149-V269 HydrophobicContact CG-CG1 4.41Å; F149-N270 HydrophobicContact CE1-CB 3.97Å; F149-N270 HydrophobicContact CE2-CB 3.7Å; F149-N270 HydrophobicContact CZ-CB 3.36Å; F149-N270 WeakPolarHBondContact CZ-OD1 3.31Å
150	V	94.6	Very high	92.8	Very high	112 Å²	112	54.7 Å²	54.7	68%	0.679	29%	0.292	S	S	*	.			trans	-117.3	122.7	170	-178.4	0	0	0	0	107.7	N148	N148-V150 PolarHBondContact O-N 3.45Å
151	P	94.1	Very high	92.8	Very high	7 Å²	7	55.6 Å²	55.6	5%	0.045	30%	0.3	C	S	.	.			trans	-58.2	134.9	177.2	-18.1	27.7	0	0	0	110.9	F149 L155 F156 F355	F149-P151 HydrophobicContact CE1-CB 4.19Å; F149-P151 HydrophobicContact CE1-CG 3.79Å; F149-P151 HydrophobicContact CZ-CB 4.22Å; F149-P151 HydrophobicContact CZ-CG 4.31Å; P151-L155 HydrophobicContact CB-CD1 4.12Å; P151-F156 HydrophobicContact CB-CE2 3.79Å; P151-F156 HydrophobicContact CB-CZ 3.84Å; P151-F156 HydrophobicContact CG-CE2 4.49Å; P151-F156 HydrophobicContact CG-CZ 4.12Å; P151-F355 HydrophobicContact CB-CD1 4.49Å; P151-F355 HydrophobicContact CB-CD2 4.23Å; P151-F355 HydrophobicContact CB-CE2 4.47Å; P151-F355 HydrophobicContact CB-CG 4.24Å; P151-F355 HydrophobicContact CG-CB 3.72Å; P151-F355 HydrophobicContact CG-CD1 4.19Å; P151-F355 HydrophobicContact CG-CD2 4.08Å; P151-F355 HydrophobicContact CG-CG 3.75Å
152	P	93	Very high	92.8	Very high	34 Å²	34	59.4 Å²	59.4	22%	0.221	32%	0.319	C	S	.	.			trans	-58.6	145.1	178.7	-27.6	34.1	0	0	0	113.7	H154 L155	P152-H154 VanDerWaalsContact CB-CE1 3.41Å; P152-H154 WeakPolarHBondContact CB-CE1 3.31Å; P152-H154 WeakPolarHBondContact CB-ND1 3.42Å; P152-H154 PolarHBondContact O-N 3.35Å; P152-H154 VanDerWaalsContact O-N 3.09Å; P152-L155 WeakPolarHBondContact O-CB 3.23Å; P152-L155 PolarHBondContact O-N 2.81Å
153	E	91.8	Very high	92.7	Very high	120 Å²	120	67.1 Å²	67.1	56%	0.561	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-56.7	-32.5	-175.1	-170.6	59.7	-155.6	0	0	113.9	L155 F156 K348	E153-L155 PolarHBondContact O-N 2.79Å; E153-F156 PolarHBondContact O-N 3.45Å; E153-K348 IonicContact OE1-NZ 3.25Å; E153-K348 PolarHBondContact OE1-NZ 2.88Å
154	H	91.7	Very high	92.5	Very high	118 Å²	118	65.1 Å²	65.1	55%	0.546	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.9	178.9	73.7	-96.2	0	0	0	112.6	P152 F156 S157	P152-H154 VanDerWaalsContact CB-CE1 3.41Å; P152-H154 WeakPolarHBondContact CB-CE1 3.31Å; P152-H154 WeakPolarHBondContact CB-ND1 3.42Å; P152-H154 PolarHBondContact O-N 3.35Å; P152-H154 VanDerWaalsContact O-N 3.09Å; H154-F156 PolarHBondContact O-N 2.79Å; H154-S157 WeakPolarHBondContact O-CB 3.23Å; H154-S157 PolarHBondContact O-N 3.45Å
155	L	93.4	Very high	92.2	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.042	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-68.7	-21.5	176.6	-62	-178.7	0	0	0	112.7	P151 P152 E153 R159 V247 L351 F355	P151-L155 HydrophobicContact CB-CD1 4.12Å; P152-L155 WeakPolarHBondContact O-CB 3.23Å; P152-L155 PolarHBondContact O-N 2.81Å; E153-L155 PolarHBondContact O-N 2.79Å; L155-R159 PolarHBondContact O-NH2 3.28Å; L155-V247 HydrophobicContact CD1-CG2 3.81Å; L155-V247 HydrophobicContact CD2-CG2 3.82Å; L155-L351 WeakPolarHBondContact O-CD2 3.31Å; L155-F355 HydrophobicContact CB-CE2 4.47Å; L155-F355 HydrophobicContact CB-CZ 4.47Å; L155-F355 HydrophobicContact CD1-CE1 4.32Å; L155-F355 HydrophobicContact CD1-CE2 4.45Å; L155-F355 HydrophobicContact CD1-CZ 3.83Å
156	F	92.5	Very high	91.6	Very high	12 Å²	12	67.7 Å²	67.7	5%	0.053	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-94.4	5.8	177.6	-57.5	-84.8	0	0	0	113.8	P151 E153 H154 K348 L351 Q352 F355	P151-F156 HydrophobicContact CB-CE2 3.79Å; P151-F156 HydrophobicContact CB-CZ 3.84Å; P151-F156 HydrophobicContact CG-CE2 4.49Å; P151-F156 HydrophobicContact CG-CZ 4.12Å; E153-F156 PolarHBondContact O-N 3.45Å; H154-F156 PolarHBondContact O-N 2.79Å; F156-K348 HydrophobicContact CB-CB 4.43Å; F156-K348 HydrophobicContact CB-CD 3.68Å; F156-K348 HydrophobicContact CB-CG 4.02Å; F156-K348 HydrophobicContact CD1-CB 3.92Å; F156-K348 HydrophobicContact CD1-CG 4.42Å; F156-K348 HydrophobicContact CG-CB 4.49Å; F156-K348 HydrophobicContact CG-CD 4.32Å; F156-K348 WeakPolarHBondContact O-CE 3.27Å; F156-L351 HydrophobicContact CD1-CB 4.11Å; F156-L351 HydrophobicContact CD1-CD2 3.76Å; F156-L351 HydrophobicContact CD1-CG 3.93Å; F156-L351 HydrophobicContact CE1-CB 4.2Å; F156-L351 HydrophobicContact CE1-CD2 4.28Å; F156-L351 HydrophobicContact CE1-CG 3.97Å; F156-L351 HydrophobicContact CG-CD2 4.44Å; F156-Q352 HydrophobicContact CE1-CB 3.94Å; F156-Q352 HydrophobicContact CZ-CB 4.35Å; F156-F355 HydrophobicContact CZ-CD2 4.45Å
157	S	88.2	Confident	91	Very high	59 Å²	59	72.2 Å²	72.2	41%	0.413	39%	0.394	S	S	.	.	S	Bend	trans	-86.9	149.1	172.7	-61.1	0	0	0	0	110.2	H154 R159	H154-S157 WeakPolarHBondContact O-CB 3.23Å; H154-S157 PolarHBondContact O-N 3.45Å; S157-R159 PolarHBondContact O-N 3.07Å
158	S	80.6	Confident	90.5	Very high	103 Å²	103	68.7 Å²	68.7	72%	0.72	38%	0.375	S	S	*	.			trans	-58.6	132.4	171.4	-173.3	0	0	0	0	109.2
159	R	82.3	Confident	90.1	Very high	41 Å²	41	68.9 Å²	68.9	16%	0.155	37%	0.374	C	S	.	.			trans	-121.7	145.2	-172.4	57.8	179.1	87.5	-168.9	8.7	109.9	L155 S157 A161 Y333 D334 S337 M338	L155-R159 PolarHBondContact O-NH2 3.28Å; S157-R159 PolarHBondContact O-N 3.07Å; R159-A161 PolarHBondContact O-N 3.32Å; R159-Y333 PolarHBondContact NH1-OH 3.36Å; R159-Y333 PolarHBondContact NH2-OH 3.25Å; R159-D334 IonicContact NH1-OD1 2.87Å; R159-S337 PolarHBondContact NH2-OG 3.06Å; R159-M338 HydrophobicContact CG-CG 4.13Å
160	V	88	Confident	89.9	Confident	134 Å²	134	73.1 Å²	73.1	81%	0.812	40%	0.397	S	S	*	.			trans	-79.4	115	172.2	-179.8	0	0	0	0	107.7	I162	V160-I162 PolarHBondContact O-N 3.43Å
161	A	92.6	Very high	89.9	Confident	25 Å²	25	68.3 Å²	68.3	21%	0.207	37%	0.368	C	S	.	.			trans	-66.5	122	177.8	0	0	0	0	0	111	R159 K163 Y331 D334 R335 M338	R159-A161 PolarHBondContact O-N 3.32Å; A161-K163 PolarHBondContact O-N 2.98Å; A161-Y331 HydrophobicContact CB-CD2 4.01Å; A161-Y331 HydrophobicContact CB-CE2 3.67Å; A161-D334 HydrophobicContact CB-CB 3.6Å; A161-R335 HydrophobicContact CB-CG 4.47Å; A161-M338 HydrophobicContact CB-CE 3.56Å
162	I	93.3	Very high	90.1	Very high	92 Å²	92	71.6 Å²	71.6	47%	0.472	39%	0.39	S	S	.	.			trans	-88.2	108.6	-179.7	-56.4	173.1	0	0	0	107.3	V160 Y331 D334	V160-I162 PolarHBondContact O-N 3.43Å; I162-Y331 VanDerWaalsContact O-CD2 3.25Å; I162-Y331 WeakPolarHBondContact O-CD2 3.32Å; I162-D334 PolarHBondContact N-OD2 3.29Å; I162-D334 VanDerWaalsContact N-OD2 3.14Å
163	K	93.3	Very high	90.3	Very high	162 Å²	162	72.8 Å²	72.8	70%	0.704	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-62.9	136.5	177	-75.3	-174.1	177.2	-176.5	0	109.9	A161 Y331	A161-K163 PolarHBondContact O-N 2.98Å; K163-Y331 HydrophobicContact CB-CE2 4.46Å; K163-Y331 HydrophobicContact CG-CD2 4.35Å; K163-Y331 HydrophobicContact CG-CE2 3.7Å
164	P	91.6	Very high	90.6	Very high	31 Å²	31	69.5 Å²	69.5	20%	0.201	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-74.8	169.3	173.9	34.9	-30.9	0	0	0	109.1	L166 Y328 Y331	P164-L166 PolarHBondContact O-N 3.36Å; P164-Y328 HydrophobicContact CB-CD1 4.5Å; P164-Y328 HydrophobicContact CG-CD1 3.88Å; P164-Y331 HydrophobicContact CG-CG 4.46Å
165	T	88.9	Confident	90.9	Very high	62 Å²	62	67.6 Å²	67.6	38%	0.38	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-59.7	136.2	161.9	-39	0	0	0	0	108.4	D170 T171 H327	T165-D170 HydrophobicContact CG2-CB 3.58Å; T165-T171 VanDerWaalsContact CB-OG1 3.3Å; T165-T171 WeakPolarHBondContact CB-OG1 3.37Å; T165-T171 PolarHBondContact OG1-OG1 3.16Å; T165-H327 PolarHBondContact O-NE2 2.97Å
166	L	84.8	Confident	91.2	Very high	112 Å²	112	67.4 Å²	67.4	59%	0.586	37%	0.374	S	S	*	.	S	Bend	trans	-70.8	-36.3	-174	-76.4	172.6	0	0	0	112.5	P164 Y328	P164-L166 PolarHBondContact O-N 3.36Å; L166-Y328 PolarHBondContact O-OH 3.46Å
167	L	85.8	Confident	91.4	Very high	97 Å²	97	69.4 Å²	69.4	51%	0.508	39%	0.389	S	S	.	.	S	Bend	trans	-100.8	125.6	173	-62.5	178.5	0	0	0	107.9	E169 D170	L167-E169 PolarHBondContact O-N 3.36Å; L167-D170 PolarHBondContact O-N 3.17Å
168	S	85.6	Confident	91.9	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-62.3	-33.1	178.9	63.9	0	0	0	0	110.4	D170 T171 R323	S168-D170 PolarHBondContact O-N 3.27Å; S168-D170 VanDerWaalsContact O-N 3.16Å; S168-T171 WeakPolarHBondContact O-CB 3.47Å; S168-T171 PolarHBondContact O-N 3.39Å; S168-R323 PolarHBondContact O-NE 2.79Å; S168-R323 PolarHBondContact O-NH1 3.19Å; S168-R323 PolarHBondContact O-NH2 2.66Å
169	E	88.3	Confident	92.8	Very high	92 Å²	92	66.8 Å²	66.8	43%	0.43	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-59.2	-26.8	179.4	-60.1	92.5	158.8	0	0	114.7	L167 T171 K320	L167-E169 PolarHBondContact O-N 3.36Å; E169-T171 PolarHBondContact O-N 3.13Å; E169-K320 WeakPolarHBondContact OE1-CD 3.12Å; E169-K320 WeakPolarHBondContact OE1-CE 3.24Å; E169-K320 IonicContact OE1-NZ 2.74Å; E169-K320 PolarHBondContact OE1-NZ 2.69Å
170	D	92.7	Very high	93.5	Very high	114 Å²	114	70.2 Å²	70.2	61%	0.61	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-79.1	-8.1	179	-67.9	-24.8	0	0	0	112.6	T165 L167 S168	T165-D170 HydrophobicContact CG2-CB 3.58Å; L167-D170 PolarHBondContact O-N 3.17Å; S168-D170 PolarHBondContact O-N 3.27Å; S168-D170 VanDerWaalsContact O-N 3.16Å
171	T	95.7	Very high	94.1	Very high	11 Å²	11	67 Å²	67	7%	0.067	36%	0.36	C	S	.	.	S	Bend	trans	-94.6	145.2	177.8	-56.7	0	0	0	0	109.3	T165 S168 E169 L173 K220 R323 H327	T165-T171 VanDerWaalsContact CB-OG1 3.3Å; T165-T171 WeakPolarHBondContact CB-OG1 3.37Å; T165-T171 PolarHBondContact OG1-OG1 3.16Å; S168-T171 WeakPolarHBondContact O-CB 3.47Å; S168-T171 PolarHBondContact O-N 3.39Å; E169-T171 PolarHBondContact O-N 3.13Å; T171-L173 PolarHBondContact O-N 3.16Å; T171-K220 VanDerWaalsContact CG2-O 3.28Å; T171-K220 WeakPolarHBondContact CG2-O 3.48Å; T171-R323 VanDerWaalsContact CB-NH2 3.34Å; T171-R323 VanDerWaalsContact O-CZ 3.29Å; T171-R323 PolarHBondContact O-NH1 3.17Å; T171-R323 VanDerWaalsContact O-NH1 3.14Å; T171-R323 PolarHBondContact O-NH2 3Å; T171-H327 PolarHBondContact OG1-CE1 3.44Å
172	P	97.4	Very high	94.3	Very high	76 Å²	76	65.8 Å²	65.8	49%	0.494	35%	0.35	S	S	.	.			trans	-59.4	132.6	171.8	-23.8	34.1	0	0	0	111.7	E221 D222 R323	P172-E221 HydrophobicContact CB-CG 4.29Å; P172-E221 HydrophobicContact CG-CG 4.48Å; P172-D222 PolarHBondContact O-N 3.46Å; P172-R323 VanDerWaalsContact C-NH2 3.33Å; P172-R323 PolarHBondContact O-NH2 2.93Å
173	L	98	Very high	94.6	Very high	59 Å²	59	66 Å²	66	31%	0.309	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.8	173.8	174.3	64.7	0	0	0	109.5	T171 M175 D222 I224 I319	T171-L173 PolarHBondContact O-N 3.16Å; L173-M175 HydrophobicContact CD2-SD 4.39Å; L173-D222 WeakPolarHBondContact CA-O 3.43Å; L173-D222 HydrophobicContact CD1-CB 4.12Å; L173-I224 HydrophobicContact CD1-CD1 3.99Å; L173-I224 HydrophobicContact CD1-CG1 4.01Å; L173-I224 HydrophobicContact CD2-CD1 4.41Å; L173-I319 HydrophobicContact CD2-CG2 3.52Å
174	T	98.4	Very high	94.8	Very high	52 Å²	52	62.2 Å²	62.2	32%	0.319	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.4	174.1	-55.3	0	0	0	0	110.5	I176 D222 Y223 I224	T174-I176 HydrophobicContact CG2-CD1 3.64Å; T174-I176 HydrophobicContact CG2-CG1 4.47Å; T174-D222 PolarHBondContact N-O 3.34Å; T174-Y223 HydrophobicContact CG2-CD1 4.29Å; T174-Y223 HydrophobicContact CG2-CE1 4.44Å; T174-Y223 WeakPolarHBondContact O-CA 3.23Å; T174-I224 PolarHBondContact O-N 3.36Å
175	M	98.3	Very high	95.2	Very high	77 Å²	77	61 Å²	61	38%	0.379	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.7	171	-59.5	-62.8	-63.1	0	0	109	L173 I224 L314	L173-M175 HydrophobicContact CD2-SD 4.39Å; M175-I224 CarbonylContact C-O 3.29Å; M175-I224 WeakPolarHBondContact CA-O 3.46Å; M175-I224 HydrophobicContact CE-CB 4.05Å; M175-I224 HydrophobicContact CE-CG2 3.62Å; M175-I224 HydrophobicContact SD-CB 3.76Å; M175-I224 HydrophobicContact SD-CD1 4.27Å; M175-I224 HydrophobicContact SD-CG2 4.03Å; M175-L314 HydrophobicContact CE-CD1 4.39Å
176	I	98.7	Very high	95.7	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.9	-177.7	-54.5	-67.9	0	0	0	108.5	T174 E181 L182 L185 Y223 I224 I225 D226 L230	T174-I176 HydrophobicContact CG2-CD1 3.64Å; T174-I176 HydrophobicContact CG2-CG1 4.47Å; I176-E181 HydrophobicContact CD1-CB 3.8Å; I176-E181 HydrophobicContact CG2-CB 3.9Å; I176-L182 HydrophobicContact CG2-CB 4.14Å; I176-L182 HydrophobicContact CG2-CD1 4.35Å; I176-L185 HydrophobicContact CG1-CD2 4.2Å; I176-Y223 HydrophobicContact CD1-CD1 4.27Å; I176-Y223 HydrophobicContact CG1-CD1 4.33Å; I176-I224 PolarHBondContact N-O 3.18Å; I176-I225 HydrophobicContact CB-CB 4.32Å; I176-I225 HydrophobicContact CB-CG1 3.95Å; I176-I225 HydrophobicContact CB-CG2 4.33Å; I176-I225 HydrophobicContact CG1-CG1 4.19Å; I176-I225 HydrophobicContact CG2-CG1 4.33Å; I176-I225 HydrophobicContact CG2-CG2 4.22Å; I176-I225 WeakPolarHBondContact O-CA 3.49Å; I176-D226 PolarHBondContact O-N 3.06Å; I176-L230 HydrophobicContact CG2-CD1 4.02Å
177	S	97.6	Very high	96.3	Very high	53 Å²	53	58.7 Å²	58.7	37%	0.371	31%	0.309	S	S	.	.			trans	-140.4	-3.8	-178.9	65.3	0	0	0	0	114	E181 P229	S177-E181 PolarHBondContact N-OE2 3.37Å; S177-P229 WeakPolarHBondContact O-CB 3.49Å; S177-P229 VanDerWaalsContact O-CG 3.27Å; S177-P229 WeakPolarHBondContact O-CG 3.47Å
178	T	98.4	Very high	96.9	Very high	65 Å²	65	56.9 Å²	56.9	40%	0.399	30%	0.298	S	S	.	.	S	Bend	trans	-117.3	155.2	176.1	71.3	0	0	0	0	112.1	E180 E181 L182	T178-E180 PolarHBondContact O-N 2.84Å; T178-E181 PolarHBondContact N-OE2 2.81Å; T178-E181 PolarHBondContact O-N 3.01Å; T178-E181 WeakPolarHBondContact OG1-CB 3.29Å; T178-E181 WeakPolarHBondContact OG1-CG 3.28Å; T178-E181 PolarHBondContact OG1-N 2.94Å; T178-E181 PolarHBondContact OG1-OE2 2.87Å; T178-L182 PolarHBondContact O-N 2.86Å
179	V	98.3	Very high	97.5	Very high	43 Å²	43	56.9 Å²	56.9	26%	0.261	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-32.9	-177.6	-178.8	0	0	0	0	111.4	L182 K183 L230 H233 L236	V179-L182 PolarHBondContact O-N 3.21Å; V179-K183 WeakPolarHBondContact O-CG 3.32Å; V179-K183 PolarHBondContact O-N 2.88Å; V179-L230 HydrophobicContact CG2-CD2 4.03Å; V179-H233 HydrophobicContact CG1-CB 4.38Å; V179-H233 HydrophobicContact CG2-CB 4.13Å; V179-H233 WeakPolarHBondContact CG2-CD2 3.45Å; V179-L236 HydrophobicContact CG1-CD1 4.49Å
180	E	98.6	Very high	98	Very high	112 Å²	112	54.6 Å²	54.6	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-69.9	-44.8	178.6	-168	63.6	-173.6	0	0	111.7	T178 L182 K183 N184	T178-E180 PolarHBondContact O-N 2.84Å; E180-L182 VanDerWaalsContact C-N 3.26Å; E180-L182 PolarHBondContact O-N 3.07Å; E180-K183 PolarHBondContact O-N 3.42Å; E180-N184 VanDerWaalsContact O-CG 3.29Å; E180-N184 PolarHBondContact O-N 3.44Å; E180-N184 PolarHBondContact O-ND2 3.38Å
181	E	98.7	Very high	98.3	Very high	66 Å²	66	59.8 Å²	59.8	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-57.8	-40.9	172	-71	162.7	167.7	0	0	111.4	I176 S177 T178 N184 L185	I176-E181 HydrophobicContact CD1-CB 3.8Å; I176-E181 HydrophobicContact CG2-CB 3.9Å; S177-E181 PolarHBondContact N-OE2 3.37Å; T178-E181 PolarHBondContact N-OE2 2.81Å; T178-E181 PolarHBondContact O-N 3.01Å; T178-E181 WeakPolarHBondContact OG1-CB 3.29Å; T178-E181 WeakPolarHBondContact OG1-CG 3.28Å; T178-E181 PolarHBondContact OG1-N 2.94Å; T178-E181 PolarHBondContact OG1-OE2 2.87Å; E181-N184 PolarHBondContact O-N 2.69Å; E181-L185 WeakPolarHBondContact O-CB 3.03Å; E181-L185 PolarHBondContact O-N 2.83Å
182	L	98.8	Very high	98.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-40.6	177.5	-174.8	65.5	0	0	0	112.3	I176 T178 V179 E180 L185 C186 I225 L230 H233 M234 L236 L237	I176-L182 HydrophobicContact CG2-CB 4.14Å; I176-L182 HydrophobicContact CG2-CD1 4.35Å; T178-L182 PolarHBondContact O-N 2.86Å; V179-L182 PolarHBondContact O-N 3.21Å; E180-L182 VanDerWaalsContact C-N 3.26Å; E180-L182 PolarHBondContact O-N 3.07Å; L182-L185 PolarHBondContact O-N 2.72Å; L182-C186 PolarHBondContact O-N 2.85Å; L182-C186 PolarHBondContact O-SG 3.49Å; L182-I225 HydrophobicContact CD1-CG2 4.48Å; L182-L230 HydrophobicContact CB-CD1 4.4Å; L182-L230 HydrophobicContact CD2-CD1 4.45Å; L182-H233 HydrophobicContact CD2-CB 4.19Å; L182-H233 WeakPolarHBondContact CD2-O 3.48Å; L182-M234 HydrophobicContact CD2-SD 4.41Å; L182-L236 HydrophobicContact CD2-CD1 4.38Å; L182-L237 HydrophobicContact CD1-CD1 4.18Å; L182-L237 HydrophobicContact CD1-CD2 4.02Å; L182-L237 HydrophobicContact CD1-CG 4.01Å
183	K	98.5	Very high	98.4	Very high	98 Å²	98	61 Å²	61	43%	0.426	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-45.8	175.5	-73.4	173.6	-179	175.2	0	111.9	V179 E180 L185 C186 E187 L236	V179-K183 WeakPolarHBondContact O-CG 3.32Å; V179-K183 PolarHBondContact O-N 2.88Å; E180-K183 PolarHBondContact O-N 3.42Å; K183-L185 PolarHBondContact O-N 2.91Å; K183-C186 WeakPolarHBondContact O-CB 3.24Å; K183-C186 PolarHBondContact O-N 3.03Å; K183-E187 PolarHBondContact O-N 3.42Å; K183-L236 HydrophobicContact CG-CD1 4.09Å
184	N	98.6	Very high	98.4	Very high	82 Å²	82	59.2 Å²	59.2	44%	0.439	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-39	176.6	-67.9	-20.2	0	0	0	111.1	E180 E181 E187 H188	E180-N184 VanDerWaalsContact O-CG 3.29Å; E180-N184 PolarHBondContact O-N 3.44Å; E180-N184 PolarHBondContact O-ND2 3.38Å; E181-N184 PolarHBondContact O-N 2.69Å; N184-E187 PolarHBondContact O-N 3.05Å; N184-H188 WeakPolarHBondContact O-CB 2.91Å; N184-H188 PolarHBondContact O-N 2.84Å
185	L	98.7	Very high	98.4	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-47.4	172.4	178.7	60	0	0	0	111.6	I176 E181 L182 K183 E187 H188 L189 I216 Y223 I225	I176-L185 HydrophobicContact CG1-CD2 4.2Å; E181-L185 WeakPolarHBondContact O-CB 3.03Å; E181-L185 PolarHBondContact O-N 2.83Å; L182-L185 PolarHBondContact O-N 2.72Å; K183-L185 PolarHBondContact O-N 2.91Å; L185-E187 VanDerWaalsContact C-N 3.32Å; L185-E187 PolarHBondContact O-N 3.36Å; L185-H188 PolarHBondContact O-N 3.25Å; L185-L189 HydrophobicContact CD1-CD1 4.01Å; L185-L189 HydrophobicContact CD1-CD2 4.09Å; L185-L189 HydrophobicContact CD1-CG 3.78Å; L185-L189 HydrophobicContact CG-CD1 3.91Å; L185-L189 HydrophobicContact CG-CG 4.12Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 VanDerWaalsContact O-CG 3.28Å; L185-L189 WeakPolarHBondContact O-CG 3.39Å; L185-L189 PolarHBondContact O-N 3.42Å; L185-I216 HydrophobicContact CD2-CD1 4.37Å; L185-Y223 HydrophobicContact CD1-CD1 3.66Å; L185-Y223 HydrophobicContact CD1-CD2 3.8Å; L185-Y223 HydrophobicContact CD1-CE1 3.74Å; L185-Y223 HydrophobicContact CD1-CE2 3.84Å; L185-Y223 HydrophobicContact CD1-CG 3.71Å; L185-Y223 HydrophobicContact CD2-CD1 4.44Å; L185-Y223 HydrophobicContact CD2-CG 4.35Å; L185-I225 HydrophobicContact CD2-CD1 3.71Å; L185-I225 HydrophobicContact CD2-CG1 4.06Å
186	C	98.7	Very high	98.4	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-55.7	-46.3	176.4	-72.4	0	0	0	0	112.2	L182 K183 H188 L189 N190	L182-C186 PolarHBondContact O-N 2.85Å; L182-C186 PolarHBondContact O-SG 3.49Å; K183-C186 WeakPolarHBondContact O-CB 3.24Å; K183-C186 PolarHBondContact O-N 3.03Å; C186-H188 PolarHBondContact O-N 3.21Å; C186-L189 PolarHBondContact O-N 3.23Å; C186-N190 PolarHBondContact O-N 3.2Å; C186-N190 PolarHBondContact O-ND2 2.6Å
187	E	98.4	Very high	98.4	Very high	123 Å²	123	52.9 Å²	52.9	58%	0.575	26%	0.262	S	S	*	.	H	α-helix	trans	-58.8	-47.5	176.1	-70.2	-177.4	-178.8	0	0	111.2	K183 N184 L185 L189 N190	K183-E187 PolarHBondContact O-N 3.42Å; N184-E187 PolarHBondContact O-N 3.05Å; L185-E187 VanDerWaalsContact C-N 3.32Å; L185-E187 PolarHBondContact O-N 3.36Å; E187-L189 PolarHBondContact O-N 2.99Å; E187-N190 PolarHBondContact O-N 2.96Å
188	H	98.6	Very high	98.5	Very high	59 Å²	59	51.4 Å²	51.4	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-43.1	178.3	-176.7	73.4	0	0	0	112.7	N184 L185 C186 N190 W191 Q192 Y223	N184-H188 WeakPolarHBondContact O-CB 2.91Å; N184-H188 PolarHBondContact O-N 2.84Å; L185-H188 PolarHBondContact O-N 3.25Å; C186-H188 PolarHBondContact O-N 3.21Å; H188-N190 VanDerWaalsContact C-N 3.32Å; H188-N190 PolarHBondContact O-N 2.72Å; H188-W191 PolarHBondContact O-N 3.34Å; H188-Q192 PolarHBondContact CE1-NE2 2.88Å; H188-Q192 PolarHBondContact NE2-NE2 2.96Å; H188-Q192 PolarHBondContact O-NE2 2.76Å; H188-Y223 PolarHBondContact CD2-OH 3.19Å; H188-Y223 VanDerWaalsContact CD2-OH 3.28Å; H188-Y223 PolarHBondContact NE2-OH 2.9Å
189	L	98.8	Very high	98.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-33.5	179.3	-67.9	-179.4	0	0	0	112.3	L185 C186 E187 W191 Q192 F195 I216 T218 L237 P240	L185-L189 HydrophobicContact CD1-CD1 4.01Å; L185-L189 HydrophobicContact CD1-CD2 4.09Å; L185-L189 HydrophobicContact CD1-CG 3.78Å; L185-L189 HydrophobicContact CG-CD1 3.91Å; L185-L189 HydrophobicContact CG-CG 4.12Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 VanDerWaalsContact O-CG 3.28Å; L185-L189 WeakPolarHBondContact O-CG 3.39Å; L185-L189 PolarHBondContact O-N 3.42Å; C186-L189 PolarHBondContact O-N 3.23Å; E187-L189 PolarHBondContact O-N 2.99Å; L189-W191 PolarHBondContact O-N 3.03Å; L189-Q192 WeakPolarHBondContact O-CB 3.35Å; L189-Q192 PolarHBondContact O-N 3.31Å; L189-F195 HydrophobicContact CB-CD1 4.37Å; L189-F195 HydrophobicContact CB-CE1 4.26Å; L189-F195 HydrophobicContact CD1-CE2 4.4Å; L189-F195 HydrophobicContact CD1-CZ 4.35Å; L189-F195 HydrophobicContact CD2-CB 4.07Å; L189-F195 HydrophobicContact CD2-CD1 4.06Å; L189-F195 HydrophobicContact CD2-CD2 4.46Å; L189-F195 HydrophobicContact CD2-CG 3.97Å; L189-I216 HydrophobicContact CD1-CD1 3.88Å; L189-I216 HydrophobicContact CD1-CG2 4.24Å; L189-I216 HydrophobicContact CD2-CG2 3.85Å; L189-T218 HydrophobicContact CD2-CG2 3.83Å; L189-L237 HydrophobicContact CD1-CD2 4.49Å; L189-P240 HydrophobicContact CB-CB 3.78Å; L189-P240 HydrophobicContact CB-CG 4.1Å; L189-P240 HydrophobicContact CD1-CG 4.21Å
190	N	98.4	Very high	98.4	Very high	43 Å²	43	47.4 Å²	47.4	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-17.5	176.5	-82	-48	0	0	0	114	C186 E187 H188 E239	C186-N190 PolarHBondContact O-N 3.2Å; C186-N190 PolarHBondContact O-ND2 2.6Å; E187-N190 PolarHBondContact O-N 2.96Å; H188-N190 VanDerWaalsContact C-N 3.32Å; H188-N190 PolarHBondContact O-N 2.72Å; N190-E239 VanDerWaalsContact ND2-CD 3.29Å; N190-E239 WeakPolarHBondContact ND2-CG 3.41Å; N190-E239 PolarHBondContact ND2-OE2 3.14Å
191	W	97.9	Very high	98.2	Very high	223 Å²	223	43.4 Å²	43.4	85%	0.845	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.4	172.8	-72.3	105.1	0	0	0	113.9	H188 L189	H188-W191 PolarHBondContact O-N 3.34Å; L189-W191 PolarHBondContact O-N 3.03Å
192	Q	98.2	Very high	97.9	Very high	43 Å²	43	40.8 Å²	40.8	20%	0.201	20%	0.198	C	C	.	.			trans	-86.7	148.5	177.3	-51.7	-54.1	-57.1	0	0	110.8	H188 L189 T218 I246	H188-Q192 PolarHBondContact CE1-NE2 2.88Å; H188-Q192 PolarHBondContact NE2-NE2 2.96Å; H188-Q192 PolarHBondContact O-NE2 2.76Å; L189-Q192 WeakPolarHBondContact O-CB 3.35Å; L189-Q192 PolarHBondContact O-N 3.31Å; Q192-T218 HydrophobicContact CG-CG2 3.9Å; Q192-I246 WeakPolarHBondContact O-CG1 3.48Å
193	S	97	Very high	97.6	Very high	71 Å²	71	45 Å²	45	50%	0.497	23%	0.228	S	C	.	.	S	Bend	trans	-79.2	-27.5	167.5	50.3	0	0	0	0	112.1	I246 V247	S193-I246 WeakPolarHBondContact O-CA 3.26Å; S193-V247 PolarHBondContact O-N 3.37Å
194	E	98.4	Very high	97.2	Very high	21 Å²	21	45.5 Å²	45.5	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	155.3	175.7	66.1	-81.5	174.8	0	0	112.3	R219 V247 L330 Y333	E194-R219 IonicContact OE1-CZ 3.17Å; E194-R219 IonicContact OE1-NE 2.82Å; E194-R219 PolarHBondContact OE1-NE 2.73Å; E194-R219 IonicContact OE1-NH2 3.75Å; E194-R219 PolarHBondContact OE1-NH2 3.01Å; E194-V247 CarbonylContact C-O 3.49Å; E194-V247 WeakPolarHBondContact CA-O 3.32Å; E194-V247 HydrophobicContact CB-CB 3.88Å; E194-V247 WeakPolarHBondContact CB-O 3.42Å; E194-L330 HydrophobicContact CB-CD2 4.35Å; E194-L330 HydrophobicContact CG-CD1 4.39Å; E194-L330 HydrophobicContact CG-CD2 3.83Å; E194-Y333 HydrophobicContact CG-CE1 4.35Å
195	F	98.9	Very high	96.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.8	169	59.3	-94	0	0	0	110.8	L189 V197 I216 S217 P240 F241 I246 V247 K248 V249	L189-F195 HydrophobicContact CB-CD1 4.37Å; L189-F195 HydrophobicContact CB-CE1 4.26Å; L189-F195 HydrophobicContact CD1-CE2 4.4Å; L189-F195 HydrophobicContact CD1-CZ 4.35Å; L189-F195 HydrophobicContact CD2-CB 4.07Å; L189-F195 HydrophobicContact CD2-CD1 4.06Å; L189-F195 HydrophobicContact CD2-CD2 4.46Å; L189-F195 HydrophobicContact CD2-CG 3.97Å; F195-V197 HydrophobicContact CD2-CG2 3.54Å; F195-V197 HydrophobicContact CE2-CG2 3.47Å; F195-V197 VanDerWaalsContact CE2-CG2 3.47Å; F195-I216 HydrophobicContact CB-CG2 4.23Å; F195-I216 HydrophobicContact CD2-CG2 3.88Å; F195-I216 HydrophobicContact CG-CG2 4.35Å; F195-S217 CarbonylContact C-O 3.6Å; F195-S217 WeakPolarHBondContact CA-O 3.4Å; F195-S217 WeakPolarHBondContact CB-O 3.28Å; F195-P240 HydrophobicContact CE1-CB 4.02Å; F195-P240 HydrophobicContact CZ-CB 4.11Å; F195-F241 AromaticContact CE2-CD2 3.81Å; F195-F241 HydrophobicContact CE2-CD2 3.81Å; F195-F241 AromaticContact CE2-CE2 3.43Å; F195-F241 HydrophobicContact CE2-CE2 3.43Å; F195-F241 VanDerWaalsContact CE2-CE2 3.43Å; F195-F241 HydrophobicContact CE2-CZ 4.03Å; F195-F241 AromaticContact CZ-CD2 3.61Å; F195-F241 HydrophobicContact CZ-CD2 3.61Å; F195-F241 AromaticContact CZ-CE2 3.71Å; F195-F241 HydrophobicContact CZ-CE2 3.71Å; F195-F241 HydrophobicContact CZ-CG 4.48Å; F195-I246 HydrophobicContact CD1-CG2 3.63Å; F195-I246 HydrophobicContact CE1-CG2 3.57Å; F195-V247 PolarHBondContact N-O 2.85Å; F195-K248 HydrophobicContact CD2-CG 4.28Å; F195-K248 HydrophobicContact CE1-CD 3.66Å; F195-K248 HydrophobicContact CE1-CG 4.09Å; F195-K248 HydrophobicContact CE2-CD 4.05Å; F195-K248 HydrophobicContact CE2-CG 3.52Å; F195-K248 HydrophobicContact CZ-CD 3.39Å; F195-K248 HydrophobicContact CZ-CG 3.41Å; F195-K248 VanDerWaalsContact CZ-CG 3.41Å; F195-K248 WeakPolarHBondContact O-CA 3.2Å; F195-V249 PolarHBondContact O-N 2.74Å
196	A	98.9	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	148.8	176.8	0	0	0	0	0	110.4	I216 S217 V249 T326 L329 L330	A196-I216 VanDerWaalsContact O-CA 3.23Å; A196-I216 WeakPolarHBondContact O-CA 3.22Å; A196-S217 PolarHBondContact N-O 3.4Å; A196-S217 PolarHBondContact O-N 3.29Å; A196-S217 VanDerWaalsContact O-N 3.07Å; A196-V249 CarbonylContact C-O 3.54Å; A196-V249 WeakPolarHBondContact CA-O 3.28Å; A196-T326 HydrophobicContact CB-CG2 4.26Å; A196-L329 HydrophobicContact CB-CB 3.83Å; A196-L329 HydrophobicContact CB-CD2 3.94Å; A196-L329 HydrophobicContact CB-CG 4.27Å; A196-L330 HydrophobicContact CB-CD2 4.01Å; A196-L330 HydrophobicContact CB-CG 3.99Å
197	V	98.9	Very high	96.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.3	179.1	-172.8	0	0	0	0	110.1	F195 M214 Q215 I216 F241 V249 F250 T326	F195-V197 HydrophobicContact CD2-CG2 3.54Å; F195-V197 HydrophobicContact CE2-CG2 3.47Å; F195-V197 VanDerWaalsContact CE2-CG2 3.47Å; V197-M214 HydrophobicContact CG1-CG 4.36Å; V197-Q215 VanDerWaalsContact CA-O 3.31Å; V197-Q215 WeakPolarHBondContact CA-O 3.36Å; V197-I216 HydrophobicContact CG2-CG1 4.39Å; V197-F241 HydrophobicContact CB-CZ 4.5Å; V197-F241 HydrophobicContact CG1-CE1 4.06Å; V197-F241 HydrophobicContact CG1-CZ 3.89Å; V197-F241 HydrophobicContact CG2-CE1 4.21Å; V197-F241 HydrophobicContact CG2-CE2 4.37Å; V197-F241 HydrophobicContact CG2-CZ 3.74Å; V197-V249 PolarHBondContact N-O 3.12Å; V197-F250 HydrophobicContact CB-CD1 4.16Å; V197-F250 HydrophobicContact CB-CD2 4.21Å; V197-F250 HydrophobicContact CB-CE1 3.61Å; V197-F250 HydrophobicContact CB-CE2 3.68Å; V197-F250 HydrophobicContact CB-CG 4.45Å; V197-F250 HydrophobicContact CB-CZ 3.36Å; V197-F250 HydrophobicContact CG1-CD1 4.45Å; V197-F250 HydrophobicContact CG1-CE1 3.53Å; V197-F250 HydrophobicContact CG1-CE2 4.21Å; V197-F250 HydrophobicContact CG1-CZ 3.39Å; V197-F250 HydrophobicContact CG2-CE2 4Å; V197-F250 HydrophobicContact CG2-CZ 4.01Å; V197-F250 WeakPolarHBondContact O-CD1 3.38Å; V197-T326 VanDerWaalsContact C-CG2 3.47Å
198	D	98.5	Very high	96.2	Very high	22 Å²	22	42 Å²	42	12%	0.118	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	165.3	168.5	-168.9	52.6	0	0	0	110	Q215 D325 T326	D198-Q215 HydrophobicContact CB-CB 4.43Å; D198-Q215 PolarHBondContact N-O 3.1Å; D198-Q215 PolarHBondContact O-N 3.02Å; D198-Q215 PolarHBondContact O-OE1 3.19Å; D198-D325 HydrophobicContact CB-CB 4.24Å; D198-D325 WeakPolarHBondContact OD2-CB 3.29Å; D198-T326 HydrophobicContact CB-CG2 3.55Å
199	L	98.3	Very high	96	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.2	178.2	-56.9	176	0	0	0	112	T211 L213 M214 D256 W259 L260	L199-T211 HydrophobicContact CB-CG2 4.21Å; L199-T211 HydrophobicContact CD1-CG2 4.27Å; L199-T211 HydrophobicContact CD2-CG2 4.03Å; L199-T211 HydrophobicContact CG-CG2 4.43Å; L199-L213 WeakPolarHBondContact CA-O 3.41Å; L199-M214 HydrophobicContact CD2-CB 3.52Å; L199-M214 HydrophobicContact CD2-CE 3.68Å; L199-M214 HydrophobicContact CD2-CG 3.57Å; L199-M214 HydrophobicContact CD2-SD 4.45Å; L199-D256 WeakPolarHBondContact CB-OD1 3.41Å; L199-D256 HydrophobicContact CD1-CB 3.81Å; L199-D256 HydrophobicContact CG-CB 4.33Å; L199-W259 HydrophobicContact CB-CE3 4.11Å; L199-W259 HydrophobicContact CB-CZ3 4.39Å; L199-W259 HydrophobicContact CD1-CB 4.19Å; L199-W259 HydrophobicContact CD1-CE3 4.17Å; L199-L260 HydrophobicContact CD1-CD2 3.9Å; L199-L260 HydrophobicContact CD1-CG 3.88Å; L199-L260 HydrophobicContact CD2-CD2 4.21Å
200	E	97	Very high	95.8	Very high	18 Å²	18	39.5 Å²	39.5	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.2	166.2	-66.5	-66.7	176.6	0	0	110.9	C212 L213 W309 Y321	E200-C212 PolarHBondContact O-N 3.23Å; E200-L213 HydrophobicContact CB-CB 3.83Å; E200-L213 HydrophobicContact CG-CB 4.24Å; E200-L213 PolarHBondContact N-O 3.19Å; E200-L213 PolarHBondContact O-N 3.2Å; E200-W309 HydrophobicContact CB-CB 4.15Å; E200-W309 HydrophobicContact CB-CD2 3.76Å; E200-W309 HydrophobicContact CB-CE3 4.23Å; E200-W309 HydrophobicContact CB-CG 3.69Å; E200-W309 VanDerWaalsContact CD-CZ2 3.43Å; E200-W309 VanDerWaalsContact CD-NE1 3.33Å; E200-W309 HydrophobicContact CG-CD2 3.69Å; E200-W309 HydrophobicContact CG-CE3 3.98Å; E200-W309 HydrophobicContact CG-CG 4.15Å; E200-W309 HydrophobicContact CG-CH2 4.12Å; E200-W309 HydrophobicContact CG-CZ2 3.83Å; E200-W309 HydrophobicContact CG-CZ3 4.17Å; E200-W309 WeakPolarHBondContact OE1-CZ2 3.15Å; E200-W309 VanDerWaalsContact OE2-CE2 3.3Å; E200-W309 PolarHBondContact OE2-NE1 3.35Å; E200-Y321 WeakPolarHBondContact OE1-CE1 3.41Å
201	A	94.5	Very high	95.7	Very high	29 Å²	29	37.5 Å²	37.5	24%	0.24	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.3	-178.9	0	0	0	0	0	112.9	L210 W259	A201-L210 CarbonylContact C-O 3.58Å; A201-L210 VanDerWaalsContact CA-O 3.29Å; A201-L210 WeakPolarHBondContact CA-O 3.43Å; A201-W259 HydrophobicContact CB-CD2 3.89Å; A201-W259 HydrophobicContact CB-CE3 3.7Å; A201-W259 HydrophobicContact CB-CH2 3.64Å; A201-W259 HydrophobicContact CB-CZ2 3.83Å; A201-W259 HydrophobicContact CB-CZ3 3.58Å
202	N	92.4	Very high	95.7	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.053	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.9	171.5	-173.5	-53.3	0	0	0	109.9	E204 R205 G209 L210 D308 R310	N202-E204 PolarHBondContact OD1-N 3.41Å; N202-R205 PolarHBondContact OD1-N 3.07Å; N202-G209 CarbonylContact O-C 3.58Å; N202-G209 WeakPolarHBondContact O-CA 3.48Å; N202-L210 PolarHBondContact N-O 2.85Å; N202-L210 PolarHBondContact O-N 2.82Å; N202-D308 PolarHBondContact ND2-OD1 2.93Å; N202-R310 HydrophobicContact CB-CG 4.1Å; N202-R310 PolarHBondContact ND2-NE 2.81Å
203	S	91.6	Very high	95.7	Very high	90 Å²	90	24.9 Å²	24.9	63%	0.629	14%	0.138	S	C	*	.			trans	-109.9	-4.6	176.4	60.2	0	0	0	0	114	S412	S203-S412 VanDerWaalsContact O-CB 3.24Å; S203-S412 WeakPolarHBondContact O-CB 3.37Å
204	E	90.3	Very high	95.8	Very high	107 Å²	107	21.5 Å²	21.5	50%	0.5	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-36.4	-177.9	-171.1	-179.2	171.2	0	0	111.5	N202 S412	N202-E204 PolarHBondContact OD1-N 3.41Å; E204-S412 WeakPolarHBondContact O-CB 3.17Å; E204-S412 PolarHBondContact O-OG 2.67Å
205	R	93.2	Very high	95.8	Very high	44 Å²	44	20.5 Å²	20.5	17%	0.166	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	34.2	-172.7	-59	-58.3	-53.1	-80.2	-4	113.2	Q95 N202 E411 Y415	Q95-R205 PolarHBondContact NE2-O 3.39Å; N202-R205 PolarHBondContact OD1-N 3.07Å; R205-E411 WeakPolarHBondContact CA-OE2 3.5Å; R205-E411 IonicContact CZ-OE1 3.38Å; R205-E411 IonicContact CZ-OE2 3.67Å; R205-E411 IonicContact NE-OE1 3.63Å; R205-E411 IonicContact NE-OE2 3.77Å; R205-E411 PolarHBondContact NE-OE2 2.85Å; R205-E411 IonicContact NH2-OE1 3.52Å; R205-E411 PolarHBondContact NH2-OE1 2.98Å; R205-E411 IonicContact NH2-OE2 2.8Å; R205-Y415 PolarHBondContact NH2-OH 2.66Å
206	S	94.2	Very high	95.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-151.1	145.9	173.3	168.5	0	0	0	0	108.3	G209 D410 S412	S206-G209 WeakPolarHBondContact OG-CA 3.49Å; S206-G209 PolarHBondContact OG-N 3.06Å; S206-G209 VanDerWaalsContact OG-N 3.09Å; S206-G209 PolarHBondContact OG-O 3.49Å; S206-D410 WeakPolarHBondContact CA-O 3.46Å; S206-D410 PolarHBondContact OG-OD1 3.05Å; S206-S412 PolarHBondContact O-N 3.21Å
207	Y	94.5	Very high	95.8	Very high	51 Å²	51	20.5 Å²	20.5	20%	0.2	11%	0.11	C	C	.	.	S	Bend	trans	-69.5	-49.7	179.8	176.5	-108.1	0	0	0	111.8	N104 D403 A406 R407 D410 E411	N104-Y207 HydrophobicContact CB-CD1 4.03Å; Y207-D403 PolarHBondContact OH-OD1 2.95Å; Y207-A406 HydrophobicContact CD2-CB 3.58Å; Y207-A406 HydrophobicContact CE2-CB 3.89Å; Y207-R407 HydrophobicContact CD1-CG 3.96Å; Y207-R407 HydrophobicContact CD2-CG 4.17Å; Y207-R407 HydrophobicContact CE1-CG 3.62Å; Y207-R407 HydrophobicContact CE2-CG 3.78Å; Y207-R407 HydrophobicContact CG-CG 4.25Å; Y207-R407 PolarHBondContact OH-NE 3.49Å; Y207-R407 PolarHBondContact OH-NH2 2.9Å; Y207-D410 PolarHBondContact N-OD1 3.5Å; Y207-E411 WeakPolarHBondContact CA-O 3.2Å
208	Q	92.1	Very high	95.8	Very high	45 Å²	45	20.8 Å²	20.8	21%	0.21	11%	0.112	C	C	.	.	S	Bend	trans	-92	-8.2	-179.3	-57.4	-175.8	25.8	0	0	112.8	D103 N104 R262	D103-Q208 PolarHBondContact O-NE2 3.41Å; N104-Q208 WeakPolarHBondContact OD1-CG 3.35Å; N104-Q208 PolarHBondContact OD1-NE2 3.27Å; Q208-R262 PolarHBondContact O-NH1 2.81Å
209	G	93.7	Very high	95.7	Very high	6 Å²	6	22.5 Å²	22.5	6%	0.062	12%	0.117	C	C	.	.			trans	96.9	165.6	-165.1	0	0	0	0	0	112.2	N202 S206 R262	N202-G209 CarbonylContact O-C 3.58Å; N202-G209 WeakPolarHBondContact O-CA 3.48Å; S206-G209 WeakPolarHBondContact OG-CA 3.49Å; S206-G209 PolarHBondContact OG-N 3.06Å; S206-G209 VanDerWaalsContact OG-N 3.09Å; S206-G209 PolarHBondContact OG-O 3.49Å; G209-R262 VanDerWaalsContact C-CZ 3.49Å; G209-R262 PolarHBondContact O-NE 2.64Å
210	L	94.7	Very high	95.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	121.3	-176.6	-175.1	77.6	0	0	0	109.6	P94 Q95 F98 I102 A201 N202 C212 F228 W231	P94-L210 HydrophobicContact CG-CD2 3.6Å; Q95-L210 HydrophobicContact CG-CD1 4.1Å; Q95-L210 HydrophobicContact CG-CD2 4.29Å; F98-L210 HydrophobicContact CE2-CD1 3.86Å; F98-L210 HydrophobicContact CZ-CD1 4.07Å; I102-L210 HydrophobicContact CD1-CD1 4.3Å; A201-L210 CarbonylContact C-O 3.58Å; A201-L210 VanDerWaalsContact CA-O 3.29Å; A201-L210 WeakPolarHBondContact CA-O 3.43Å; N202-L210 PolarHBondContact N-O 2.85Å; N202-L210 PolarHBondContact O-N 2.82Å; L210-C212 PolarHBondContact O-N 3.31Å; L210-C212 PolarHBondContact O-SG 2.81Å; L210-F228 HydrophobicContact CD2-CE1 3.77Å; L210-F228 HydrophobicContact CD2-CZ 4.08Å; L210-F228 HydrophobicContact CG-CE1 4.26Å; L210-W231 HydrophobicContact CD1-CH2 3.28Å; L210-W231 HydrophobicContact CD1-CZ2 3.94Å; L210-W231 HydrophobicContact CD1-CZ3 3.83Å; L210-W231 HydrophobicContact CG-CH2 4.16Å; L210-W231 HydrophobicContact CG-CZ3 4.45Å
211	T	97	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	122.2	170.4	-48.9	0	0	0	0	109.1	L199 W231 D263 F264	L199-T211 HydrophobicContact CB-CG2 4.21Å; L199-T211 HydrophobicContact CD1-CG2 4.27Å; L199-T211 HydrophobicContact CD2-CG2 4.03Å; L199-T211 HydrophobicContact CG-CG2 4.43Å; T211-W231 WeakPolarHBondContact O-CZ3 3.41Å; T211-D263 WeakPolarHBondContact CB-OD2 3.35Å; T211-D263 PolarHBondContact N-OD2 3.1Å; T211-D263 PolarHBondContact OG1-OD2 3.32Å; T211-F264 HydrophobicContact CG2-CE2 3.75Å; T211-F264 HydrophobicContact CG2-CZ 4.06Å
212	C	97.3	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-20.5	-171.1	-63.7	0	0	0	0	113.1	E200 L210 P227 F228 W309 R312	E200-C212 PolarHBondContact O-N 3.23Å; L210-C212 PolarHBondContact O-N 3.31Å; L210-C212 PolarHBondContact O-SG 2.81Å; C212-P227 VanDerWaalsContact O-CD 3.31Å; C212-P227 WeakPolarHBondContact O-CD 3.45Å; C212-F228 HydrophobicContact CB-CE1 4.48Å; C212-F228 HydrophobicContact CB-CZ 3.95Å; C212-W309 HydrophobicContact CB-CB 3.59Å; C212-R312 PolarHBondContact O-NH2 3.11Å
213	L	98.2	Very high	96.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	151.6	178.7	-148.2	65.7	0	0	0	109.6	L199 E200 I224 I225 W309 L314 A322	L199-L213 WeakPolarHBondContact CA-O 3.41Å; E200-L213 HydrophobicContact CB-CB 3.83Å; E200-L213 HydrophobicContact CG-CB 4.24Å; E200-L213 PolarHBondContact N-O 3.19Å; E200-L213 PolarHBondContact O-N 3.2Å; L213-I224 HydrophobicContact CD1-CG2 3.61Å; L213-I224 HydrophobicContact CD2-CG2 3.74Å; L213-I224 HydrophobicContact CG-CG2 3.73Å; L213-I225 WeakPolarHBondContact CD1-O 3.12Å; L213-W309 HydrophobicContact CD2-CE3 4.19Å; L213-W309 HydrophobicContact CD2-CZ3 4.04Å; L213-L314 HydrophobicContact CD1-CD1 3.64Å; L213-L314 HydrophobicContact CD2-CD1 4.12Å; L213-A322 HydrophobicContact CD2-CB 3.72Å
214	M	98.8	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.2	166.7	174.2	-173	-65.9	0	0	109	V197 L199 I216 I225 M234 L237 F241 L260 I266	V197-M214 HydrophobicContact CG1-CG 4.36Å; L199-M214 HydrophobicContact CD2-CB 3.52Å; L199-M214 HydrophobicContact CD2-CE 3.68Å; L199-M214 HydrophobicContact CD2-CG 3.57Å; L199-M214 HydrophobicContact CD2-SD 4.45Å; M214-I216 HydrophobicContact CG-CG1 4.25Å; M214-I216 HydrophobicContact SD-CD1 4.05Å; M214-I216 HydrophobicContact SD-CG1 4.36Å; M214-I225 HydrophobicContact CB-CB 4.26Å; M214-I225 HydrophobicContact CB-CD1 4.39Å; M214-I225 HydrophobicContact CG-CD1 4.11Å; M214-I225 PolarHBondContact N-O 2.97Å; M214-I225 PolarHBondContact O-N 3.22Å; M214-I225 HydrophobicContact SD-CD1 3.7Å; M214-M234 HydrophobicContact CB-CE 4.48Å; M214-M234 HydrophobicContact CE-CE 3.6Å; M214-M234 HydrophobicContact SD-CE 3.98Å; M214-L237 HydrophobicContact CE-CD1 3.94Å; M214-L237 HydrophobicContact SD-CD1 3.53Å; M214-L237 VanDerWaalsContact SD-CD1 3.53Å; M214-F241 HydrophobicContact SD-CZ 4.08Å; M214-L260 HydrophobicContact CE-CD2 3.46Å; M214-L260 VanDerWaalsContact CE-CD2 3.46Å; M214-I266 HydrophobicContact CE-CD1 4.12Å
215	Q	98.7	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.8	179.3	-53.7	97.7	-56	0	0	108.6	V197 D198 Y223 I224 A322 T326	V197-Q215 VanDerWaalsContact CA-O 3.31Å; V197-Q215 WeakPolarHBondContact CA-O 3.36Å; D198-Q215 HydrophobicContact CB-CB 4.43Å; D198-Q215 PolarHBondContact N-O 3.1Å; D198-Q215 PolarHBondContact O-N 3.02Å; D198-Q215 PolarHBondContact O-OE1 3.19Å; Q215-Y223 WeakPolarHBondContact CA-O 3.27Å; Q215-I224 HydrophobicContact CG-CG1 4.44Å; Q215-A322 HydrophobicContact CG-CB 3.9Å; Q215-A322 VanDerWaalsContact CG-O 3.31Å; Q215-A322 WeakPolarHBondContact CG-O 3.16Å; Q215-T326 HydrophobicContact CB-CG2 3.87Å
216	I	98.9	Very high	97.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.7	175.1	-61.2	-175.8	0	0	0	108.6	L185 L189 F195 A196 V197 M214 D222 Y223 I225 L237 F241	L185-I216 HydrophobicContact CD2-CD1 4.37Å; L189-I216 HydrophobicContact CD1-CD1 3.88Å; L189-I216 HydrophobicContact CD1-CG2 4.24Å; L189-I216 HydrophobicContact CD2-CG2 3.85Å; F195-I216 HydrophobicContact CB-CG2 4.23Å; F195-I216 HydrophobicContact CD2-CG2 3.88Å; F195-I216 HydrophobicContact CG-CG2 4.35Å; A196-I216 VanDerWaalsContact O-CA 3.23Å; A196-I216 WeakPolarHBondContact O-CA 3.22Å; V197-I216 HydrophobicContact CG2-CG1 4.39Å; M214-I216 HydrophobicContact CG-CG1 4.25Å; M214-I216 HydrophobicContact SD-CD1 4.05Å; M214-I216 HydrophobicContact SD-CG1 4.36Å; I216-D222 CarbonylContact O-C 3.52Å; I216-Y223 HydrophobicContact CG2-CD2 4.47Å; I216-Y223 PolarHBondContact N-O 2.9Å; I216-Y223 PolarHBondContact O-N 3.27Å; I216-I225 HydrophobicContact CD1-CD1 3.81Å; I216-I225 HydrophobicContact CG1-CD1 4.27Å; I216-L237 HydrophobicContact CD1-CD2 4.46Å; I216-F241 HydrophobicContact CD1-CE2 3.94Å; I216-F241 HydrophobicContact CD1-CZ 4.05Å
217	S	98.8	Very high	97.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.5	170.6	-62.9	0	0	0	0	110.5	F195 A196 D222 T326 H327	F195-S217 CarbonylContact C-O 3.6Å; F195-S217 WeakPolarHBondContact CA-O 3.4Å; F195-S217 WeakPolarHBondContact CB-O 3.28Å; A196-S217 PolarHBondContact N-O 3.4Å; A196-S217 PolarHBondContact O-N 3.29Å; A196-S217 VanDerWaalsContact O-N 3.07Å; S217-D222 VanDerWaalsContact CB-OD1 3.23Å; S217-D222 WeakPolarHBondContact CB-OD1 3.23Å; S217-D222 PolarHBondContact OG-OD1 2.89Å; S217-T326 VanDerWaalsContact OG-C 3.27Å; S217-T326 VanDerWaalsContact OG-CB 3.3Å; S217-T326 WeakPolarHBondContact OG-CB 3.41Å; S217-T326 PolarHBondContact OG-OG1 3.03Å; S217-T326 VanDerWaalsContact OG-OG1 3.07Å; S217-H327 WeakPolarHBondContact OG-CA 3.43Å; S217-H327 PolarHBondContact OG-N 2.95Å
218	T	98.5	Very high	97.3	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.043	9%	0.089	C	C	.	.			trans	-92	-174.1	162.2	71	0	0	0	0	108.9	L189 Q192 K220 E221 Y223	L189-T218 HydrophobicContact CD2-CG2 3.83Å; Q192-T218 HydrophobicContact CG-CG2 3.9Å; T218-K220 PolarHBondContact O-N 2.91Å; T218-K220 PolarHBondContact OG1-N 3.49Å; T218-E221 PolarHBondContact N-O 3.48Å; T218-E221 PolarHBondContact OG1-N 2.87Å; T218-E221 VanDerWaalsContact OG1-N 3.08Å; T218-E221 PolarHBondContact OG1-O 3.38Å; T218-Y223 HydrophobicContact CG2-CE2 4.01Å
219	R	96.7	Very high	97.5	Very high	58 Å²	58	21 Å²	21	22%	0.219	10%	0.102	C	C	.	.	S	Bend	trans	-66.9	-14.4	173.6	-64.7	-64.4	-174.3	165.1	4.2	113.6	E194 L330 D334	E194-R219 IonicContact OE1-CZ 3.17Å; E194-R219 IonicContact OE1-NE 2.82Å; E194-R219 PolarHBondContact OE1-NE 2.73Å; E194-R219 IonicContact OE1-NH2 3.75Å; E194-R219 PolarHBondContact OE1-NH2 3.01Å; R219-L330 HydrophobicContact CG-CD1 4.08Å; R219-L330 PolarHBondContact NH1-O 2.9Å; R219-D334 IonicContact CZ-OD1 3.33Å; R219-D334 IonicContact CZ-OD2 3.53Å; R219-D334 IonicContact NH1-OD1 3.17Å; R219-D334 IonicContact NH1-OD2 3.39Å; R219-D334 PolarHBondContact NH1-OD2 3.02Å; R219-D334 VanDerWaalsContact NH2-CG 3.32Å; R219-D334 IonicContact NH2-OD1 2.72Å; R219-D334 PolarHBondContact NH2-OD1 2.76Å; R219-D334 IonicContact NH2-OD2 3.44Å; R219-D334 PolarHBondContact NH2-OD2 3.21Å; R219-D334 VanDerWaalsContact NH2-OD2 3.17Å
220	K	96.5	Very high	97.6	Very high	162 Å²	162	20.8 Å²	20.8	70%	0.704	10%	0.1	S	C	*	.	S	Bend	trans	-129.1	-21.3	-169.4	-64.1	-176.7	-178.5	177.3	0	114.5	T171 T218	T171-K220 VanDerWaalsContact CG2-O 3.28Å; T171-K220 WeakPolarHBondContact CG2-O 3.48Å; T218-K220 PolarHBondContact O-N 2.91Å; T218-K220 PolarHBondContact OG1-N 3.49Å
221	E	97.5	Very high	97.6	Very high	57 Å²	57	22.6 Å²	22.6	27%	0.266	11%	0.106	S	C	.	.			trans	-143.3	148.3	-169.4	-61.8	178.8	-140.9	0	0	110.3	P172 T218 Y223	P172-E221 HydrophobicContact CB-CG 4.29Å; P172-E221 HydrophobicContact CG-CG 4.48Å; T218-E221 PolarHBondContact N-O 3.48Å; T218-E221 PolarHBondContact OG1-N 2.87Å; T218-E221 VanDerWaalsContact OG1-N 3.08Å; T218-E221 PolarHBondContact OG1-O 3.38Å; E221-Y223 HydrophobicContact CB-CE2 3.8Å; E221-Y223 PolarHBondContact OE2-OH 3.15Å
222	D	98.7	Very high	97.4	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.6	172.6	-55.5	-54.8	0	0	0	110.7	P172 L173 T174 I216 S217 R323 H327	P172-D222 PolarHBondContact O-N 3.46Å; L173-D222 WeakPolarHBondContact CA-O 3.43Å; L173-D222 HydrophobicContact CD1-CB 4.12Å; T174-D222 PolarHBondContact N-O 3.34Å; I216-D222 CarbonylContact O-C 3.52Å; S217-D222 VanDerWaalsContact CB-OD1 3.23Å; S217-D222 WeakPolarHBondContact CB-OD1 3.23Å; S217-D222 PolarHBondContact OG-OD1 2.89Å; D222-R323 HydrophobicContact CB-CG 4.03Å; D222-R323 IonicContact OD2-CZ 3.15Å; D222-R323 IonicContact OD2-NE 2.71Å; D222-R323 PolarHBondContact OD2-NE 2.89Å; D222-R323 IonicContact OD2-NH2 2.71Å; D222-R323 PolarHBondContact OD2-NH2 2.85Å; D222-H327 IonicContact OD1-CG 2.65Å; D222-H327 IonicContact OD1-ND1 3.15Å; D222-H327 PolarHBondContact OD1-ND1 2.88Å; D222-H327 VanDerWaalsContact OD1-ND1 3.15Å; D222-H327 IonicContact OD2-CE1 3.55Å; D222-H327 IonicContact OD2-CG 2.74Å; D222-H327 IonicContact OD2-ND1 2.8Å; D222-H327 PolarHBondContact OD2-ND1 3Å
223	Y	98.8	Very high	97.3	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.1	-178.3	-56.2	-90.2	0	0	0	109.8	T174 I176 L185 H188 Q215 I216 T218 E221	T174-Y223 HydrophobicContact CG2-CD1 4.29Å; T174-Y223 HydrophobicContact CG2-CE1 4.44Å; T174-Y223 WeakPolarHBondContact O-CA 3.23Å; I176-Y223 HydrophobicContact CD1-CD1 4.27Å; I176-Y223 HydrophobicContact CG1-CD1 4.33Å; L185-Y223 HydrophobicContact CD1-CD1 3.66Å; L185-Y223 HydrophobicContact CD1-CD2 3.8Å; L185-Y223 HydrophobicContact CD1-CE1 3.74Å; L185-Y223 HydrophobicContact CD1-CE2 3.84Å; L185-Y223 HydrophobicContact CD1-CG 3.71Å; L185-Y223 HydrophobicContact CD2-CD1 4.44Å; L185-Y223 HydrophobicContact CD2-CG 4.35Å; H188-Y223 PolarHBondContact CD2-OH 3.19Å; H188-Y223 VanDerWaalsContact CD2-OH 3.28Å; H188-Y223 PolarHBondContact NE2-OH 2.9Å; Q215-Y223 WeakPolarHBondContact CA-O 3.27Å; I216-Y223 HydrophobicContact CG2-CD2 4.47Å; I216-Y223 PolarHBondContact N-O 2.9Å; I216-Y223 PolarHBondContact O-N 3.27Å; T218-Y223 HydrophobicContact CG2-CE2 4.01Å; E221-Y223 HydrophobicContact CB-CE2 3.8Å; E221-Y223 PolarHBondContact OE2-OH 3.15Å
224	I	98.7	Very high	97.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.1	169.6	-70.5	172.4	0	0	0	107.7	L173 T174 M175 I176 L213 Q215 I319 A322 R323	L173-I224 HydrophobicContact CD1-CD1 3.99Å; L173-I224 HydrophobicContact CD1-CG1 4.01Å; L173-I224 HydrophobicContact CD2-CD1 4.41Å; T174-I224 PolarHBondContact O-N 3.36Å; M175-I224 CarbonylContact C-O 3.29Å; M175-I224 WeakPolarHBondContact CA-O 3.46Å; M175-I224 HydrophobicContact CE-CB 4.05Å; M175-I224 HydrophobicContact CE-CG2 3.62Å; M175-I224 HydrophobicContact SD-CB 3.76Å; M175-I224 HydrophobicContact SD-CD1 4.27Å; M175-I224 HydrophobicContact SD-CG2 4.03Å; I176-I224 PolarHBondContact N-O 3.18Å; L213-I224 HydrophobicContact CD1-CG2 3.61Å; L213-I224 HydrophobicContact CD2-CG2 3.74Å; L213-I224 HydrophobicContact CG-CG2 3.73Å; Q215-I224 HydrophobicContact CG-CG1 4.44Å; I224-I319 HydrophobicContact CD1-CB 4.45Å; I224-I319 HydrophobicContact CD1-CG2 3.81Å; I224-A322 HydrophobicContact CD1-CB 4.21Å; I224-R323 HydrophobicContact CD1-CB 4.48Å
225	I	98.8	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.3	-177.7	-53.3	163.8	0	0	0	108.7	I176 L182 L185 L213 M214 I216 P227 L230 M234 L237	I176-I225 HydrophobicContact CB-CB 4.32Å; I176-I225 HydrophobicContact CB-CG1 3.95Å; I176-I225 HydrophobicContact CB-CG2 4.33Å; I176-I225 HydrophobicContact CG1-CG1 4.19Å; I176-I225 HydrophobicContact CG2-CG1 4.33Å; I176-I225 HydrophobicContact CG2-CG2 4.22Å; I176-I225 WeakPolarHBondContact O-CA 3.49Å; L182-I225 HydrophobicContact CD1-CG2 4.48Å; L185-I225 HydrophobicContact CD2-CD1 3.71Å; L185-I225 HydrophobicContact CD2-CG1 4.06Å; L213-I225 WeakPolarHBondContact CD1-O 3.12Å; M214-I225 HydrophobicContact CB-CB 4.26Å; M214-I225 HydrophobicContact CB-CD1 4.39Å; M214-I225 HydrophobicContact CG-CD1 4.11Å; M214-I225 PolarHBondContact N-O 2.97Å; M214-I225 PolarHBondContact O-N 3.22Å; M214-I225 HydrophobicContact SD-CD1 3.7Å; I216-I225 HydrophobicContact CD1-CD1 3.81Å; I216-I225 HydrophobicContact CG1-CD1 4.27Å; I225-P227 VanDerWaalsContact O-CD 3.23Å; I225-P227 WeakPolarHBondContact O-CD 3.47Å; I225-L230 HydrophobicContact CG2-CD1 3.84Å; I225-M234 HydrophobicContact CG2-CE 3.96Å; I225-M234 HydrophobicContact CG2-SD 3.79Å; I225-L237 HydrophobicContact CD1-CD1 4.24Å
226	D	98.1	Very high	97.1	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.144	16%	0.162	C	C	.	.			trans	-85.1	106	168	-172.5	-4.7	0	0	0	109.6	I176 F228 P229 R312	I176-D226 PolarHBondContact O-N 3.06Å; D226-F228 VanDerWaalsContact C-N 3.27Å; D226-F228 PolarHBondContact O-N 3.23Å; D226-F228 PolarHBondContact OD1-N 3.12Å; D226-F228 VanDerWaalsContact OD1-N 3.16Å; D226-P229 HydrophobicContact CB-CG 4.42Å; D226-P229 WeakPolarHBondContact O-CD 3.47Å; D226-R312 VanDerWaalsContact CG-NE 3.34Å; D226-R312 VanDerWaalsContact CG-NH2 3.32Å; D226-R312 IonicContact OD1-CZ 3.82Å; D226-R312 IonicContact OD1-NE 3.64Å; D226-R312 PolarHBondContact OD1-NE 2.95Å; D226-R312 IonicContact OD1-NH2 2.79Å; D226-R312 PolarHBondContact OD1-NH2 3.34Å; D226-R312 IonicContact OD2-CZ 3.8Å; D226-R312 IonicContact OD2-NE 3.96Å; D226-R312 PolarHBondContact OD2-NE 3.38Å; D226-R312 IonicContact OD2-NH2 3.56Å
227	P	97.2	Very high	97.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-73.8	-16.5	-175.9	31	-36.1	0	0	0	113	C212 I225 L230 W231 M234 F264	C212-P227 VanDerWaalsContact O-CD 3.31Å; C212-P227 WeakPolarHBondContact O-CD 3.45Å; I225-P227 VanDerWaalsContact O-CD 3.23Å; I225-P227 WeakPolarHBondContact O-CD 3.47Å; P227-L230 CarbonylContact O-C 3.59Å; P227-L230 VanDerWaalsContact O-C 3.29Å; P227-L230 PolarHBondContact O-N 2.61Å; P227-L230 VanDerWaalsContact O-N 3.11Å; P227-W231 HydrophobicContact CB-CE3 4.32Å; P227-W231 HydrophobicContact CB-CZ3 4.4Å; P227-W231 VanDerWaalsContact O-CA 3.23Å; P227-W231 WeakPolarHBondContact O-CA 3.33Å; P227-W231 PolarHBondContact O-N 3.22Å; P227-M234 HydrophobicContact CB-CE 4.32Å; P227-M234 HydrophobicContact CB-CG 4.29Å; P227-M234 HydrophobicContact CB-SD 4.31Å; P227-F264 HydrophobicContact CB-CE1 3.82Å; P227-F264 HydrophobicContact CB-CE2 4.41Å; P227-F264 HydrophobicContact CB-CZ 3.46Å; P227-F264 VanDerWaalsContact CB-CZ 3.46Å; P227-F264 HydrophobicContact CG-CZ 4.16Å
228	F	95.9	Very high	97.1	Very high	30 Å²	30	35.9 Å²	35.9	13%	0.132	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-50.3	-173.1	-60.5	-26.1	0	0	0	113.9	P94 F98 L210 C212 D226 L230 W231 R310	P94-F228 HydrophobicContact CB-CD1 3.89Å; P94-F228 HydrophobicContact CB-CD2 3.75Å; P94-F228 HydrophobicContact CB-CE1 3.94Å; P94-F228 HydrophobicContact CB-CE2 3.79Å; P94-F228 HydrophobicContact CB-CG 3.8Å; P94-F228 HydrophobicContact CB-CZ 3.89Å; P94-F228 HydrophobicContact CG-CD1 4.38Å; P94-F228 HydrophobicContact CG-CD2 4.39Å; P94-F228 HydrophobicContact CG-CE1 3.93Å; P94-F228 HydrophobicContact CG-CE2 3.92Å; P94-F228 HydrophobicContact CG-CZ 3.67Å; F98-F228 HydrophobicContact CE1-CB 4.46Å; F98-F228 HydrophobicContact CE1-CD1 4.16Å; F98-F228 HydrophobicContact CZ-CD1 4.04Å; L210-F228 HydrophobicContact CD2-CE1 3.77Å; L210-F228 HydrophobicContact CD2-CZ 4.08Å; L210-F228 HydrophobicContact CG-CE1 4.26Å; C212-F228 HydrophobicContact CB-CE1 4.48Å; C212-F228 HydrophobicContact CB-CZ 3.95Å; D226-F228 VanDerWaalsContact C-N 3.27Å; D226-F228 PolarHBondContact O-N 3.23Å; D226-F228 PolarHBondContact OD1-N 3.12Å; D226-F228 VanDerWaalsContact OD1-N 3.16Å; F228-L230 PolarHBondContact O-N 3.04Å; F228-W231 HydrophobicContact CD1-CE3 4.26Å; F228-W231 HydrophobicContact CD1-CZ3 4.19Å; F228-W231 HydrophobicContact CE1-CZ3 4.37Å; F228-R310 HydrophobicContact CZ-CB 4.5Å; F228-R310 HydrophobicContact CZ-CG 4.39Å
229	P	95.8	Very high	97	Very high	75 Å²	75	39.4 Å²	39.4	49%	0.487	18%	0.178	S	C	.	.	H	α-helix	trans	-69.6	-16.9	171.5	27.1	-33.4	0	0	0	113	S177 D226	S177-P229 WeakPolarHBondContact O-CB 3.49Å; S177-P229 VanDerWaalsContact O-CG 3.27Å; S177-P229 WeakPolarHBondContact O-CG 3.47Å; D226-P229 HydrophobicContact CB-CG 4.42Å; D226-P229 WeakPolarHBondContact O-CD 3.47Å
230	L	96.3	Very high	97.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-105.7	7.9	-173.4	-60.1	177.3	0	0	0	114.2	I176 V179 L182 I225 P227 F228 R232 H233 M234	I176-L230 HydrophobicContact CG2-CD1 4.02Å; V179-L230 HydrophobicContact CG2-CD2 4.03Å; L182-L230 HydrophobicContact CB-CD1 4.4Å; L182-L230 HydrophobicContact CD2-CD1 4.45Å; I225-L230 HydrophobicContact CG2-CD1 3.84Å; P227-L230 CarbonylContact O-C 3.59Å; P227-L230 VanDerWaalsContact O-C 3.29Å; P227-L230 PolarHBondContact O-N 2.61Å; P227-L230 VanDerWaalsContact O-N 3.11Å; F228-L230 PolarHBondContact O-N 3.04Å; L230-R232 VanDerWaalsContact C-N 3.26Å; L230-R232 PolarHBondContact O-N 2.92Å; L230-H233 CarbonylContact O-C 3.52Å; L230-H233 WeakPolarHBondContact O-CA 3.48Å; L230-H233 PolarHBondContact O-N 3.12Å; L230-M234 HydrophobicContact CB-CG 4.25Å; L230-M234 HydrophobicContact CB-SD 3.98Å; L230-M234 WeakPolarHBondContact O-CG 3.36Å; L230-M234 PolarHBondContact O-N 3.38Å
231	W	94.8	Very high	97.2	Very high	38 Å²	38	28.9 Å²	28.9	14%	0.144	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-40.4	-163	-163.2	-90.5	0	0	0	113.9	F98 L210 T211 P227 F228 D263 F264	F98-W231 HydrophobicContact CD1-CB 4.26Å; F98-W231 HydrophobicContact CD1-CD2 4.34Å; F98-W231 HydrophobicContact CD1-CG 4.16Å; F98-W231 HydrophobicContact CD2-CD2 4.08Å; F98-W231 AromaticContact CD2-CE2 3.99Å; F98-W231 HydrophobicContact CD2-CG 4.25Å; F98-W231 HydrophobicContact CE1-CB 4.31Å; F98-W231 AromaticContact CE1-CD2 3.89Å; F98-W231 HydrophobicContact CE1-CD2 3.89Å; F98-W231 AromaticContact CE1-CE3 3.77Å; F98-W231 HydrophobicContact CE1-CE3 3.77Å; F98-W231 HydrophobicContact CE1-CG 4.13Å; F98-W231 HydrophobicContact CE1-CZ3 4.47Å; F98-W231 AromaticContact CE2-CD2 3.59Å; F98-W231 HydrophobicContact CE2-CD2 3.59Å; F98-W231 AromaticContact CE2-CE2 3.55Å; F98-W231 AromaticContact CE2-CE3 3.81Å; F98-W231 HydrophobicContact CE2-CE3 3.81Å; F98-W231 HydrophobicContact CE2-CG 4.22Å; F98-W231 HydrophobicContact CE2-CH2 4.01Å; F98-W231 AromaticContact CE2-CZ2 3.77Å; F98-W231 HydrophobicContact CE2-CZ2 3.77Å; F98-W231 HydrophobicContact CE2-CZ3 4.01Å; F98-W231 HydrophobicContact CG-CD2 4.45Å; F98-W231 HydrophobicContact CG-CG 4.25Å; F98-W231 AromaticContact CZ-CD2 3.49Å; F98-W231 HydrophobicContact CZ-CD2 3.49Å; F98-W231 VanDerWaalsContact CZ-CD2 3.49Å; F98-W231 AromaticContact CZ-CE2 3.95Å; F98-W231 AromaticContact CZ-CE3 3.28Å; F98-W231 HydrophobicContact CZ-CE3 3.28Å; F98-W231 HydrophobicContact CZ-CG 4.17Å; F98-W231 HydrophobicContact CZ-CH2 4.08Å; F98-W231 HydrophobicContact CZ-CZ2 4.22Å; F98-W231 AromaticContact CZ-CZ3 3.6Å; F98-W231 HydrophobicContact CZ-CZ3 3.6Å; L210-W231 HydrophobicContact CD1-CH2 3.28Å; L210-W231 HydrophobicContact CD1-CZ2 3.94Å; L210-W231 HydrophobicContact CD1-CZ3 3.83Å; L210-W231 HydrophobicContact CG-CH2 4.16Å; L210-W231 HydrophobicContact CG-CZ3 4.45Å; T211-W231 WeakPolarHBondContact O-CZ3 3.41Å; P227-W231 HydrophobicContact CB-CE3 4.32Å; P227-W231 HydrophobicContact CB-CZ3 4.4Å; P227-W231 VanDerWaalsContact O-CA 3.23Å; P227-W231 WeakPolarHBondContact O-CA 3.33Å; P227-W231 PolarHBondContact O-N 3.22Å; F228-W231 HydrophobicContact CD1-CE3 4.26Å; F228-W231 HydrophobicContact CD1-CZ3 4.19Å; F228-W231 HydrophobicContact CE1-CZ3 4.37Å; W231-D263 HydrophobicContact CH2-CB 3.66Å; W231-D263 HydrophobicContact CZ2-CB 3.56Å; W231-F264 AromaticContact CD2-CE1 3.94Å; W231-F264 HydrophobicContact CD2-CE1 3.94Å; W231-F264 AromaticContact CE3-CE1 3.65Å; W231-F264 HydrophobicContact CE3-CE1 3.65Å; W231-F264 HydrophobicContact CE3-CZ 4.33Å; W231-F264 AromaticContact CH2-CE1 3.87Å; W231-F264 HydrophobicContact CH2-CE1 3.87Å; W231-F264 HydrophobicContact CH2-CZ 4.21Å; W231-F264 HydrophobicContact CZ2-CE1 4.18Å; W231-F264 AromaticContact CZ3-CE1 3.61Å; W231-F264 HydrophobicContact CZ3-CE1 3.61Å; W231-F264 AromaticContact CZ3-CZ 3.93Å; W231-F264 HydrophobicContact CZ3-CZ 3.93Å
232	R	93.1	Very high	97.3	Very high	124 Å²	124	26.3 Å²	26.3	47%	0.468	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5	178.7	-66.5	-174.5	79.8	133.3	17	114.8	D100 L230 Y235	D100-R232 VanDerWaalsContact CG-CZ 3.41Å; D100-R232 IonicContact OD1-CZ 3.61Å; D100-R232 VanDerWaalsContact OD1-CZ 3.28Å; D100-R232 IonicContact OD1-NH1 3.28Å; D100-R232 PolarHBondContact OD1-NH1 2.9Å; D100-R232 IonicContact OD1-NH2 3.89Å; D100-R232 PolarHBondContact OD1-NH2 3.48Å; D100-R232 IonicContact OD2-CZ 3.45Å; D100-R232 IonicContact OD2-NE 2.84Å; D100-R232 IonicContact OD2-NH1 2.96Å; D100-R232 PolarHBondContact OD2-NH1 2.84Å; D100-R232 IonicContact OD2-NH2 2.79Å; D100-R232 PolarHBondContact OD2-NH2 3.06Å; L230-R232 VanDerWaalsContact C-N 3.26Å; L230-R232 PolarHBondContact O-N 2.92Å; R232-Y235 WeakPolarHBondContact O-CD1 3.41Å; R232-Y235 WeakPolarHBondContact O-CE1 3.47Å
233	H	95.5	Very high	97.3	Very high	71 Å²	71	27.3 Å²	27.3	33%	0.329	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-14.5	-174.4	-60	-68.9	0	0	0	112.9	V179 L182 L230 Y235 L236	V179-H233 HydrophobicContact CG1-CB 4.38Å; V179-H233 HydrophobicContact CG2-CB 4.13Å; V179-H233 WeakPolarHBondContact CG2-CD2 3.45Å; L182-H233 HydrophobicContact CD2-CB 4.19Å; L182-H233 WeakPolarHBondContact CD2-O 3.48Å; L230-H233 CarbonylContact O-C 3.52Å; L230-H233 WeakPolarHBondContact O-CA 3.48Å; L230-H233 PolarHBondContact O-N 3.12Å; H233-Y235 PolarHBondContact O-N 3.43Å; H233-L236 HydrophobicContact CB-CD1 4.47Å; H233-L236 WeakPolarHBondContact O-CB 3.33Å; H233-L236 VanDerWaalsContact O-CG 3.25Å; H233-L236 WeakPolarHBondContact O-CG 3.28Å; H233-L236 PolarHBondContact O-N 2.95Å
234	M	97.3	Very high	97.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-52.6	-28.9	176.8	-70.2	-60.9	-74	0	0	113.1	L182 M214 I225 P227 L230 L236 L237 F264 I266	L182-M234 HydrophobicContact CD2-SD 4.41Å; M214-M234 HydrophobicContact CB-CE 4.48Å; M214-M234 HydrophobicContact CE-CE 3.6Å; M214-M234 HydrophobicContact SD-CE 3.98Å; I225-M234 HydrophobicContact CG2-CE 3.96Å; I225-M234 HydrophobicContact CG2-SD 3.79Å; P227-M234 HydrophobicContact CB-CE 4.32Å; P227-M234 HydrophobicContact CB-CG 4.29Å; P227-M234 HydrophobicContact CB-SD 4.31Å; L230-M234 HydrophobicContact CB-CG 4.25Å; L230-M234 HydrophobicContact CB-SD 3.98Å; L230-M234 WeakPolarHBondContact O-CG 3.36Å; L230-M234 PolarHBondContact O-N 3.38Å; M234-L236 PolarHBondContact O-N 3.32Å; M234-L237 HydrophobicContact CE-CD1 3.7Å; M234-L237 WeakPolarHBondContact O-CB 3.49Å; M234-L237 PolarHBondContact O-N 2.98Å; M234-L237 HydrophobicContact SD-CD1 4.38Å; M234-F264 HydrophobicContact CB-CB 3.7Å; M234-F264 HydrophobicContact CB-CD1 3.52Å; M234-F264 HydrophobicContact CB-CD2 4.25Å; M234-F264 HydrophobicContact CB-CE1 4.23Å; M234-F264 HydrophobicContact CB-CG 3.55Å; M234-F264 HydrophobicContact CE-CD2 4.31Å; M234-F264 HydrophobicContact CE-CE2 4.18Å; M234-F264 HydrophobicContact CE-CZ 4.47Å; M234-F264 HydrophobicContact CG-CD1 3.64Å; M234-F264 HydrophobicContact CG-CD2 4.49Å; M234-F264 HydrophobicContact CG-CE1 3.82Å; M234-F264 HydrophobicContact CG-CG 4.02Å; M234-F264 HydrophobicContact CG-CZ 4.32Å; M234-I266 HydrophobicContact CB-CD1 4.2Å; M234-I266 VanDerWaalsContact O-CD1 3.29Å; M234-I266 WeakPolarHBondContact O-CD1 3.25Å
235	Y	96.1	Very high	97.2	Very high	53 Å²	53	33.9 Å²	33.9	21%	0.208	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-56.8	-20.3	176.8	79	-89.9	0	0	0	114.4	L114 R232 H233 L237 N238	L114-Y235 HydrophobicContact CB-CE2 4.41Å; L114-Y235 HydrophobicContact CD1-CD1 4.12Å; L114-Y235 HydrophobicContact CD1-CE1 3.79Å; L114-Y235 HydrophobicContact CD1-CE2 4.38Å; R232-Y235 WeakPolarHBondContact O-CD1 3.41Å; R232-Y235 WeakPolarHBondContact O-CE1 3.47Å; H233-Y235 PolarHBondContact O-N 3.43Å; Y235-L237 PolarHBondContact O-N 2.82Å; Y235-N238 VanDerWaalsContact O-CB 3.3Å; Y235-N238 WeakPolarHBondContact O-CB 3.35Å; Y235-N238 PolarHBondContact O-N 3.49Å; Y235-N238 VanDerWaalsContact O-N 3.09Å; Y235-N238 PolarHBondContact O-ND2 3.49Å
236	L	97.4	Very high	97.1	Very high	32 Å²	32	34.1 Å²	34.1	17%	0.168	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-59.3	-29.3	175.1	-67.4	173.8	0	0	0	112	V179 L182 K183 H233 M234 N238 E239	V179-L236 HydrophobicContact CG1-CD1 4.49Å; L182-L236 HydrophobicContact CD2-CD1 4.38Å; K183-L236 HydrophobicContact CG-CD1 4.09Å; H233-L236 HydrophobicContact CB-CD1 4.47Å; H233-L236 WeakPolarHBondContact O-CB 3.33Å; H233-L236 VanDerWaalsContact O-CG 3.25Å; H233-L236 WeakPolarHBondContact O-CG 3.28Å; H233-L236 PolarHBondContact O-N 2.95Å; M234-L236 PolarHBondContact O-N 3.32Å; L236-N238 PolarHBondContact O-N 3.15Å; L236-N238 VanDerWaalsContact O-N 3.1Å; L236-E239 PolarHBondContact O-N 3.03Å; L236-E239 VanDerWaalsContact O-N 3.12Å
237	L	98.5	Very high	97.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-64	-14.3	176.2	-69.3	168.3	0	0	0	113.2	L182 L189 M214 I216 I225 M234 Y235 E239 P240 F241 I266	L182-L237 HydrophobicContact CD1-CD1 4.18Å; L182-L237 HydrophobicContact CD1-CD2 4.02Å; L182-L237 HydrophobicContact CD1-CG 4.01Å; L189-L237 HydrophobicContact CD1-CD2 4.49Å; M214-L237 HydrophobicContact CE-CD1 3.94Å; M214-L237 HydrophobicContact SD-CD1 3.53Å; M214-L237 VanDerWaalsContact SD-CD1 3.53Å; I216-L237 HydrophobicContact CD1-CD2 4.46Å; I225-L237 HydrophobicContact CD1-CD1 4.24Å; M234-L237 HydrophobicContact CE-CD1 3.7Å; M234-L237 WeakPolarHBondContact O-CB 3.49Å; M234-L237 PolarHBondContact O-N 2.98Å; M234-L237 HydrophobicContact SD-CD1 4.38Å; Y235-L237 PolarHBondContact O-N 2.82Å; L237-E239 PolarHBondContact O-N 3.39Å; L237-E239 VanDerWaalsContact O-N 3.17Å; L237-P240 VanDerWaalsContact O-CD 3.26Å; L237-P240 WeakPolarHBondContact O-CD 3.2Å; L237-P240 WeakPolarHBondContact O-CG 3.43Å; L237-F241 HydrophobicContact CB-CD2 4.1Å; L237-F241 HydrophobicContact CB-CE2 4.19Å; L237-F241 HydrophobicContact CD2-CE2 4.25Å; L237-F241 WeakPolarHBondContact O-CB 3.3Å; L237-F241 VanDerWaalsContact O-CD2 3.23Å; L237-F241 WeakPolarHBondContact O-CD2 3.45Å; L237-F241 WeakPolarHBondContact O-CG 3.42Å; L237-F241 PolarHBondContact O-N 3.43Å; L237-I266 HydrophobicContact CB-CD1 3.96Å; L237-I266 HydrophobicContact CB-CG1 4.45Å; L237-I266 HydrophobicContact CD1-CD1 4Å
238	N	98.3	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.4	-29.3	171.1	-82.4	-65.1	0	0	0	112	H117 Y235 L236 T242 S265 I266 Y267	H117-N238 HydrophobicContact CB-CB 4.43Å; Y235-N238 VanDerWaalsContact O-CB 3.3Å; Y235-N238 WeakPolarHBondContact O-CB 3.35Å; Y235-N238 PolarHBondContact O-N 3.49Å; Y235-N238 VanDerWaalsContact O-N 3.09Å; Y235-N238 PolarHBondContact O-ND2 3.49Å; L236-N238 PolarHBondContact O-N 3.15Å; L236-N238 VanDerWaalsContact O-N 3.1Å; N238-T242 HydrophobicContact CB-CG2 4.43Å; N238-T242 WeakPolarHBondContact O-CB 3.34Å; N238-T242 PolarHBondContact O-N 3.21Å; N238-T242 PolarHBondContact O-OG1 3.2Å; N238-S265 PolarHBondContact ND2-O 2.97Å; N238-I266 WeakPolarHBondContact OD1-CA 3.48Å; N238-Y267 PolarHBondContact OD1-N 3Å
239	E	97.9	Very high	97.4	Very high	81 Å²	81	31.4 Å²	31.4	38%	0.379	15%	0.153	S	C	.	.	H	α-helix	trans	-58.1	-61	179.1	-174.9	-176.7	-160.3	0	0	111.7	H117 N118 N190 L236 L237 N243	H117-E239 HydrophobicContact CB-CB 4.33Å; N118-E239 PolarHBondContact ND2-O 3.09Å; N190-E239 VanDerWaalsContact ND2-CD 3.29Å; N190-E239 WeakPolarHBondContact ND2-CG 3.41Å; N190-E239 PolarHBondContact ND2-OE2 3.14Å; L236-E239 PolarHBondContact O-N 3.03Å; L236-E239 VanDerWaalsContact O-N 3.12Å; L237-E239 PolarHBondContact O-N 3.39Å; L237-E239 VanDerWaalsContact O-N 3.17Å; E239-N243 WeakPolarHBondContact O-CB 3.5Å; E239-N243 PolarHBondContact O-N 3.07Å
240	P	98.6	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71	-34.7	173.4	25.3	-33.6	0	0	0	113.7	L189 F195 L237 T242 N243 K248	L189-P240 HydrophobicContact CB-CB 3.78Å; L189-P240 HydrophobicContact CB-CG 4.1Å; L189-P240 HydrophobicContact CD1-CG 4.21Å; F195-P240 HydrophobicContact CE1-CB 4.02Å; F195-P240 HydrophobicContact CZ-CB 4.11Å; L237-P240 VanDerWaalsContact O-CD 3.26Å; L237-P240 WeakPolarHBondContact O-CD 3.2Å; L237-P240 WeakPolarHBondContact O-CG 3.43Å; P240-T242 VanDerWaalsContact C-N 3.32Å; P240-T242 PolarHBondContact O-N 3Å; P240-N243 PolarHBondContact O-N 3.07Å; P240-K248 PolarHBondContact O-NZ 3.13Å; P240-K248 VanDerWaalsContact O-NZ 3.15Å
241	F	98.7	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-27.5	-174.7	-81	-135.9	0	0	0	113.2	F195 V197 M214 I216 L237 K248 F250 L260 I266 Y267 V268 V269	F195-F241 AromaticContact CE2-CD2 3.81Å; F195-F241 HydrophobicContact CE2-CD2 3.81Å; F195-F241 AromaticContact CE2-CE2 3.43Å; F195-F241 HydrophobicContact CE2-CE2 3.43Å; F195-F241 VanDerWaalsContact CE2-CE2 3.43Å; F195-F241 HydrophobicContact CE2-CZ 4.03Å; F195-F241 AromaticContact CZ-CD2 3.61Å; F195-F241 HydrophobicContact CZ-CD2 3.61Å; F195-F241 AromaticContact CZ-CE2 3.71Å; F195-F241 HydrophobicContact CZ-CE2 3.71Å; F195-F241 HydrophobicContact CZ-CG 4.48Å; V197-F241 HydrophobicContact CB-CZ 4.5Å; V197-F241 HydrophobicContact CG1-CE1 4.06Å; V197-F241 HydrophobicContact CG1-CZ 3.89Å; V197-F241 HydrophobicContact CG2-CE1 4.21Å; V197-F241 HydrophobicContact CG2-CE2 4.37Å; V197-F241 HydrophobicContact CG2-CZ 3.74Å; M214-F241 HydrophobicContact SD-CZ 4.08Å; I216-F241 HydrophobicContact CD1-CE2 3.94Å; I216-F241 HydrophobicContact CD1-CZ 4.05Å; L237-F241 HydrophobicContact CB-CD2 4.1Å; L237-F241 HydrophobicContact CB-CE2 4.19Å; L237-F241 HydrophobicContact CD2-CE2 4.25Å; L237-F241 WeakPolarHBondContact O-CB 3.3Å; L237-F241 VanDerWaalsContact O-CD2 3.23Å; L237-F241 WeakPolarHBondContact O-CD2 3.45Å; L237-F241 WeakPolarHBondContact O-CG 3.42Å; L237-F241 PolarHBondContact O-N 3.43Å; F241-K248 WeakPolarHBondContact O-CE 3.47Å; F241-K248 PolarHBondContact O-NZ 3.11Å; F241-F250 HydrophobicContact CE1-CZ 4.43Å; F241-L260 HydrophobicContact CD1-CD1 4.44Å; F241-L260 HydrophobicContact CE1-CD1 4.24Å; F241-L260 HydrophobicContact CE1-CD2 4.48Å; F241-I266 HydrophobicContact CB-CG2 4.15Å; F241-I266 HydrophobicContact CD1-CG2 3.43Å; F241-I266 VanDerWaalsContact CD1-CG2 3.43Å; F241-I266 HydrophobicContact CE1-CG2 4.08Å; F241-I266 HydrophobicContact CG-CG2 3.98Å; F241-Y267 VanDerWaalsContact CB-O 3.28Å; F241-Y267 WeakPolarHBondContact CB-O 3.39Å; F241-V268 HydrophobicContact CD1-CG2 4.01Å; F241-V268 WeakPolarHBondContact O-CA 3.26Å; F241-V269 PolarHBondContact O-N 2.95Å
242	T	98.5	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-104.9	1.3	178	68	0	0	0	0	113.3	H117 N118 Y142 N238 P240 P244 Y267 V269	H117-T242 PolarHBondContact O-OG1 3.41Å; N118-T242 WeakPolarHBondContact CB-O 3.42Å; N118-T242 VanDerWaalsContact ND2-C 3.28Å; N118-T242 PolarHBondContact ND2-OG1 3.25Å; Y142-T242 HydrophobicContact CD1-CG2 4.2Å; Y142-T242 HydrophobicContact CD2-CG2 4.34Å; Y142-T242 HydrophobicContact CE1-CG2 3.73Å; Y142-T242 HydrophobicContact CE2-CG2 3.89Å; Y142-T242 HydrophobicContact CG-CG2 4.47Å; Y142-T242 PolarHBondContact OH-OG1 2.92Å; N238-T242 HydrophobicContact CB-CG2 4.43Å; N238-T242 WeakPolarHBondContact O-CB 3.34Å; N238-T242 PolarHBondContact O-N 3.21Å; N238-T242 PolarHBondContact O-OG1 3.2Å; P240-T242 VanDerWaalsContact C-N 3.32Å; P240-T242 PolarHBondContact O-N 3Å; T242-P244 VanDerWaalsContact O-CD 3.28Å; T242-P244 WeakPolarHBondContact O-CD 3.32Å; T242-Y267 WeakPolarHBondContact CG2-O 3.46Å; T242-V269 HydrophobicContact CG2-CG2 4.36Å
243	N	98.3	Very high	98.1	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.128	12%	0.12	C	C	.	.			trans	-68.9	114.3	173.2	-174.2	-20.7	0	0	0	109.5	N118 E239 P240 N245 I246 K248	N118-N243 PolarHBondContact ND2-N 3.33Å; N118-N243 VanDerWaalsContact ND2-N 3.16Å; E239-N243 WeakPolarHBondContact O-CB 3.5Å; E239-N243 PolarHBondContact O-N 3.07Å; P240-N243 PolarHBondContact O-N 3.07Å; N243-N245 PolarHBondContact O-N 3.23Å; N243-N245 WeakPolarHBondContact OD1-CB 3.49Å; N243-N245 PolarHBondContact OD1-N 3.05Å; N243-N245 PolarHBondContact OD1-ND2 2.92Å; N243-I246 HydrophobicContact CB-CD1 3.95Å; N243-I246 HydrophobicContact CB-CG1 4.15Å; N243-I246 PolarHBondContact O-N 3.31Å; N243-K248 PolarHBondContact O-NZ 3.42Å
244	P	98	Very high	98.2	Very high	39 Å²	39	22.5 Å²	22.5	25%	0.253	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.8	-175.2	29.6	-36.2	0	0	0	113.1	F149 T242 I246 V269 N270	F149-P244 HydrophobicContact CD2-CB 3.97Å; F149-P244 HydrophobicContact CE2-CB 3.93Å; T242-P244 VanDerWaalsContact O-CD 3.28Å; T242-P244 WeakPolarHBondContact O-CD 3.32Å; P244-I246 VanDerWaalsContact C-N 3.34Å; P244-V269 HydrophobicContact CB-CG1 4.21Å; P244-N270 WeakPolarHBondContact O-CB 3.49Å; P244-N270 PolarHBondContact O-ND2 3.38Å
245	N	97.5	Very high	98.2	Very high	114 Å²	114	25.3 Å²	25.3	61%	0.61	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-9.6	179.1	-59.9	-54.4	0	0	0	113.6	N243	N243-N245 PolarHBondContact O-N 3.23Å; N243-N245 WeakPolarHBondContact OD1-CB 3.49Å; N243-N245 PolarHBondContact OD1-N 3.05Å; N243-N245 PolarHBondContact OD1-ND2 2.92Å
246	I	98.4	Very high	98.3	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	13%	0.133	C	C	.	.	S	Bend	trans	-112.6	126.8	-176.7	-49.8	176.6	0	0	0	108.5	Q192 S193 F195 N243 P244 K248 N270	Q192-I246 WeakPolarHBondContact O-CG1 3.48Å; S193-I246 WeakPolarHBondContact O-CA 3.26Å; F195-I246 HydrophobicContact CD1-CG2 3.63Å; F195-I246 HydrophobicContact CE1-CG2 3.57Å; N243-I246 HydrophobicContact CB-CD1 3.95Å; N243-I246 HydrophobicContact CB-CG1 4.15Å; N243-I246 PolarHBondContact O-N 3.31Å; P244-I246 VanDerWaalsContact C-N 3.34Å; I246-K248 HydrophobicContact CG2-CD 4.46Å; I246-K248 VanDerWaalsContact O-CE 3.24Å; I246-K248 WeakPolarHBondContact O-CE 3.11Å; I246-K248 PolarHBondContact O-NZ 2.86Å; I246-N270 PolarHBondContact O-ND2 3.3Å
247	V	98.7	Very high	98.4	Very high	2 Å²	2	22 Å²	22	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.3	176.6	-177.3	0	0	0	0	109.8	L155 S193 E194 F195 V249 F272 Y333 F355	L155-V247 HydrophobicContact CD1-CG2 3.81Å; L155-V247 HydrophobicContact CD2-CG2 3.82Å; S193-V247 PolarHBondContact O-N 3.37Å; E194-V247 CarbonylContact C-O 3.49Å; E194-V247 WeakPolarHBondContact CA-O 3.32Å; E194-V247 HydrophobicContact CB-CB 3.88Å; E194-V247 WeakPolarHBondContact CB-O 3.42Å; F195-V247 PolarHBondContact N-O 2.85Å; V247-V249 HydrophobicContact CG1-CG2 4.1Å; V247-F272 HydrophobicContact CG1-CB 3.9Å; V247-Y333 HydrophobicContact CG1-CE2 4.35Å; V247-F355 HydrophobicContact CG1-CE1 4.45Å
248	K	98.9	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.4	170.3	-81.7	66.6	60	168.2	0	109.1	F195 P240 F241 N243 I246 F250 V268 V269 N270 M271 F272	F195-K248 HydrophobicContact CD2-CG 4.28Å; F195-K248 HydrophobicContact CE1-CD 3.66Å; F195-K248 HydrophobicContact CE1-CG 4.09Å; F195-K248 HydrophobicContact CE2-CD 4.05Å; F195-K248 HydrophobicContact CE2-CG 3.52Å; F195-K248 HydrophobicContact CZ-CD 3.39Å; F195-K248 HydrophobicContact CZ-CG 3.41Å; F195-K248 VanDerWaalsContact CZ-CG 3.41Å; F195-K248 WeakPolarHBondContact O-CA 3.2Å; P240-K248 PolarHBondContact O-NZ 3.13Å; P240-K248 VanDerWaalsContact O-NZ 3.15Å; F241-K248 WeakPolarHBondContact O-CE 3.47Å; F241-K248 PolarHBondContact O-NZ 3.11Å; N243-K248 PolarHBondContact O-NZ 3.42Å; I246-K248 HydrophobicContact CG2-CD 4.46Å; I246-K248 VanDerWaalsContact O-CE 3.24Å; I246-K248 WeakPolarHBondContact O-CE 3.11Å; I246-K248 PolarHBondContact O-NZ 2.86Å; K248-F250 HydrophobicContact CB-CD2 4.37Å; K248-F250 HydrophobicContact CB-CE2 4.05Å; K248-V268 HydrophobicContact CB-CG1 3.72Å; K248-V268 HydrophobicContact CG-CG1 4.02Å; K248-V269 WeakPolarHBondContact CE-O 3.46Å; K248-V269 PolarHBondContact NZ-O 3.24Å; K248-N270 WeakPolarHBondContact CE-O 3.39Å; K248-N270 PolarHBondContact N-O 3.45Å; K248-M271 CarbonylContact O-C 3.58Å; K248-M271 VanDerWaalsContact O-CA 3.26Å; K248-M271 WeakPolarHBondContact O-CA 3.45Å; K248-M271 WeakPolarHBondContact O-CG 3.43Å; K248-F272 PolarHBondContact O-N 3.09Å
249	V	98.9	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.1	-178.7	-173.1	0	0	0	0	110	F195 A196 V197 V247 F272 T274 L329 L330 Y333	F195-V249 PolarHBondContact O-N 2.74Å; A196-V249 CarbonylContact C-O 3.54Å; A196-V249 WeakPolarHBondContact CA-O 3.28Å; V197-V249 PolarHBondContact N-O 3.12Å; V247-V249 HydrophobicContact CG1-CG2 4.1Å; V249-F272 WeakPolarHBondContact CA-O 3.4Å; V249-T274 HydrophobicContact CG1-CG2 3.84Å; V249-L329 HydrophobicContact CG1-CD1 4.46Å; V249-L329 HydrophobicContact CG1-CD2 4.01Å; V249-L329 HydrophobicContact CG1-CG 3.72Å; V249-L329 WeakPolarHBondContact O-CD2 3.41Å; V249-L330 HydrophobicContact CB-CD2 4.05Å; V249-L330 HydrophobicContact CG2-CD2 3.65Å; V249-Y333 HydrophobicContact CG1-CG 4.34Å; V249-Y333 HydrophobicContact CG2-CD1 3.85Å; V249-Y333 HydrophobicContact CG2-CD2 4.21Å; V249-Y333 HydrophobicContact CG2-CE1 4.33Å; V249-Y333 HydrophobicContact CG2-CG 3.75Å
250	F	98.9	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	171.5	175.2	-77.2	-102.8	0	0	0	111	V197 F241 K248 A253 D256 L260 V268 M271 F272 T274	V197-F250 HydrophobicContact CB-CD1 4.16Å; V197-F250 HydrophobicContact CB-CD2 4.21Å; V197-F250 HydrophobicContact CB-CE1 3.61Å; V197-F250 HydrophobicContact CB-CE2 3.68Å; V197-F250 HydrophobicContact CB-CG 4.45Å; V197-F250 HydrophobicContact CB-CZ 3.36Å; V197-F250 HydrophobicContact CG1-CD1 4.45Å; V197-F250 HydrophobicContact CG1-CE1 3.53Å; V197-F250 HydrophobicContact CG1-CE2 4.21Å; V197-F250 HydrophobicContact CG1-CZ 3.39Å; V197-F250 HydrophobicContact CG2-CE2 4Å; V197-F250 HydrophobicContact CG2-CZ 4.01Å; V197-F250 WeakPolarHBondContact O-CD1 3.38Å; F241-F250 HydrophobicContact CE1-CZ 4.43Å; K248-F250 HydrophobicContact CB-CD2 4.37Å; K248-F250 HydrophobicContact CB-CE2 4.05Å; F250-A253 HydrophobicContact CB-CB 3.62Å; F250-A253 HydrophobicContact CD1-CB 3.95Å; F250-A253 HydrophobicContact CG-CB 3.87Å; F250-D256 HydrophobicContact CD1-CB 4.24Å; F250-D256 HydrophobicContact CE1-CB 3.99Å; F250-L260 HydrophobicContact CZ-CD1 4.2Å; F250-V268 HydrophobicContact CE2-CG1 4.31Å; F250-V268 HydrophobicContact CE2-CG2 4.26Å; F250-V268 HydrophobicContact CZ-CG2 4.35Å; F250-M271 HydrophobicContact CB-SD 4.28Å; F250-M271 HydrophobicContact CD2-CG 3.76Å; F250-M271 HydrophobicContact CD2-SD 4.35Å; F250-M271 HydrophobicContact CE2-CG 4.32Å; F250-F272 PolarHBondContact N-O 3.45Å; F250-T274 PolarHBondContact O-N 2.82Å; F250-T274 PolarHBondContact O-OG1 2.83Å
251	H	98.7	Very high	98	Very high	28 Å²	28	23.7 Å²	23.7	13%	0.13	13%	0.133	C	C	.	.	S	Bend	trans	-129	103.1	167.5	-173.2	86.7	0	0	0	111.3	T274 R286 L288 L329	H251-T274 WeakPolarHBondContact CA-OG1 3.49Å; H251-T274 WeakPolarHBondContact CB-OG1 3.45Å; H251-T274 PolarHBondContact ND1-OG1 2.8Å; H251-R286 PolarHBondContact CE1-O 3.07Å; H251-R286 VanDerWaalsContact CE1-O 3.27Å; H251-R286 PolarHBondContact NE2-O 3.25Å; H251-L288 HydrophobicContact CB-CD1 4.1Å; H251-L288 PolarHBondContact CE1-N 3.2Å; H251-L288 PolarHBondContact NE2-N 2.97Å; H251-L329 HydrophobicContact CB-CD1 4.09Å
252	G	98.4	Very high	97.8	Very high	26 Å²	26	24.7 Å²	24.7	27%	0.268	14%	0.137	S	C	.	.	S	Bend	trans	75.2	47.5	178.5	0	0	0	0	0	113.2	N254 D273	G252-N254 PolarHBondContact O-N 2.74Å; G252-D273 WeakPolarHBondContact CA-OD2 3.22Å; G252-D273 PolarHBondContact N-OD1 2.97Å; G252-D273 PolarHBondContact N-OD2 2.97Å
253	A	98.5	Very high	97.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	2.5	-163.6	0	0	0	0	0	115.8	F250 S255 D256 V257 M271 D273 V361	F250-A253 HydrophobicContact CB-CB 3.62Å; F250-A253 HydrophobicContact CD1-CB 3.95Å; F250-A253 HydrophobicContact CG-CB 3.87Å; A253-S255 VanDerWaalsContact C-N 3.26Å; A253-S255 PolarHBondContact O-N 2.84Å; A253-D256 WeakPolarHBondContact CA-OD2 3.39Å; A253-D256 PolarHBondContact O-N 2.9Å; A253-D256 VanDerWaalsContact O-N 3.12Å; A253-V257 HydrophobicContact CB-CG1 4.24Å; A253-V257 WeakPolarHBondContact O-CG1 3.44Å; A253-V257 WeakPolarHBondContact O-CG2 3.44Å; A253-V257 PolarHBondContact O-N 3.03Å; A253-M271 HydrophobicContact CB-CE 4.01Å; A253-D273 PolarHBondContact N-OD2 3.25Å; A253-V361 HydrophobicContact CB-CG1 4.04Å
254	N	98.1	Very high	97.5	Very high	68 Å²	68	24.9 Å²	24.9	36%	0.364	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.9	-172.8	-76.7	68	0	0	0	113.6	G252 V257 L364	G252-N254 PolarHBondContact O-N 2.74Å; N254-V257 WeakPolarHBondContact O-CG2 3.37Å; N254-L364 HydrophobicContact CB-CD1 4.39Å
255	S	97	Very high	97.3	Very high	58 Å²	58	23.2 Å²	23.2	41%	0.406	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-39.9	176.8	-56.3	0	0	0	0	110.9	A253 V257 L258 W259	A253-S255 VanDerWaalsContact C-N 3.26Å; A253-S255 PolarHBondContact O-N 2.84Å; S255-V257 PolarHBondContact O-N 2.84Å; S255-L258 WeakPolarHBondContact O-CB 3.35Å; S255-L258 PolarHBondContact O-N 3.45Å; S255-L258 VanDerWaalsContact O-N 3.07Å; S255-W259 VanDerWaalsContact CB-CZ2 3.45Å; S255-W259 PolarHBondContact O-N 2.9Å
256	D	98.3	Very high	97.3	Very high	10 Å²	10	17.8 Å²	17.8	5%	0.053	10%	0.098	C	C	.	.	H	α-helix	trans	-60.3	-47	-176	-53.7	-64.5	0	0	0	112	L199 F250 A253 L258 W259 L260	L199-D256 WeakPolarHBondContact CB-OD1 3.41Å; L199-D256 HydrophobicContact CD1-CB 3.81Å; L199-D256 HydrophobicContact CG-CB 4.33Å; F250-D256 HydrophobicContact CD1-CB 4.24Å; F250-D256 HydrophobicContact CE1-CB 3.99Å; A253-D256 WeakPolarHBondContact CA-OD2 3.39Å; A253-D256 PolarHBondContact O-N 2.9Å; A253-D256 VanDerWaalsContact O-N 3.12Å; D256-L258 PolarHBondContact O-N 3.25Å; D256-W259 PolarHBondContact O-N 3.06Å; D256-W259 WeakPolarHBondContact OD1-CZ3 3.41Å; D256-L260 WeakPolarHBondContact O-CB 3.39Å; D256-L260 VanDerWaalsContact O-CG 3.26Å; D256-L260 WeakPolarHBondContact O-CG 3.34Å; D256-L260 PolarHBondContact O-N 3.33Å
257	V	98.2	Very high	97.3	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.03	10%	0.098	C	C	.	.	H	α-helix	trans	-58.7	-34.5	177.3	-62.7	0	0	0	0	112.1	A253 N254 S255 Q261 V361 L364	A253-V257 HydrophobicContact CB-CG1 4.24Å; A253-V257 WeakPolarHBondContact O-CG1 3.44Å; A253-V257 WeakPolarHBondContact O-CG2 3.44Å; A253-V257 PolarHBondContact O-N 3.03Å; N254-V257 WeakPolarHBondContact O-CG2 3.37Å; S255-V257 PolarHBondContact O-N 2.84Å; V257-Q261 WeakPolarHBondContact O-CG 3.18Å; V257-Q261 PolarHBondContact O-N 3.08Å; V257-Q261 PolarHBondContact O-NE2 3.01Å; V257-V361 HydrophobicContact CG1-CG1 4.11Å; V257-V361 HydrophobicContact CG2-CG1 4.01Å; V257-V361 WeakPolarHBondContact CG2-O 3.41Å; V257-L364 HydrophobicContact CG2-CB 4.28Å; V257-L364 HydrophobicContact CG2-CD1 4.2Å
258	L	96.5	Very high	97.3	Very high	45 Å²	45	17.9 Å²	17.9	24%	0.236	10%	0.098	C	C	.	.	H	α-helix	trans	-75.8	-36.7	176.8	-64	178.2	0	0	0	111.8	S255 D256 Q261 R262 L364 L366	S255-L258 WeakPolarHBondContact O-CB 3.35Å; S255-L258 PolarHBondContact O-N 3.45Å; S255-L258 VanDerWaalsContact O-N 3.07Å; D256-L258 PolarHBondContact O-N 3.25Å; L258-Q261 PolarHBondContact O-N 2.81Å; L258-R262 VanDerWaalsContact O-CB 3.29Å; L258-R262 WeakPolarHBondContact O-CB 3.37Å; L258-R262 PolarHBondContact O-N 2.67Å; L258-L364 HydrophobicContact CD2-CB 3.95Å; L258-L366 HydrophobicContact CD2-CB 4.43Å
259	W	96.8	Very high	97.3	Very high	67 Å²	67	18 Å²	18	25%	0.254	10%	0.099	S	C	.	.	H	α-helix	trans	-68.8	-43.2	177.3	-62.2	-14.1	0	0	0	112.1	L199 A201 S255 D256 Q261 R262 D263	L199-W259 HydrophobicContact CB-CE3 4.11Å; L199-W259 HydrophobicContact CB-CZ3 4.39Å; L199-W259 HydrophobicContact CD1-CB 4.19Å; L199-W259 HydrophobicContact CD1-CE3 4.17Å; A201-W259 HydrophobicContact CB-CD2 3.89Å; A201-W259 HydrophobicContact CB-CE3 3.7Å; A201-W259 HydrophobicContact CB-CH2 3.64Å; A201-W259 HydrophobicContact CB-CZ2 3.83Å; A201-W259 HydrophobicContact CB-CZ3 3.58Å; S255-W259 VanDerWaalsContact CB-CZ2 3.45Å; S255-W259 PolarHBondContact O-N 2.9Å; D256-W259 PolarHBondContact O-N 3.06Å; D256-W259 WeakPolarHBondContact OD1-CZ3 3.41Å; W259-Q261 VanDerWaalsContact C-N 3.29Å; W259-Q261 PolarHBondContact O-N 3.43Å; W259-R262 PolarHBondContact O-N 3.38Å; W259-D263 WeakPolarHBondContact O-CB 3.4Å; W259-D263 PolarHBondContact O-N 3.39Å
260	L	97.5	Very high	97.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.1	C	C	.	.	I	π-helix	trans	-54.5	-45.5	172.6	-72.8	175.8	0	0	0	111.6	L199 M214 F241 F250 D256 F264 S265 I266 V268	L199-L260 HydrophobicContact CD1-CD2 3.9Å; L199-L260 HydrophobicContact CD1-CG 3.88Å; L199-L260 HydrophobicContact CD2-CD2 4.21Å; M214-L260 HydrophobicContact CE-CD2 3.46Å; M214-L260 VanDerWaalsContact CE-CD2 3.46Å; F241-L260 HydrophobicContact CD1-CD1 4.44Å; F241-L260 HydrophobicContact CE1-CD1 4.24Å; F241-L260 HydrophobicContact CE1-CD2 4.48Å; F250-L260 HydrophobicContact CZ-CD1 4.2Å; D256-L260 WeakPolarHBondContact O-CB 3.39Å; D256-L260 VanDerWaalsContact O-CG 3.26Å; D256-L260 WeakPolarHBondContact O-CG 3.34Å; D256-L260 PolarHBondContact O-N 3.33Å; L260-F264 HydrophobicContact CD2-CD2 4.41Å; L260-F264 CarbonylContact O-C 3.57Å; L260-F264 PolarHBondContact O-N 2.79Å; L260-F264 VanDerWaalsContact O-N 3.12Å; L260-S265 PolarHBondContact O-N 3.34Å; L260-I266 CarbonylContact C-O 3.56Å; L260-I266 HydrophobicContact CB-CB 4.03Å; L260-I266 HydrophobicContact CB-CG2 4.38Å; L260-I266 WeakPolarHBondContact CB-O 3.39Å; L260-I266 HydrophobicContact CD1-CG2 4.31Å; L260-I266 HydrophobicContact CD2-CB 4.14Å; L260-I266 HydrophobicContact CD2-CD1 4.12Å; L260-I266 HydrophobicContact CD2-CG2 4.13Å; L260-I266 PolarHBondContact O-N 3.25Å; L260-V268 HydrophobicContact CD1-CG2 3.89Å
261	Q	95.3	Very high	97.2	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	10%	0.101	C	C	.	.	I	π-helix	trans	-64.5	-54	176.4	-70.9	177.7	43	0	0	111.4	F109 V257 L258 W259 D263 S265 Y267 L364	F109-Q261 HydrophobicContact CE1-CB 4.45Å; F109-Q261 WeakPolarHBondContact CZ-O 3.33Å; V257-Q261 WeakPolarHBondContact O-CG 3.18Å; V257-Q261 PolarHBondContact O-N 3.08Å; V257-Q261 PolarHBondContact O-NE2 3.01Å; L258-Q261 PolarHBondContact O-N 2.81Å; W259-Q261 VanDerWaalsContact C-N 3.29Å; W259-Q261 PolarHBondContact O-N 3.43Å; Q261-D263 PolarHBondContact O-N 2.93Å; Q261-S265 WeakPolarHBondContact O-CA 3.48Å; Q261-S265 PolarHBondContact O-N 3.08Å; Q261-S265 VanDerWaalsContact O-N 3.07Å; Q261-Y267 HydrophobicContact CB-CE1 4.46Å; Q261-Y267 HydrophobicContact CG-CD1 3.82Å; Q261-Y267 HydrophobicContact CG-CE1 3.39Å; Q261-L364 PolarHBondContact NE2-O 3.29Å
262	R	93.9	Very high	97.2	Very high	22 Å²	22	17 Å²	17	8%	0.083	10%	0.095	C	C	.	.	I	π-helix	trans	-55.4	-51.7	-175	-175.1	-171	66.4	-137.8	-15.6	111.9	Q208 G209 L258 W259 L366	Q208-R262 PolarHBondContact O-NH1 2.81Å; G209-R262 VanDerWaalsContact C-CZ 3.49Å; G209-R262 PolarHBondContact O-NE 2.64Å; L258-R262 VanDerWaalsContact O-CB 3.29Å; L258-R262 WeakPolarHBondContact O-CB 3.37Å; L258-R262 PolarHBondContact O-N 2.67Å; W259-R262 PolarHBondContact O-N 3.38Å; R262-L366 HydrophobicContact CB-CD2 3.9Å; R262-L366 HydrophobicContact CG-CD2 3.87Å
263	D	95	Very high	97.3	Very high	20 Å²	20	15.8 Å²	15.8	11%	0.107	8%	0.082	C	C	.	.	I	π-helix	trans	-90.8	-38.6	-167.2	-67.9	-17.5	0	0	0	112.1	T211 W231 W259 Q261	T211-D263 WeakPolarHBondContact CB-OD2 3.35Å; T211-D263 PolarHBondContact N-OD2 3.1Å; T211-D263 PolarHBondContact OG1-OD2 3.32Å; W231-D263 HydrophobicContact CH2-CB 3.66Å; W231-D263 HydrophobicContact CZ2-CB 3.56Å; W259-D263 WeakPolarHBondContact O-CB 3.4Å; W259-D263 PolarHBondContact O-N 3.39Å; Q261-D263 PolarHBondContact O-N 2.93Å
264	F	95.2	Very high	97.3	Very high	9 Å²	9	15.8 Å²	15.8	4%	0.039	8%	0.082	C	C	.	.	I	π-helix	trans	-123.7	-8.2	-167.1	-49.1	-46.7	0	0	0	114.3	T211 P227 W231 M234 L260 I266	T211-F264 HydrophobicContact CG2-CE2 3.75Å; T211-F264 HydrophobicContact CG2-CZ 4.06Å; P227-F264 HydrophobicContact CB-CE1 3.82Å; P227-F264 HydrophobicContact CB-CE2 4.41Å; P227-F264 HydrophobicContact CB-CZ 3.46Å; P227-F264 VanDerWaalsContact CB-CZ 3.46Å; P227-F264 HydrophobicContact CG-CZ 4.16Å; W231-F264 AromaticContact CD2-CE1 3.94Å; W231-F264 HydrophobicContact CD2-CE1 3.94Å; W231-F264 AromaticContact CE3-CE1 3.65Å; W231-F264 HydrophobicContact CE3-CE1 3.65Å; W231-F264 HydrophobicContact CE3-CZ 4.33Å; W231-F264 AromaticContact CH2-CE1 3.87Å; W231-F264 HydrophobicContact CH2-CE1 3.87Å; W231-F264 HydrophobicContact CH2-CZ 4.21Å; W231-F264 HydrophobicContact CZ2-CE1 4.18Å; W231-F264 AromaticContact CZ3-CE1 3.61Å; W231-F264 HydrophobicContact CZ3-CE1 3.61Å; W231-F264 AromaticContact CZ3-CZ 3.93Å; W231-F264 HydrophobicContact CZ3-CZ 3.93Å; M234-F264 HydrophobicContact CB-CB 3.7Å; M234-F264 HydrophobicContact CB-CD1 3.52Å; M234-F264 HydrophobicContact CB-CD2 4.25Å; M234-F264 HydrophobicContact CB-CE1 4.23Å; M234-F264 HydrophobicContact CB-CG 3.55Å; M234-F264 HydrophobicContact CE-CD2 4.31Å; M234-F264 HydrophobicContact CE-CE2 4.18Å; M234-F264 HydrophobicContact CE-CZ 4.47Å; M234-F264 HydrophobicContact CG-CD1 3.64Å; M234-F264 HydrophobicContact CG-CD2 4.49Å; M234-F264 HydrophobicContact CG-CE1 3.82Å; M234-F264 HydrophobicContact CG-CG 4.02Å; M234-F264 HydrophobicContact CG-CZ 4.32Å; L260-F264 HydrophobicContact CD2-CD2 4.41Å; L260-F264 CarbonylContact O-C 3.57Å; L260-F264 PolarHBondContact O-N 2.79Å; L260-F264 VanDerWaalsContact O-N 3.12Å; F264-I266 HydrophobicContact CB-CB 4.43Å; F264-I266 HydrophobicContact CB-CD1 3.56Å; F264-I266 HydrophobicContact CB-CG1 3.69Å; F264-I266 HydrophobicContact CD2-CD1 4.02Å; F264-I266 HydrophobicContact CG-CD1 4.14Å; F264-I266 PolarHBondContact O-N 2.86Å
265	S	94.4	Very high	97.3	Very high	5 Å²	5	16.3 Å²	16.3	4%	0.035	8%	0.08	C	C	.	.			trans	51.4	41.6	-168.3	-62.6	0	0	0	0	112.3	K112 L113 N238 L260 Q261	K112-S265 WeakPolarHBondContact CA-OG 3.28Å; K112-S265 WeakPolarHBondContact CB-OG 3.03Å; K112-S265 PolarHBondContact N-OG 3.39Å; L113-S265 VanDerWaalsContact CD1-O 3.32Å; L113-S265 WeakPolarHBondContact CD1-O 3.43Å; N238-S265 PolarHBondContact ND2-O 2.97Å; L260-S265 PolarHBondContact O-N 3.34Å; Q261-S265 WeakPolarHBondContact O-CA 3.48Å; Q261-S265 PolarHBondContact O-N 3.08Å; Q261-S265 VanDerWaalsContact O-N 3.07Å
266	I	97.4	Very high	97.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.066	C	C	.	.			trans	-92.8	139.3	171.7	-64.3	165.9	0	0	0	109	M214 M234 L237 N238 F241 L260 F264	M214-I266 HydrophobicContact CE-CD1 4.12Å; M234-I266 HydrophobicContact CB-CD1 4.2Å; M234-I266 VanDerWaalsContact O-CD1 3.29Å; M234-I266 WeakPolarHBondContact O-CD1 3.25Å; L237-I266 HydrophobicContact CB-CD1 3.96Å; L237-I266 HydrophobicContact CB-CG1 4.45Å; L237-I266 HydrophobicContact CD1-CD1 4Å; N238-I266 WeakPolarHBondContact OD1-CA 3.48Å; F241-I266 HydrophobicContact CB-CG2 4.15Å; F241-I266 HydrophobicContact CD1-CG2 3.43Å; F241-I266 VanDerWaalsContact CD1-CG2 3.43Å; F241-I266 HydrophobicContact CE1-CG2 4.08Å; F241-I266 HydrophobicContact CG-CG2 3.98Å; L260-I266 CarbonylContact C-O 3.56Å; L260-I266 HydrophobicContact CB-CB 4.03Å; L260-I266 HydrophobicContact CB-CG2 4.38Å; L260-I266 WeakPolarHBondContact CB-O 3.39Å; L260-I266 HydrophobicContact CD1-CG2 4.31Å; L260-I266 HydrophobicContact CD2-CB 4.14Å; L260-I266 HydrophobicContact CD2-CD1 4.12Å; L260-I266 HydrophobicContact CD2-CG2 4.13Å; L260-I266 PolarHBondContact O-N 3.25Å; F264-I266 HydrophobicContact CB-CB 4.43Å; F264-I266 HydrophobicContact CB-CD1 3.56Å; F264-I266 HydrophobicContact CB-CG1 3.69Å; F264-I266 HydrophobicContact CD2-CD1 4.02Å; F264-I266 HydrophobicContact CG-CD1 4.14Å; F264-I266 PolarHBondContact O-N 2.86Å
267	Y	98.1	Very high	97.4	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.012	6%	0.064	C	C	.	.			trans	-125.8	159.3	177.4	-63.4	-82.9	0	0	0	110.1	P111 L113 H140 P141 Y142 N238 F241 T242 Q261	P111-Y267 WeakPolarHBondContact CB-OH 3.2Å; L113-Y267 HydrophobicContact CD1-CD2 4.09Å; L113-Y267 HydrophobicContact CD1-CE2 4.05Å; H140-Y267 AromaticContact CD2-CE1 3.94Å; H140-Y267 AromaticContact CE1-CD1 3.37Å; H140-Y267 WeakPolarHBondContact CE1-CD1 3.38Å; H140-Y267 AromaticContact CE1-CE1 3.92Å; H140-Y267 AromaticContact NE2-CD1 3.18Å; H140-Y267 WeakPolarHBondContact NE2-CD1 3.43Å; H140-Y267 AromaticContact NE2-CE1 3.52Å; P141-Y267 HydrophobicContact CB-CE2 4.24Å; P141-Y267 VanDerWaalsContact CD-CZ 3.45Å; P141-Y267 WeakPolarHBondContact CD-OH 3.28Å; P141-Y267 HydrophobicContact CG-CE1 4.1Å; P141-Y267 HydrophobicContact CG-CE2 3.83Å; P141-Y267 WeakPolarHBondContact CG-OH 3.2Å; Y142-Y267 HydrophobicContact CD2-CD1 4.41Å; Y142-Y267 AromaticContact CD2-CD2 3.75Å; Y142-Y267 HydrophobicContact CD2-CD2 3.75Å; Y142-Y267 AromaticContact CD2-CG 3.62Å; Y142-Y267 HydrophobicContact CD2-CG 3.62Å; Y142-Y267 AromaticContact CE2-CD2 3.81Å; Y142-Y267 HydrophobicContact CE2-CD2 3.81Å; Y142-Y267 HydrophobicContact CE2-CG 4.08Å; N238-Y267 PolarHBondContact OD1-N 3Å; F241-Y267 VanDerWaalsContact CB-O 3.28Å; F241-Y267 WeakPolarHBondContact CB-O 3.39Å; T242-Y267 WeakPolarHBondContact CG2-O 3.46Å; Q261-Y267 HydrophobicContact CB-CE1 4.46Å; Q261-Y267 HydrophobicContact CG-CD1 3.82Å; Q261-Y267 HydrophobicContact CG-CE1 3.39Å
268	V	98.7	Very high	97.4	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.024	6%	0.063	C	C	.	.			trans	-125.4	124	-177.2	-167.5	0	0	0	0	110.2	F241 K248 F250 L260 M271 C362	F241-V268 HydrophobicContact CD1-CG2 4.01Å; F241-V268 WeakPolarHBondContact O-CA 3.26Å; K248-V268 HydrophobicContact CB-CG1 3.72Å; K248-V268 HydrophobicContact CG-CG1 4.02Å; F250-V268 HydrophobicContact CE2-CG1 4.31Å; F250-V268 HydrophobicContact CE2-CG2 4.26Å; F250-V268 HydrophobicContact CZ-CG2 4.35Å; L260-V268 HydrophobicContact CD1-CG2 3.89Å; V268-M271 HydrophobicContact CG1-CB 3.79Å; V268-M271 HydrophobicContact CG1-CG 3.98Å; V268-C362 WeakPolarHBondContact O-CB 3.48Å; V268-C362 PolarHBondContact O-SG 2.91Å; V268-C362 VanDerWaalsContact O-SG 3.39Å
269	V	98.6	Very high	97.5	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.024	6%	0.059	C	C	.	.	S	Bend	trans	-118.8	139.5	172.2	-179.9	0	0	0	0	108.1	Y142 E145 L146 F149 F241 T242 P244 K248	Y142-V269 HydrophobicContact CD1-CG2 3.99Å; Y142-V269 HydrophobicContact CG-CG2 4.41Å; E145-V269 HydrophobicContact CB-CG2 4.49Å; L146-V269 HydrophobicContact CD2-CB 4.49Å; L146-V269 HydrophobicContact CD2-CG2 4.21Å; L146-V269 HydrophobicContact CG-CG2 4.34Å; F149-V269 HydrophobicContact CD2-CG1 4.25Å; F149-V269 HydrophobicContact CG-CG1 4.41Å; F241-V269 PolarHBondContact O-N 2.95Å; T242-V269 HydrophobicContact CG2-CG2 4.36Å; P244-V269 HydrophobicContact CB-CG1 4.21Å; K248-V269 WeakPolarHBondContact CE-O 3.46Å; K248-V269 PolarHBondContact NZ-O 3.24Å
270	N	98.4	Very high	97.5	Very high	2 Å²	2	11 Å²	11	1%	0.011	5%	0.053	C	C	.	.	S	Bend	trans	61.5	70.3	-169.9	-170.7	8.4	0	0	0	112.6	F149 P244 I246 K248	F149-N270 HydrophobicContact CE1-CB 3.97Å; F149-N270 HydrophobicContact CE2-CB 3.7Å; F149-N270 HydrophobicContact CZ-CB 3.36Å; F149-N270 WeakPolarHBondContact CZ-OD1 3.31Å; P244-N270 WeakPolarHBondContact O-CB 3.49Å; P244-N270 PolarHBondContact O-ND2 3.38Å; I246-N270 PolarHBondContact O-ND2 3.3Å; K248-N270 WeakPolarHBondContact CE-O 3.39Å; K248-N270 PolarHBondContact N-O 3.45Å
271	M	98.8	Very high	97.5	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.02	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.3	178.7	-167.6	-87.7	-78.6	0	0	110.3	K248 F250 A253 V268 D273 F355 S358 V361 C362	K248-M271 CarbonylContact O-C 3.58Å; K248-M271 VanDerWaalsContact O-CA 3.26Å; K248-M271 WeakPolarHBondContact O-CA 3.45Å; K248-M271 WeakPolarHBondContact O-CG 3.43Å; F250-M271 HydrophobicContact CB-SD 4.28Å; F250-M271 HydrophobicContact CD2-CG 3.76Å; F250-M271 HydrophobicContact CD2-SD 4.35Å; F250-M271 HydrophobicContact CE2-CG 4.32Å; A253-M271 HydrophobicContact CB-CE 4.01Å; V268-M271 HydrophobicContact CG1-CB 3.79Å; V268-M271 HydrophobicContact CG1-CG 3.98Å; M271-D273 HydrophobicContact CE-CB 3.88Å; M271-D273 HydrophobicContact SD-CB 3.58Å; M271-D273 VanDerWaalsContact SD-CB 3.58Å; M271-D273 PolarHBondContact SD-N 2.55Å; M271-F355 WeakPolarHBondContact O-CD1 3.19Å; M271-S358 WeakPolarHBondContact CE-O 3.27Å; M271-S358 WeakPolarHBondContact O-CB 3.16Å; M271-V361 HydrophobicContact CE-CB 3.98Å; M271-V361 HydrophobicContact CE-CG1 4.06Å; M271-C362 WeakPolarHBondContact CB-SG 3.39Å
272	F	98.8	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	110.4	167.3	-173.1	-83.2	0	0	0	109.9	V247 K248 V249 F250 T274 A277 Y333 L336 L340 L351 A354 F355	V247-F272 HydrophobicContact CG1-CB 3.9Å; K248-F272 PolarHBondContact O-N 3.09Å; V249-F272 WeakPolarHBondContact CA-O 3.4Å; F250-F272 PolarHBondContact N-O 3.45Å; F272-T274 HydrophobicContact CD1-CG2 4.07Å; F272-T274 HydrophobicContact CE1-CG2 4Å; F272-A277 HydrophobicContact CE1-CB 3.7Å; F272-A277 HydrophobicContact CE2-CB 4.44Å; F272-A277 HydrophobicContact CZ-CB 3.49Å; F272-A277 VanDerWaalsContact CZ-CB 3.49Å; F272-Y333 HydrophobicContact CB-CD2 4.05Å; F272-Y333 HydrophobicContact CB-CE2 3.85Å; F272-Y333 AromaticContact CD1-CD2 3.36Å; F272-Y333 HydrophobicContact CD1-CD2 3.36Å; F272-Y333 AromaticContact CD1-CE2 3.89Å; F272-Y333 HydrophobicContact CD1-CE2 3.89Å; F272-Y333 HydrophobicContact CD1-CG 4.38Å; F272-Y333 AromaticContact CD2-CD2 3.99Å; F272-Y333 HydrophobicContact CD2-CD2 3.99Å; F272-Y333 AromaticContact CD2-CE2 3.67Å; F272-Y333 HydrophobicContact CD2-CE2 3.67Å; F272-Y333 AromaticContact CE1-CD2 3.66Å; F272-Y333 HydrophobicContact CE1-CD2 3.66Å; F272-Y333 HydrophobicContact CE1-CE2 4.31Å; F272-Y333 HydrophobicContact CE2-CD2 4.25Å; F272-Y333 HydrophobicContact CE2-CE2 4.11Å; F272-Y333 AromaticContact CG-CD2 3.52Å; F272-Y333 HydrophobicContact CG-CD2 3.52Å; F272-Y333 AromaticContact CG-CE2 3.51Å; F272-Y333 HydrophobicContact CG-CE2 3.51Å; F272-Y333 HydrophobicContact CZ-CD2 4.08Å; F272-Y333 HydrophobicContact CZ-CE2 4.4Å; F272-L336 HydrophobicContact CE1-CB 4.42Å; F272-L336 HydrophobicContact CZ-CB 4.36Å; F272-L340 HydrophobicContact CE2-CD1 4.36Å; F272-L340 HydrophobicContact CZ-CD1 4.11Å; F272-L351 HydrophobicContact CE2-CD1 3.68Å; F272-L351 HydrophobicContact CZ-CD1 4.5Å; F272-A354 HydrophobicContact CE2-CB 4.13Å; F272-F355 HydrophobicContact CB-CE1 4.04Å; F272-F355 HydrophobicContact CB-CZ 4.47Å; F272-F355 HydrophobicContact CD2-CD1 4.33Å; F272-F355 HydrophobicContact CD2-CD2 4.42Å; F272-F355 AromaticContact CD2-CE1 3.94Å; F272-F355 HydrophobicContact CD2-CE1 3.94Å; F272-F355 HydrophobicContact CD2-CE2 4.03Å; F272-F355 AromaticContact CD2-CZ 3.78Å; F272-F355 HydrophobicContact CD2-CZ 3.78Å; F272-F355 HydrophobicContact CE2-CE2 4.47Å
273	D	98.9	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	111.8	176.7	-169.8	-26.8	0	0	0	109.7	G252 A253 M271 Y275 Q276 A277 S358	G252-D273 WeakPolarHBondContact CA-OD2 3.22Å; G252-D273 PolarHBondContact N-OD1 2.97Å; G252-D273 PolarHBondContact N-OD2 2.97Å; A253-D273 PolarHBondContact N-OD2 3.25Å; M271-D273 HydrophobicContact CE-CB 3.88Å; M271-D273 HydrophobicContact SD-CB 3.58Å; M271-D273 VanDerWaalsContact SD-CB 3.58Å; M271-D273 PolarHBondContact SD-N 2.55Å; D273-Y275 PolarHBondContact O-N 3.28Å; D273-Y275 WeakPolarHBondContact OD1-CA 3.2Å; D273-Y275 WeakPolarHBondContact OD1-CB 3.29Å; D273-Y275 PolarHBondContact OD1-N 2.79Å; D273-Q276 HydrophobicContact CB-CB 3.99Å; D273-Q276 HydrophobicContact CB-CG 3.72Å; D273-Q276 WeakPolarHBondContact O-CB 3.45Å; D273-Q276 PolarHBondContact O-N 3.27Å; D273-A277 PolarHBondContact O-N 3.47Å; D273-S358 PolarHBondContact N-OG 2.69Å
274	T	98.8	Very high	97.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-25.9	179.3	57.2	0	0	0	0	113.2	V249 F250 H251 F272 L278 L291 L329 L336	V249-T274 HydrophobicContact CG1-CG2 3.84Å; F250-T274 PolarHBondContact O-N 2.82Å; F250-T274 PolarHBondContact O-OG1 2.83Å; H251-T274 WeakPolarHBondContact CA-OG1 3.49Å; H251-T274 WeakPolarHBondContact CB-OG1 3.45Å; H251-T274 PolarHBondContact ND1-OG1 2.8Å; F272-T274 HydrophobicContact CD1-CG2 4.07Å; F272-T274 HydrophobicContact CE1-CG2 4Å; T274-L278 WeakPolarHBondContact O-CG 3.29Å; T274-L278 PolarHBondContact O-N 3.3Å; T274-L291 HydrophobicContact CG2-CD2 4.2Å; T274-L329 HydrophobicContact CG2-CD1 3.89Å; T274-L336 HydrophobicContact CG2-CD1 3.81Å
275	Y	98.8	Very high	97.8	Very high	80 Å²	80	30.4 Å²	30.4	31%	0.314	14%	0.144	S	C	.	.	H	α-helix	trans	-67.3	-43.1	170.4	174.5	-89.8	0	0	0	111.2	D273 L278 C279 R286	D273-Y275 PolarHBondContact O-N 3.28Å; D273-Y275 WeakPolarHBondContact OD1-CA 3.2Å; D273-Y275 WeakPolarHBondContact OD1-CB 3.29Å; D273-Y275 PolarHBondContact OD1-N 2.79Å; Y275-L278 PolarHBondContact O-N 2.81Å; Y275-C279 VanDerWaalsContact CE1-SG 3.51Å; Y275-C279 PolarHBondContact O-N 2.98Å; Y275-C279 PolarHBondContact O-SG 3.05Å; Y275-R286 HydrophobicContact CD2-CB 3.76Å; Y275-R286 WeakPolarHBondContact CD2-O 3.45Å; Y275-R286 HydrophobicContact CE2-CB 3.6Å; Y275-R286 HydrophobicContact CE2-CG 4.44Å
276	Q	98.7	Very high	97.9	Very high	27 Å²	27	32.8 Å²	32.8	13%	0.126	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-40.2	176.6	-63.6	-60.4	-25.6	0	0	111.2	D273 L278 C279 V280 R357 V361	D273-Q276 HydrophobicContact CB-CB 3.99Å; D273-Q276 HydrophobicContact CB-CG 3.72Å; D273-Q276 WeakPolarHBondContact O-CB 3.45Å; D273-Q276 PolarHBondContact O-N 3.27Å; Q276-L278 VanDerWaalsContact C-N 3.35Å; Q276-L278 PolarHBondContact O-N 3.41Å; Q276-C279 CarbonylContact O-C 2.79Å; Q276-C279 WeakPolarHBondContact O-CA 3.46Å; Q276-C279 WeakPolarHBondContact O-CB 3.32Å; Q276-C279 PolarHBondContact O-N 2.79Å; Q276-V280 WeakPolarHBondContact O-CG2 3.46Å; Q276-V280 PolarHBondContact O-N 3.49Å; Q276-R357 HydrophobicContact CB-CB 4.06Å; Q276-R357 HydrophobicContact CG-CB 4.18Å; Q276-V361 HydrophobicContact CG-CG2 4.39Å
277	A	98.4	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.5	-44.2	173.6	0	0	0	0	0	112.4	F272 D273 C279 V280 L281 L336 L340 A354	F272-A277 HydrophobicContact CE1-CB 3.7Å; F272-A277 HydrophobicContact CE2-CB 4.44Å; F272-A277 HydrophobicContact CZ-CB 3.49Å; F272-A277 VanDerWaalsContact CZ-CB 3.49Å; D273-A277 PolarHBondContact O-N 3.47Å; A277-C279 VanDerWaalsContact C-N 3.3Å; A277-C279 PolarHBondContact O-N 3.07Å; A277-V280 PolarHBondContact O-N 3.45Å; A277-L281 PolarHBondContact O-N 3.33Å; A277-L336 HydrophobicContact CB-CB 4.34Å; A277-L336 HydrophobicContact CB-CD1 4.1Å; A277-L340 HydrophobicContact CB-CD1 3.96Å; A277-A354 HydrophobicContact CB-CB 4.34Å
278	L	98.4	Very high	97.8	Very high	2 Å²	2	36 Å²	36	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-35.1	173.1	-75.3	164.7	0	0	0	112.6	T274 Y275 Q276 D282 R283 R286 L291 L336	T274-L278 WeakPolarHBondContact O-CG 3.29Å; T274-L278 PolarHBondContact O-N 3.3Å; Y275-L278 PolarHBondContact O-N 2.81Å; Q276-L278 VanDerWaalsContact C-N 3.35Å; Q276-L278 PolarHBondContact O-N 3.41Å; L278-D282 PolarHBondContact O-N 2.88Å; L278-R283 HydrophobicContact CD2-CB 3.83Å; L278-R283 PolarHBondContact O-N 2.8Å; L278-R286 HydrophobicContact CB-CG 4.22Å; L278-R286 HydrophobicContact CD1-CB 4.46Å; L278-L291 HydrophobicContact CD1-CB 4.4Å; L278-L291 HydrophobicContact CD1-CD1 4.12Å; L278-L291 HydrophobicContact CD1-CD2 4.43Å; L278-L291 HydrophobicContact CD2-CD1 4.35Å; L278-L291 HydrophobicContact CG-CD1 4.44Å; L278-L336 HydrophobicContact CD2-CD2 3.88Å; L278-L336 HydrophobicContact CG-CD1 4.48Å; L278-L336 HydrophobicContact CG-CD2 4.08Å
279	C	98.2	Very high	97.7	Very high	24 Å²	24	38.6 Å²	38.6	16%	0.162	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-36.7	173.5	-66.6	0	0	0	0	112.4	Y275 Q276 A277 D282 R286	Y275-C279 VanDerWaalsContact CE1-SG 3.51Å; Y275-C279 PolarHBondContact O-N 2.98Å; Y275-C279 PolarHBondContact O-SG 3.05Å; Q276-C279 CarbonylContact O-C 2.79Å; Q276-C279 WeakPolarHBondContact O-CA 3.46Å; Q276-C279 WeakPolarHBondContact O-CB 3.32Å; Q276-C279 PolarHBondContact O-N 2.79Å; A277-C279 VanDerWaalsContact C-N 3.3Å; A277-C279 PolarHBondContact O-N 3.07Å; C279-D282 PolarHBondContact O-N 2.8Å; C279-R286 WeakPolarHBondContact SG-CD 3.35Å
280	V	97.8	Very high	97.6	Very high	19 Å²	19	41 Å²	41	12%	0.115	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-39.6	176.2	173.1	0	0	0	0	111.2	Q276 A277 D282 L340 L350 L353 A354	Q276-V280 WeakPolarHBondContact O-CG2 3.46Å; Q276-V280 PolarHBondContact O-N 3.49Å; A277-V280 PolarHBondContact O-N 3.45Å; V280-D282 PolarHBondContact O-N 2.92Å; V280-L340 HydrophobicContact CB-CD2 4.06Å; V280-L340 HydrophobicContact CG1-CD2 3.58Å; V280-L350 HydrophobicContact CG1-CB 3.89Å; V280-L350 HydrophobicContact CG1-CD2 3.88Å; V280-L350 HydrophobicContact CG1-CG 4.38Å; V280-L353 HydrophobicContact CG1-CD2 4.2Å; V280-L353 HydrophobicContact CG2-CB 4.48Å; V280-L353 HydrophobicContact CG2-CD2 4.14Å; V280-L353 HydrophobicContact CG2-CG 3.97Å; V280-A354 HydrophobicContact CG2-CB 4.31Å
281	L	96.7	Very high	97.6	Very high	34 Å²	34	41 Å²	41	18%	0.178	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.9	173.8	-70.7	171.6	0	0	0	113.9	A277 R283 L336 D339 L340 V343	A277-L281 PolarHBondContact O-N 3.33Å; L281-R283 HydrophobicContact CB-CB 4.46Å; L281-R283 HydrophobicContact CB-CG 3.88Å; L281-R283 PolarHBondContact O-N 3.07Å; L281-R283 VanDerWaalsContact O-N 3.16Å; L281-L336 HydrophobicContact CD1-CD2 3.74Å; L281-D339 HydrophobicContact CD1-CB 4.02Å; L281-L340 HydrophobicContact CD1-CD2 4.35Å; L281-L340 HydrophobicContact CD1-CG 4.16Å; L281-L340 HydrophobicContact CD2-CD2 3.67Å; L281-L340 HydrophobicContact CD2-CG 4.01Å; L281-L340 HydrophobicContact CG-CD2 3.6Å; L281-L340 HydrophobicContact CG-CG 3.95Å; L281-V343 HydrophobicContact CD2-CG2 3.93Å
282	D	96.2	Very high	97.5	Very high	113 Å²	113	40.9 Å²	40.9	60%	0.604	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	46	38.1	-168.1	-163.7	30.6	0	0	0	114.4	L278 C279 V280 R286	L278-D282 PolarHBondContact O-N 2.88Å; C279-D282 PolarHBondContact O-N 2.8Å; V280-D282 PolarHBondContact O-N 2.92Å; D282-R286 IonicContact OD1-NH2 3.85Å; D282-R286 PolarHBondContact OD1-NH2 3.12Å
283	R	95.9	Very high	97.4	Very high	63 Å²	63	42.5 Å²	42.5	24%	0.238	21%	0.205	C	C	.	.			trans	-88.3	139.6	177.6	-71.4	176.7	111.9	158.7	7.6	110.6	L278 L281 R286 Y294 Y295 D339	L278-R283 HydrophobicContact CD2-CB 3.83Å; L278-R283 PolarHBondContact O-N 2.8Å; L281-R283 HydrophobicContact CB-CB 4.46Å; L281-R283 HydrophobicContact CB-CG 3.88Å; L281-R283 PolarHBondContact O-N 3.07Å; L281-R283 VanDerWaalsContact O-N 3.16Å; R283-R286 WeakPolarHBondContact O-CG 3.46Å; R283-R286 PolarHBondContact O-NE 3.43Å; R283-R286 VanDerWaalsContact O-NE 3.1Å; R283-Y294 PolarHBondContact NH2-OH 3.27Å; R283-Y295 PolarHBondContact NH1-OH 3.21Å; R283-D339 IonicContact CZ-OD2 3.76Å; R283-D339 IonicContact NH1-OD2 3.75Å; R283-D339 PolarHBondContact NH1-OD2 2.95Å
284	R	96	Very high	97.3	Very high	182 Å²	182	48 Å²	48	69%	0.687	23%	0.227	S	C	*	.	S	Bend	trans	-132.8	147.4	172.5	-60.9	-172	-172.9	-151.3	3.4	109.3
285	P	96.9	Very high	97.1	Very high	73 Å²	73	49 Å²	49	47%	0.474	23%	0.23	S	C	.	.			cis	-70.6	171.2	-5.4	26.1	-28.2	0	0	0	113	Y290	P285-Y290 HydrophobicContact CB-CG 4.44Å; P285-Y290 HydrophobicContact CG-CD1 4.07Å; P285-Y290 HydrophobicContact CG-CD2 3.57Å; P285-Y290 HydrophobicContact CG-CE2 4.12Å; P285-Y290 HydrophobicContact CG-CG 3.52Å; P285-Y290 WeakPolarHBondContact O-CD1 3.3Å; P285-Y290 VanDerWaalsContact O-CE1 3.28Å; P285-Y290 WeakPolarHBondContact O-CE1 3.46Å
286	R	97.6	Very high	96.9	Very high	55 Å²	55	46.5 Å²	46.5	21%	0.208	22%	0.223	C	C	.	.			trans	-118.1	17.1	-172.5	-58.6	-175	-170.4	127.9	-3.4	114.7	H251 Y275 L278 C279 D282 R283	H251-R286 PolarHBondContact CE1-O 3.07Å; H251-R286 VanDerWaalsContact CE1-O 3.27Å; H251-R286 PolarHBondContact NE2-O 3.25Å; Y275-R286 HydrophobicContact CD2-CB 3.76Å; Y275-R286 WeakPolarHBondContact CD2-O 3.45Å; Y275-R286 HydrophobicContact CE2-CB 3.6Å; Y275-R286 HydrophobicContact CE2-CG 4.44Å; L278-R286 HydrophobicContact CB-CG 4.22Å; L278-R286 HydrophobicContact CD1-CB 4.46Å; C279-R286 WeakPolarHBondContact SG-CD 3.35Å; D282-R286 IonicContact OD1-NH2 3.85Å; D282-R286 PolarHBondContact OD1-NH2 3.12Å; R283-R286 WeakPolarHBondContact O-CG 3.46Å; R283-R286 PolarHBondContact O-NE 3.43Å; R283-R286 VanDerWaalsContact O-NE 3.1Å
287	S	96.9	Very high	96.7	Very high	50 Å²	50	48 Å²	48	35%	0.35	25%	0.245	S	C	.	.			trans	-82.7	154.4	179.6	57.7	0	0	0	0	111.9	F289 Y290 L291	S287-F289 VanDerWaalsContact C-N 3.29Å; S287-F289 PolarHBondContact O-N 2.89Å; S287-Y290 PolarHBondContact O-N 3.31Å; S287-Y290 VanDerWaalsContact O-N 3.08Å; S287-Y290 PolarHBondContact OG-N 2.95Å; S287-L291 PolarHBondContact O-N 2.95Å
288	L	96.9	Very high	96.6	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-45.2	173.6	-178.4	59.2	0	0	0	111.2	H251 Y290 L291 V292 L300 D325 L329	H251-L288 HydrophobicContact CB-CD1 4.1Å; H251-L288 PolarHBondContact CE1-N 3.2Å; H251-L288 PolarHBondContact NE2-N 2.97Å; L288-Y290 VanDerWaalsContact C-N 3.28Å; L288-Y290 PolarHBondContact O-N 2.79Å; L288-L291 HydrophobicContact CD1-CD2 4.5Å; L288-L291 WeakPolarHBondContact O-CB 3.36Å; L288-L291 PolarHBondContact O-N 3.18Å; L288-L291 VanDerWaalsContact O-N 3.08Å; L288-V292 HydrophobicContact CD1-CG2 3.87Å; L288-V292 HydrophobicContact CG-CG2 4.27Å; L288-V292 WeakPolarHBondContact O-CG2 3.34Å; L288-V292 PolarHBondContact O-N 3.42Å; L288-L300 HydrophobicContact CD2-CD1 4.35Å; L288-L300 HydrophobicContact CG-CD1 4.02Å; L288-D325 HydrophobicContact CD2-CB 4.08Å; L288-D325 WeakPolarHBondContact CD2-O 3.3Å; L288-D325 WeakPolarHBondContact CD2-OD1 3.47Å; L288-L329 HydrophobicContact CD1-CD1 3.8Å
289	F	96.3	Very high	96.4	Very high	58 Å²	58	55 Å²	55	25%	0.254	28%	0.283	S	S	.	.	H	α-helix	trans	-51.1	-45.8	174.2	173.3	-90.2	0	0	0	112.9	S287 S293 L299 L300 K302	S287-F289 VanDerWaalsContact C-N 3.29Å; S287-F289 PolarHBondContact O-N 2.89Å; F289-S293 WeakPolarHBondContact O-CB 3.46Å; F289-S293 PolarHBondContact O-N 3.49Å; F289-L299 HydrophobicContact CE2-CB 4.29Å; F289-L299 HydrophobicContact CE2-CD2 4.28Å; F289-L299 HydrophobicContact CZ-CD2 3.83Å; F289-L300 HydrophobicContact CD2-CB 3.96Å; F289-L300 VanDerWaalsContact CD2-O 3.28Å; F289-L300 WeakPolarHBondContact CD2-O 3.46Å; F289-L300 WeakPolarHBondContact CE2-O 3.39Å; F289-K302 VanDerWaalsContact CB-CE 3.45Å; F289-K302 VanDerWaalsContact CD1-CE 3.46Å; F289-K302 HydrophobicContact CD2-CD 4.31Å; F289-K302 HydrophobicContact CD2-CG 4.23Å; F289-K302 HydrophobicContact CG-CD 4.45Å
290	Y	96.3	Very high	96.2	Very high	55 Å²	55	54.5 Å²	54.5	22%	0.216	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-45.8	178.1	165.4	-102.4	0	0	0	111	P285 S287 L288 V292 S293 Y294	P285-Y290 HydrophobicContact CB-CG 4.44Å; P285-Y290 HydrophobicContact CG-CD1 4.07Å; P285-Y290 HydrophobicContact CG-CD2 3.57Å; P285-Y290 HydrophobicContact CG-CE2 4.12Å; P285-Y290 HydrophobicContact CG-CG 3.52Å; P285-Y290 WeakPolarHBondContact O-CD1 3.3Å; P285-Y290 VanDerWaalsContact O-CE1 3.28Å; P285-Y290 WeakPolarHBondContact O-CE1 3.46Å; S287-Y290 PolarHBondContact O-N 3.31Å; S287-Y290 VanDerWaalsContact O-N 3.08Å; S287-Y290 PolarHBondContact OG-N 2.95Å; L288-Y290 VanDerWaalsContact C-N 3.28Å; L288-Y290 PolarHBondContact O-N 2.79Å; Y290-V292 VanDerWaalsContact C-N 3.34Å; Y290-V292 PolarHBondContact O-N 3.04Å; Y290-S293 PolarHBondContact O-N 3.25Å; Y290-Y294 HydrophobicContact CE2-CD2 4.35Å; Y290-Y294 WeakPolarHBondContact O-CB 3.44Å; Y290-Y294 PolarHBondContact O-N 3.35Å
291	L	97.3	Very high	95.7	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-47.8	-178.2	179.1	64.5	0	0	0	111.6	T274 L278 S287 L288 Y295 C332 L336	T274-L291 HydrophobicContact CG2-CD2 4.2Å; L278-L291 HydrophobicContact CD1-CB 4.4Å; L278-L291 HydrophobicContact CD1-CD1 4.12Å; L278-L291 HydrophobicContact CD1-CD2 4.43Å; L278-L291 HydrophobicContact CD2-CD1 4.35Å; L278-L291 HydrophobicContact CG-CD1 4.44Å; S287-L291 PolarHBondContact O-N 2.95Å; L288-L291 HydrophobicContact CD1-CD2 4.5Å; L288-L291 WeakPolarHBondContact O-CB 3.36Å; L288-L291 PolarHBondContact O-N 3.18Å; L288-L291 VanDerWaalsContact O-N 3.08Å; L291-Y295 HydrophobicContact CD1-CD2 3.64Å; L291-Y295 HydrophobicContact CD1-CE2 3.39Å; L291-Y295 HydrophobicContact CG-CD2 4.39Å; L291-Y295 WeakPolarHBondContact O-CD2 3.27Å; L291-Y295 PolarHBondContact O-N 2.94Å; L291-C332 HydrophobicContact CD1-CB 4.26Å; L291-C332 HydrophobicContact CD2-CB 3.82Å; L291-C332 HydrophobicContact CG-CB 3.83Å; L291-L336 HydrophobicContact CD1-CD1 3.67Å; L291-L336 HydrophobicContact CD1-CD2 4.2Å; L291-L336 HydrophobicContact CD1-CG 4.01Å; L291-L336 HydrophobicContact CD2-CD1 4.06Å
292	V	97.3	Very high	95.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-50	177.7	173.3	0	0	0	0	110.4	L288 Y290 Y294 Y295 T296 V298 L300 Y328	L288-V292 HydrophobicContact CD1-CG2 3.87Å; L288-V292 HydrophobicContact CG-CG2 4.27Å; L288-V292 WeakPolarHBondContact O-CG2 3.34Å; L288-V292 PolarHBondContact O-N 3.42Å; Y290-V292 VanDerWaalsContact C-N 3.34Å; Y290-V292 PolarHBondContact O-N 3.04Å; V292-Y294 VanDerWaalsContact C-N 3.29Å; V292-Y294 PolarHBondContact O-N 2.96Å; V292-Y295 PolarHBondContact O-N 3.06Å; V292-T296 HydrophobicContact CG1-CG2 4.44Å; V292-T296 WeakPolarHBondContact CG1-OG1 3.44Å; V292-T296 WeakPolarHBondContact O-CB 3.47Å; V292-T296 PolarHBondContact O-N 3.29Å; V292-T296 PolarHBondContact O-OG1 3.44Å; V292-V298 HydrophobicContact CG1-CB 4.14Å; V292-L300 HydrophobicContact CB-CD1 4.13Å; V292-L300 HydrophobicContact CB-CD2 4.48Å; V292-L300 HydrophobicContact CB-CG 4.2Å; V292-L300 HydrophobicContact CG1-CD1 4.45Å; V292-L300 HydrophobicContact CG1-CD2 3.91Å; V292-L300 HydrophobicContact CG1-CG 4.1Å; V292-L300 HydrophobicContact CG2-CD1 3.98Å; V292-Y328 HydrophobicContact CG1-CD1 4.47Å; V292-Y328 HydrophobicContact CG1-CD2 3.73Å; V292-Y328 HydrophobicContact CG1-CE2 4.37Å; V292-Y328 HydrophobicContact CG1-CG 3.79Å; V292-Y328 HydrophobicContact CG2-CD2 4.38Å; V292-Y328 HydrophobicContact CG2-CG 4.47Å
293	S	96.6	Very high	94.9	Very high	35 Å²	35	59.1 Å²	59.1	25%	0.245	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-40.5	179	178.8	0	0	0	0	112.7	F289 Y290 G297 V298 L299	F289-S293 WeakPolarHBondContact O-CB 3.46Å; F289-S293 PolarHBondContact O-N 3.49Å; Y290-S293 PolarHBondContact O-N 3.25Å; S293-G297 VanDerWaalsContact O-CA 3.22Å; S293-G297 WeakPolarHBondContact O-CA 3.18Å; S293-G297 PolarHBondContact O-N 3.06Å; S293-V298 WeakPolarHBondContact CA-O 3.19Å; S293-V298 WeakPolarHBondContact CB-O 3.43Å; S293-V298 PolarHBondContact N-O 3.38Å; S293-L299 WeakPolarHBondContact OG-CD2 3.36Å
294	Y	96.5	Very high	94.6	Very high	116 Å²	116	58.6 Å²	58.6	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-44	-179.3	-179.2	-98.3	0	0	0	112.7	R283 Y290 V292	R283-Y294 PolarHBondContact NH2-OH 3.27Å; Y290-Y294 HydrophobicContact CE2-CD2 4.35Å; Y290-Y294 WeakPolarHBondContact O-CB 3.44Å; Y290-Y294 PolarHBondContact O-N 3.35Å; V292-Y294 VanDerWaalsContact C-N 3.29Å; V292-Y294 PolarHBondContact O-N 2.96Å
295	Y	95.7	Very high	94.1	Very high	21 Å²	21	53.6 Å²	53.6	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-90.3	-31.5	-176	-71.6	-55.6	0	0	0	114.3	R283 L291 V292 Y331 C332 R335 L336 D339	R283-Y295 PolarHBondContact NH1-OH 3.21Å; L291-Y295 HydrophobicContact CD1-CD2 3.64Å; L291-Y295 HydrophobicContact CD1-CE2 3.39Å; L291-Y295 HydrophobicContact CG-CD2 4.39Å; L291-Y295 WeakPolarHBondContact O-CD2 3.27Å; L291-Y295 PolarHBondContact O-N 2.94Å; V292-Y295 PolarHBondContact O-N 3.06Å; Y295-Y331 WeakPolarHBondContact O-CE1 3.49Å; Y295-C332 HydrophobicContact CD2-CB 4.42Å; Y295-R335 HydrophobicContact CD1-CB 3.54Å; Y295-R335 HydrophobicContact CD1-CG 3.76Å; Y295-R335 HydrophobicContact CD2-CB 3.98Å; Y295-R335 HydrophobicContact CE1-CB 3.46Å; Y295-R335 VanDerWaalsContact CE1-CB 3.46Å; Y295-R335 HydrophobicContact CE1-CG 4.16Å; Y295-R335 HydrophobicContact CE2-CB 3.89Å; Y295-R335 HydrophobicContact CG-CB 3.8Å; Y295-R335 HydrophobicContact CG-CG 3.96Å; Y295-L336 HydrophobicContact CE2-CD2 4.11Å; Y295-L336 HydrophobicContact CE2-CG 3.94Å; Y295-L336 WeakPolarHBondContact OH-CD2 3.29Å; Y295-D339 PolarHBondContact OH-OD2 3.3Å
296	T	94.8	Very high	93.7	Very high	27 Å²	27	58.9 Å²	58.9	17%	0.166	32%	0.316	C	S	.	.	H	α-helix	trans	-108.3	-20.9	-173.8	69.4	0	0	0	0	113.5	V292 V298 Y328 Y331	V292-T296 HydrophobicContact CG1-CG2 4.44Å; V292-T296 WeakPolarHBondContact CG1-OG1 3.44Å; V292-T296 WeakPolarHBondContact O-CB 3.47Å; V292-T296 PolarHBondContact O-N 3.29Å; V292-T296 PolarHBondContact O-OG1 3.44Å; T296-V298 PolarHBondContact O-N 2.68Å; T296-V298 WeakPolarHBondContact OG1-CB 3.41Å; T296-V298 PolarHBondContact OG1-N 3.19Å; T296-Y328 HydrophobicContact CG2-CD1 4.21Å; T296-Y331 HydrophobicContact CG2-CD1 3.67Å; T296-Y331 HydrophobicContact CG2-CE1 3.96Å
297	G	94.7	Very high	93.3	Very high	57 Å²	57	57.6 Å²	57.6	59%	0.588	32%	0.317	S	S	*	.			trans	78.2	-4.6	-168.4	0	0	0	0	0	114.5	S293	S293-G297 VanDerWaalsContact O-CA 3.22Å; S293-G297 WeakPolarHBondContact O-CA 3.18Å; S293-G297 PolarHBondContact O-N 3.06Å
298	V	94.9	Very high	93.1	Very high	28 Å²	28	57.4 Å²	57.4	17%	0.17	31%	0.312	C	S	.	.			trans	-77.8	137.4	179.9	179.3	0	0	0	0	110.9	V292 S293 T296 L300 Y328	V292-V298 HydrophobicContact CG1-CB 4.14Å; S293-V298 WeakPolarHBondContact CA-O 3.19Å; S293-V298 WeakPolarHBondContact CB-O 3.43Å; S293-V298 PolarHBondContact N-O 3.38Å; T296-V298 PolarHBondContact O-N 2.68Å; T296-V298 WeakPolarHBondContact OG1-CB 3.41Å; T296-V298 PolarHBondContact OG1-N 3.19Å; V298-L300 HydrophobicContact CG1-CD2 4.37Å; V298-Y328 HydrophobicContact CB-CE1 4.46Å; V298-Y328 HydrophobicContact CG1-CE1 4.44Å; V298-Y328 HydrophobicContact CG1-CE2 4.23Å; V298-Y328 HydrophobicContact CG2-CE1 4.04Å
299	L	94	Very high	93	Very high	122 Å²	122	56.5 Å²	56.5	64%	0.639	31%	0.307	S	S	*	.			trans	-102.2	110.9	175	-62.7	176	0	0	0	109.6	F289 S293	F289-L299 HydrophobicContact CE2-CB 4.29Å; F289-L299 HydrophobicContact CE2-CD2 4.28Å; F289-L299 HydrophobicContact CZ-CD2 3.83Å; S293-L299 WeakPolarHBondContact OG-CD2 3.36Å
300	L	93.9	Very high	92.9	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.068	30%	0.297	C	S	.	.			trans	-70.2	145.1	177.2	-54.1	-176.5	0	0	0	111.6	L288 F289 V292 V298 E324 Y328	L288-L300 HydrophobicContact CD2-CD1 4.35Å; L288-L300 HydrophobicContact CG-CD1 4.02Å; F289-L300 HydrophobicContact CD2-CB 3.96Å; F289-L300 VanDerWaalsContact CD2-O 3.28Å; F289-L300 WeakPolarHBondContact CD2-O 3.46Å; F289-L300 WeakPolarHBondContact CE2-O 3.39Å; V292-L300 HydrophobicContact CB-CD1 4.13Å; V292-L300 HydrophobicContact CB-CD2 4.48Å; V292-L300 HydrophobicContact CB-CG 4.2Å; V292-L300 HydrophobicContact CG1-CD1 4.45Å; V292-L300 HydrophobicContact CG1-CD2 3.91Å; V292-L300 HydrophobicContact CG1-CG 4.1Å; V292-L300 HydrophobicContact CG2-CD1 3.98Å; V298-L300 HydrophobicContact CG1-CD2 4.37Å; L300-E324 HydrophobicContact CD2-CB 3.98Å; L300-Y328 HydrophobicContact CD2-CD2 3.95Å; L300-Y328 HydrophobicContact CD2-CE2 3.71Å
301	D	88.9	Confident	92.8	Very high	74 Å²	74	53.6 Å²	53.6	40%	0.396	30%	0.298	S	S	.	.			trans	-68.5	143.4	167.3	-166.4	-13.8	0	0	0	109.5	S303 Y304 Y321	D301-S303 WeakPolarHBondContact OD1-CB 3.45Å; D301-S303 PolarHBondContact OD1-N 3.19Å; D301-S303 PolarHBondContact OD1-OG 3Å; D301-S303 PolarHBondContact OD2-OG 3.42Å; D301-Y304 WeakPolarHBondContact OD2-CE2 3.37Å; D301-Y321 HydrophobicContact CB-CD2 4.33Å; D301-Y321 WeakPolarHBondContact O-CE2 3.46Å
302	K	88.4	Confident	92.7	Very high	113 Å²	113	57.3 Å²	57.3	49%	0.491	31%	0.312	S	S	.	.			trans	-115.3	-2.2	177	-63.9	-177	-174.2	172.3	0	113.1	F289 Y304 S305	F289-K302 VanDerWaalsContact CB-CE 3.45Å; F289-K302 VanDerWaalsContact CD1-CE 3.46Å; F289-K302 HydrophobicContact CD2-CD 4.31Å; F289-K302 HydrophobicContact CD2-CG 4.23Å; F289-K302 HydrophobicContact CG-CD 4.45Å; K302-Y304 PolarHBondContact O-N 3.19Å; K302-S305 PolarHBondContact O-OG 3.31Å
303	S	88	Confident	92.6	Very high	76 Å²	76	63 Å²	63	53%	0.531	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15	-165.4	62.5	0	0	0	0	114.3	D301	D301-S303 WeakPolarHBondContact OD1-CB 3.45Å; D301-S303 PolarHBondContact OD1-N 3.19Å; D301-S303 PolarHBondContact OD1-OG 3Å; D301-S303 PolarHBondContact OD2-OG 3.42Å
304	Y	89.5	Confident	92.5	Very high	53 Å²	53	62.2 Å²	62.2	21%	0.208	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	3.5	-173.7	-55.3	-69.6	0	0	0	115.4	D301 K302 M306 A307 K317 L318 Y321	D301-Y304 WeakPolarHBondContact OD2-CE2 3.37Å; K302-Y304 PolarHBondContact O-N 3.19Å; Y304-M306 PolarHBondContact O-N 3.09Å; Y304-A307 HydrophobicContact CD1-CB 4.47Å; Y304-A307 WeakPolarHBondContact O-CB 3.23Å; Y304-A307 PolarHBondContact O-N 3Å; Y304-K317 HydrophobicContact CE2-CB 4.26Å; Y304-K317 WeakPolarHBondContact OH-CD 3.33Å; Y304-L318 HydrophobicContact CD1-CD2 3.36Å; Y304-L318 HydrophobicContact CD2-CD2 4.33Å; Y304-L318 HydrophobicContact CE1-CD2 4.07Å; Y304-L318 HydrophobicContact CG-CD2 3.53Å; Y304-Y321 AromaticContact CD2-CD2 3.7Å; Y304-Y321 HydrophobicContact CD2-CD2 3.7Å; Y304-Y321 AromaticContact CD2-CG 3.98Å; Y304-Y321 HydrophobicContact CD2-CG 3.98Å; Y304-Y321 HydrophobicContact CG-CD2 4.28Å; Y304-Y321 HydrophobicContact CG-CG 4.42Å
305	S	85.4	Confident	92.4	Very high	77 Å²	77	59.7 Å²	59.7	54%	0.538	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.8	176.2	54.6	0	0	0	0	115.4	K302	K302-S305 PolarHBondContact O-OG 3.31Å
306	M	87	Confident	92.4	Very high	184 Å²	184	65.1 Å²	65.1	91%	0.906	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	18.1	175.6	-55.5	-169.3	82.6	0	0	112.7	Y304	Y304-M306 PolarHBondContact O-N 3.09Å
307	A	90.6	Very high	92.4	Very high	28 Å²	28	70.7 Å²	70.7	23%	0.231	39%	0.392	C	S	.	.	S	Bend	trans	-68.7	155.3	177.8	0	0	0	0	0	111.4	Y304 W309 L318	Y304-A307 HydrophobicContact CD1-CB 4.47Å; Y304-A307 WeakPolarHBondContact O-CB 3.23Å; Y304-A307 PolarHBondContact O-N 3Å; A307-W309 VanDerWaalsContact O-CD1 3.25Å; A307-W309 PolarHBondContact O-N 3.42Å; A307-W309 VanDerWaalsContact O-N 3.1Å; A307-L318 HydrophobicContact CB-CD2 4.05Å
308	D	92.1	Very high	92.5	Very high	46 Å²	46	68.5 Å²	68.5	25%	0.246	37%	0.367	C	S	.	.			trans	-81.2	89.4	171.1	-169.3	-7.9	0	0	0	110.4	I91 N202 R310 V311	I91-D308 HydrophobicContact CD1-CB 4.36Å; I91-D308 VanDerWaalsContact CD1-OD2 3.31Å; I91-D308 WeakPolarHBondContact CD1-OD2 3.26Å; N202-D308 PolarHBondContact ND2-OD1 2.93Å; D308-R310 PolarHBondContact O-N 2.89Å; D308-R310 VanDerWaalsContact OD1-CB 3.27Å; D308-R310 WeakPolarHBondContact OD1-CB 3.4Å; D308-R310 VanDerWaalsContact OD1-CG 3.29Å; D308-R310 WeakPolarHBondContact OD1-CG 3.46Å; D308-R310 IonicContact OD1-CZ 2.74Å; D308-R310 PolarHBondContact OD1-N 3.43Å; D308-R310 IonicContact OD1-NE 3.67Å; D308-R310 PolarHBondContact OD1-NE 3.14Å; D308-R310 IonicContact OD1-NH2 2.6Å; D308-R310 IonicContact OD2-CZ 2.85Å; D308-R310 IonicContact OD2-NE 2.67Å; D308-R310 PolarHBondContact OD2-NE 3.46Å; D308-R310 IonicContact OD2-NH2 3.54Å; D308-R310 PolarHBondContact OD2-NH2 2.8Å; D308-V311 WeakPolarHBondContact O-CG1 3.21Å; D308-V311 PolarHBondContact O-N 3.03Å
309	W	94.9	Very high	92.6	Very high	2 Å²	2	68.7 Å²	68.7	1%	0.008	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-1.5	-179.6	-68.4	107	0	0	0	115.3	E200 C212 L213 A307 V311 R312 L314 L318 Y321 A322	E200-W309 HydrophobicContact CB-CB 4.15Å; E200-W309 HydrophobicContact CB-CD2 3.76Å; E200-W309 HydrophobicContact CB-CE3 4.23Å; E200-W309 HydrophobicContact CB-CG 3.69Å; E200-W309 VanDerWaalsContact CD-CZ2 3.43Å; E200-W309 VanDerWaalsContact CD-NE1 3.33Å; E200-W309 HydrophobicContact CG-CD2 3.69Å; E200-W309 HydrophobicContact CG-CE3 3.98Å; E200-W309 HydrophobicContact CG-CG 4.15Å; E200-W309 HydrophobicContact CG-CH2 4.12Å; E200-W309 HydrophobicContact CG-CZ2 3.83Å; E200-W309 HydrophobicContact CG-CZ3 4.17Å; E200-W309 WeakPolarHBondContact OE1-CZ2 3.15Å; E200-W309 VanDerWaalsContact OE2-CE2 3.3Å; E200-W309 PolarHBondContact OE2-NE1 3.35Å; C212-W309 HydrophobicContact CB-CB 3.59Å; L213-W309 HydrophobicContact CD2-CE3 4.19Å; L213-W309 HydrophobicContact CD2-CZ3 4.04Å; A307-W309 VanDerWaalsContact O-CD1 3.25Å; A307-W309 PolarHBondContact O-N 3.42Å; A307-W309 VanDerWaalsContact O-N 3.1Å; W309-V311 VanDerWaalsContact C-N 3.27Å; W309-R312 PolarHBondContact O-NH1 3.04Å; W309-L314 HydrophobicContact CE3-CD2 4.35Å; W309-L318 HydrophobicContact CE3-CB 4.45Å; W309-L318 HydrophobicContact CE3-CD1 4.27Å; W309-L318 HydrophobicContact CH2-CB 4.05Å; W309-L318 HydrophobicContact CH2-CD2 4.13Å; W309-L318 HydrophobicContact CZ2-CD2 4.45Å; W309-L318 HydrophobicContact CZ3-CB 3.7Å; W309-L318 HydrophobicContact CZ3-CD1 4.28Å; W309-L318 HydrophobicContact CZ3-CD2 4.38Å; W309-L318 HydrophobicContact CZ3-CG 4.34Å; W309-Y321 AromaticContact CH2-CD1 3.59Å; W309-Y321 HydrophobicContact CH2-CD1 3.59Å; W309-Y321 HydrophobicContact CH2-CE1 4.28Å; W309-Y321 HydrophobicContact CH2-CG 4.4Å; W309-Y321 AromaticContact CZ2-CD1 3.56Å; W309-Y321 HydrophobicContact CZ2-CD1 3.56Å; W309-Y321 AromaticContact CZ2-CE1 3.8Å; W309-Y321 HydrophobicContact CZ2-CE1 3.8Å; W309-A322 HydrophobicContact CH2-CB 4.07Å; W309-A322 HydrophobicContact CZ3-CB 4.07Å
310	R	94.7	Very high	92.6	Very high	13 Å²	13	66.9 Å²	66.9	5%	0.049	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.4	173.5	-54.7	174.7	-58	142.2	10.8	112.5	I91 P94 N202 F228 D308 R312	I91-R310 HydrophobicContact CG2-CB 4.17Å; P94-R310 HydrophobicContact CG-CG 4.48Å; N202-R310 HydrophobicContact CB-CG 4.1Å; N202-R310 PolarHBondContact ND2-NE 2.81Å; F228-R310 HydrophobicContact CZ-CB 4.5Å; F228-R310 HydrophobicContact CZ-CG 4.39Å; D308-R310 PolarHBondContact O-N 2.89Å; D308-R310 VanDerWaalsContact OD1-CB 3.27Å; D308-R310 WeakPolarHBondContact OD1-CB 3.4Å; D308-R310 VanDerWaalsContact OD1-CG 3.29Å; D308-R310 WeakPolarHBondContact OD1-CG 3.46Å; D308-R310 IonicContact OD1-CZ 2.74Å; D308-R310 PolarHBondContact OD1-N 3.43Å; D308-R310 IonicContact OD1-NE 3.67Å; D308-R310 PolarHBondContact OD1-NE 3.14Å; D308-R310 IonicContact OD1-NH2 2.6Å; D308-R310 IonicContact OD2-CZ 2.85Å; D308-R310 IonicContact OD2-NE 2.67Å; D308-R310 PolarHBondContact OD2-NE 3.46Å; D308-R310 IonicContact OD2-NH2 3.54Å; D308-R310 PolarHBondContact OD2-NH2 2.8Å; R310-R312 PolarHBondContact O-N 3.21Å
311	V	94.2	Very high	92.7	Very high	39 Å²	39	67.4 Å²	67.4	24%	0.236	36%	0.355	C	S	.	.			trans	-60.5	135.1	-177.9	68.4	0	0	0	0	111.5	I91 D308 W309 L314 L318	I91-V311 HydrophobicContact CD1-CB 4.3Å; D308-V311 WeakPolarHBondContact O-CG1 3.21Å; D308-V311 PolarHBondContact O-N 3.03Å; W309-V311 VanDerWaalsContact C-N 3.27Å; V311-L314 HydrophobicContact CG1-CD2 4.17Å; V311-L314 WeakPolarHBondContact O-CD2 3.4Å; V311-L318 HydrophobicContact CG1-CD1 3.8Å
312	R	94.3	Very high	93.1	Very high	79 Å²	79	63.9 Å²	63.9	30%	0.298	34%	0.336	S	S	.	.	S	Bend	trans	-138	139.9	173.2	-64.7	-63.9	-177.3	-86.8	-0.2	110.6	C212 D226 W309 R310	C212-R312 PolarHBondContact O-NH2 3.11Å; D226-R312 VanDerWaalsContact CG-NE 3.34Å; D226-R312 VanDerWaalsContact CG-NH2 3.32Å; D226-R312 IonicContact OD1-CZ 3.82Å; D226-R312 IonicContact OD1-NE 3.64Å; D226-R312 PolarHBondContact OD1-NE 2.95Å; D226-R312 IonicContact OD1-NH2 2.79Å; D226-R312 PolarHBondContact OD1-NH2 3.34Å; D226-R312 IonicContact OD2-CZ 3.8Å; D226-R312 IonicContact OD2-NE 3.96Å; D226-R312 PolarHBondContact OD2-NE 3.38Å; D226-R312 IonicContact OD2-NH2 3.56Å; W309-R312 PolarHBondContact O-NH1 3.04Å; R310-R312 PolarHBondContact O-N 3.21Å
313	P	94.9	Very high	93.5	Very high	120 Å²	120	59.3 Å²	59.3	78%	0.779	32%	0.316	S	S	*	.	S	Bend	cis	-62.9	154.2	-9.6	29.9	-35.5	0	0	0	111.5	P315	P313-P315 WeakPolarHBondContact O-CD 3.32Å
314	L	95.1	Very high	93.9	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.094	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-69	127.4	177.2	-75	168.2	0	0	0	109.4	M175 L213 W309 V311 L318 I319	M175-L314 HydrophobicContact CE-CD1 4.39Å; L213-L314 HydrophobicContact CD1-CD1 3.64Å; L213-L314 HydrophobicContact CD2-CD1 4.12Å; W309-L314 HydrophobicContact CE3-CD2 4.35Å; V311-L314 HydrophobicContact CG1-CD2 4.17Å; V311-L314 WeakPolarHBondContact O-CD2 3.4Å; L314-L318 HydrophobicContact CD2-CD1 4.26Å; L314-I319 HydrophobicContact CB-CD1 4.19Å; L314-I319 HydrophobicContact CB-CG1 3.84Å
315	P	95.6	Very high	94.2	Very high	64 Å²	64	54.7 Å²	54.7	42%	0.416	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-63.1	145.6	172	-20.6	32.4	0	0	0	111.6	P313 K317 L318 I319	P313-P315 WeakPolarHBondContact O-CD 3.32Å; P315-K317 PolarHBondContact O-N 2.84Å; P315-L318 HydrophobicContact CG-CD1 4.44Å; P315-L318 HydrophobicContact CG-CG 4.46Å; P315-L318 WeakPolarHBondContact O-CA 3.05Å; P315-L318 WeakPolarHBondContact O-CB 3.29Å; P315-L318 PolarHBondContact O-N 2.95Å; P315-I319 PolarHBondContact O-N 3.19Å; P315-I319 VanDerWaalsContact O-N 3.12Å
316	D	95.2	Very high	94.8	Very high	135 Å²	135	51.1 Å²	51.1	72%	0.722	26%	0.263	S	S	*	.	H	α-helix	trans	-52.2	-33.4	-178.8	-56.5	-20.7	0	0	0	113.7	I319 K320	D316-I319 PolarHBondContact O-N 2.8Å; D316-K320 WeakPolarHBondContact O-CB 3.45Å; D316-K320 PolarHBondContact O-N 3.48Å
317	K	95	Very high	95.4	Very high	143 Å²	143	43 Å²	43	62%	0.622	22%	0.223	S	C	*	.	H	α-helix	trans	-65.6	-37.2	176.7	-61.4	-173.6	-179.2	-175.5	0	113	Y304 P315 Y321	Y304-K317 HydrophobicContact CE2-CB 4.26Å; Y304-K317 WeakPolarHBondContact OH-CD 3.33Å; P315-K317 PolarHBondContact O-N 2.84Å; K317-Y321 WeakPolarHBondContact O-CB 3.43Å; K317-Y321 PolarHBondContact O-N 2.83Å
318	L	95.9	Very high	95.7	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-73.3	-37.7	175	-66	-166.4	0	0	0	110.9	Y304 A307 W309 V311 L314 P315 Y321 A322	Y304-L318 HydrophobicContact CD1-CD2 3.36Å; Y304-L318 HydrophobicContact CD2-CD2 4.33Å; Y304-L318 HydrophobicContact CE1-CD2 4.07Å; Y304-L318 HydrophobicContact CG-CD2 3.53Å; A307-L318 HydrophobicContact CB-CD2 4.05Å; W309-L318 HydrophobicContact CE3-CB 4.45Å; W309-L318 HydrophobicContact CE3-CD1 4.27Å; W309-L318 HydrophobicContact CH2-CB 4.05Å; W309-L318 HydrophobicContact CH2-CD2 4.13Å; W309-L318 HydrophobicContact CZ2-CD2 4.45Å; W309-L318 HydrophobicContact CZ3-CB 3.7Å; W309-L318 HydrophobicContact CZ3-CD1 4.28Å; W309-L318 HydrophobicContact CZ3-CD2 4.38Å; W309-L318 HydrophobicContact CZ3-CG 4.34Å; V311-L318 HydrophobicContact CG1-CD1 3.8Å; L314-L318 HydrophobicContact CD2-CD1 4.26Å; P315-L318 HydrophobicContact CG-CD1 4.44Å; P315-L318 HydrophobicContact CG-CG 4.46Å; P315-L318 WeakPolarHBondContact O-CA 3.05Å; P315-L318 WeakPolarHBondContact O-CB 3.29Å; P315-L318 PolarHBondContact O-N 2.95Å; L318-Y321 PolarHBondContact O-N 3.39Å; L318-A322 VanDerWaalsContact O-CB 3.28Å; L318-A322 WeakPolarHBondContact O-CB 3.28Å; L318-A322 PolarHBondContact O-N 3.17Å
319	I	96.7	Very high	96	Very high	31 Å²	31	39.8 Å²	39.8	16%	0.159	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-48.6	174.4	-66.8	176.3	0	0	0	110.2	L173 I224 L314 P315 D316 A322 R323	L173-I319 HydrophobicContact CD2-CG2 3.52Å; I224-I319 HydrophobicContact CD1-CB 4.45Å; I224-I319 HydrophobicContact CD1-CG2 3.81Å; L314-I319 HydrophobicContact CB-CD1 4.19Å; L314-I319 HydrophobicContact CB-CG1 3.84Å; P315-I319 PolarHBondContact O-N 3.19Å; P315-I319 VanDerWaalsContact O-N 3.12Å; D316-I319 PolarHBondContact O-N 2.8Å; I319-A322 PolarHBondContact O-N 3.42Å; I319-R323 VanDerWaalsContact O-CB 3.3Å; I319-R323 WeakPolarHBondContact O-CB 3.03Å; I319-R323 PolarHBondContact O-N 2.67Å
320	K	95.5	Very high	96.2	Very high	85 Å²	85	40 Å²	40	37%	0.37	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-48.6	176.8	178.1	173	175.4	162.1	0	112	E169 D316 R323 E324	E169-K320 WeakPolarHBondContact OE1-CD 3.12Å; E169-K320 WeakPolarHBondContact OE1-CE 3.24Å; E169-K320 IonicContact OE1-NZ 2.74Å; E169-K320 PolarHBondContact OE1-NZ 2.69Å; D316-K320 WeakPolarHBondContact O-CB 3.45Å; D316-K320 PolarHBondContact O-N 3.48Å; K320-R323 WeakPolarHBondContact O-CB 3.46Å; K320-R323 PolarHBondContact O-N 3.26Å; K320-E324 WeakPolarHBondContact CE-OE1 3.42Å; K320-E324 IonicContact NZ-OE1 3.82Å; K320-E324 WeakPolarHBondContact O-CG 3.38Å; K320-E324 PolarHBondContact O-N 3.1Å; K320-E324 VanDerWaalsContact O-N 3.1Å
321	Y	95.6	Very high	96.3	Very high	24 Å²	24	40.4 Å²	40.4	9%	0.094	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-53.8	177.9	177.9	-81.1	0	0	0	111	E200 D301 Y304 W309 K317 L318 R323 E324 D325	E200-Y321 WeakPolarHBondContact OE1-CE1 3.41Å; D301-Y321 HydrophobicContact CB-CD2 4.33Å; D301-Y321 WeakPolarHBondContact O-CE2 3.46Å; Y304-Y321 AromaticContact CD2-CD2 3.7Å; Y304-Y321 HydrophobicContact CD2-CD2 3.7Å; Y304-Y321 AromaticContact CD2-CG 3.98Å; Y304-Y321 HydrophobicContact CD2-CG 3.98Å; Y304-Y321 HydrophobicContact CG-CD2 4.28Å; Y304-Y321 HydrophobicContact CG-CG 4.42Å; W309-Y321 AromaticContact CH2-CD1 3.59Å; W309-Y321 HydrophobicContact CH2-CD1 3.59Å; W309-Y321 HydrophobicContact CH2-CE1 4.28Å; W309-Y321 HydrophobicContact CH2-CG 4.4Å; W309-Y321 AromaticContact CZ2-CD1 3.56Å; W309-Y321 HydrophobicContact CZ2-CD1 3.56Å; W309-Y321 AromaticContact CZ2-CE1 3.8Å; W309-Y321 HydrophobicContact CZ2-CE1 3.8Å; K317-Y321 WeakPolarHBondContact O-CB 3.43Å; K317-Y321 PolarHBondContact O-N 2.83Å; L318-Y321 PolarHBondContact O-N 3.39Å; Y321-R323 VanDerWaalsContact C-N 3.27Å; Y321-R323 PolarHBondContact O-N 2.83Å; Y321-E324 PolarHBondContact O-N 2.92Å; Y321-D325 VanDerWaalsContact CE1-OD2 3.27Å; Y321-D325 WeakPolarHBondContact CE1-OD2 3.22Å; Y321-D325 PolarHBondContact O-N 3.26Å
322	A	96.6	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-42.6	-178.2	0	0	0	0	0	111.7	L213 Q215 I224 W309 L318 I319 E324 D325	L213-A322 HydrophobicContact CD2-CB 3.72Å; Q215-A322 HydrophobicContact CG-CB 3.9Å; Q215-A322 VanDerWaalsContact CG-O 3.31Å; Q215-A322 WeakPolarHBondContact CG-O 3.16Å; I224-A322 HydrophobicContact CD1-CB 4.21Å; W309-A322 HydrophobicContact CH2-CB 4.07Å; W309-A322 HydrophobicContact CZ3-CB 4.07Å; L318-A322 VanDerWaalsContact O-CB 3.28Å; L318-A322 WeakPolarHBondContact O-CB 3.28Å; L318-A322 PolarHBondContact O-N 3.17Å; I319-A322 PolarHBondContact O-N 3.42Å; A322-E324 VanDerWaalsContact C-N 3.34Å; A322-E324 PolarHBondContact O-N 3.19Å; A322-D325 PolarHBondContact O-N 3.45Å
323	R	96.3	Very high	96.7	Very high	16 Å²	16	34.8 Å²	34.8	6%	0.06	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-44	177.2	-176.3	-178	-169.9	155.9	24.5	112.4	S168 T171 P172 D222 I224 I319 K320 Y321 D325 T326 H327	S168-R323 PolarHBondContact O-NE 2.79Å; S168-R323 PolarHBondContact O-NH1 3.19Å; S168-R323 PolarHBondContact O-NH2 2.66Å; T171-R323 VanDerWaalsContact CB-NH2 3.34Å; T171-R323 VanDerWaalsContact O-CZ 3.29Å; T171-R323 PolarHBondContact O-NH1 3.17Å; T171-R323 VanDerWaalsContact O-NH1 3.14Å; T171-R323 PolarHBondContact O-NH2 3Å; P172-R323 VanDerWaalsContact C-NH2 3.33Å; P172-R323 PolarHBondContact O-NH2 2.93Å; D222-R323 HydrophobicContact CB-CG 4.03Å; D222-R323 IonicContact OD2-CZ 3.15Å; D222-R323 IonicContact OD2-NE 2.71Å; D222-R323 PolarHBondContact OD2-NE 2.89Å; D222-R323 IonicContact OD2-NH2 2.71Å; D222-R323 PolarHBondContact OD2-NH2 2.85Å; I224-R323 HydrophobicContact CD1-CB 4.48Å; I319-R323 VanDerWaalsContact O-CB 3.3Å; I319-R323 WeakPolarHBondContact O-CB 3.03Å; I319-R323 PolarHBondContact O-N 2.67Å; K320-R323 WeakPolarHBondContact O-CB 3.46Å; K320-R323 PolarHBondContact O-N 3.26Å; Y321-R323 VanDerWaalsContact C-N 3.27Å; Y321-R323 PolarHBondContact O-N 2.83Å; R323-D325 PolarHBondContact O-N 2.73Å; R323-T326 PolarHBondContact O-N 3.04Å; R323-T326 PolarHBondContact O-OG1 3.41Å; R323-H327 WeakPolarHBondContact O-CB 3.44Å; R323-H327 PolarHBondContact O-N 2.76Å
324	E	96.4	Very high	96.8	Very high	15 Å²	15	29.2 Å²	29.2	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-65.7	-23.6	-175.1	-75.6	179.6	172.2	0	0	113.7	L300 K320 Y321 A322 T326 Y328	L300-E324 HydrophobicContact CD2-CB 3.98Å; K320-E324 WeakPolarHBondContact CE-OE1 3.42Å; K320-E324 IonicContact NZ-OE1 3.82Å; K320-E324 WeakPolarHBondContact O-CG 3.38Å; K320-E324 PolarHBondContact O-N 3.1Å; K320-E324 VanDerWaalsContact O-N 3.1Å; Y321-E324 PolarHBondContact O-N 2.92Å; A322-E324 VanDerWaalsContact C-N 3.34Å; A322-E324 PolarHBondContact O-N 3.19Å; E324-T326 VanDerWaalsContact C-N 3.27Å; E324-T326 PolarHBondContact O-N 3.16Å; E324-Y328 HydrophobicContact CB-CE2 4.15Å; E324-Y328 HydrophobicContact CG-CE2 4.09Å; E324-Y328 WeakPolarHBondContact O-CD2 3.33Å
325	D	96.7	Very high	96.9	Very high	18 Å²	18	32.1 Å²	32.1	10%	0.096	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-25.9	179.1	-72	-42.5	0	0	0	113.2	D198 L288 Y321 A322 R323	D198-D325 HydrophobicContact CB-CB 4.24Å; D198-D325 WeakPolarHBondContact OD2-CB 3.29Å; L288-D325 HydrophobicContact CD2-CB 4.08Å; L288-D325 WeakPolarHBondContact CD2-O 3.3Å; L288-D325 WeakPolarHBondContact CD2-OD1 3.47Å; Y321-D325 VanDerWaalsContact CE1-OD2 3.27Å; Y321-D325 WeakPolarHBondContact CE1-OD2 3.22Å; Y321-D325 PolarHBondContact O-N 3.26Å; A322-D325 PolarHBondContact O-N 3.45Å; R323-D325 PolarHBondContact O-N 2.73Å
326	T	98.1	Very high	97	Very high	1 Å²	1	29 Å²	29	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-110.1	-29.3	178.8	44.4	0	0	0	0	113.8	A196 V197 D198 Q215 S217 R323 E324 Y328 L329	A196-T326 HydrophobicContact CB-CG2 4.26Å; V197-T326 VanDerWaalsContact C-CG2 3.47Å; D198-T326 HydrophobicContact CB-CG2 3.55Å; Q215-T326 HydrophobicContact CB-CG2 3.87Å; S217-T326 VanDerWaalsContact OG-C 3.27Å; S217-T326 VanDerWaalsContact OG-CB 3.3Å; S217-T326 WeakPolarHBondContact OG-CB 3.41Å; S217-T326 PolarHBondContact OG-OG1 3.03Å; S217-T326 VanDerWaalsContact OG-OG1 3.07Å; R323-T326 PolarHBondContact O-N 3.04Å; R323-T326 PolarHBondContact O-OG1 3.41Å; E324-T326 VanDerWaalsContact C-N 3.27Å; E324-T326 PolarHBondContact O-N 3.16Å; T326-Y328 VanDerWaalsContact C-N 3.32Å; T326-Y328 PolarHBondContact O-N 3.28Å; T326-Y328 VanDerWaalsContact O-N 3.16Å; T326-L329 VanDerWaalsContact O-CB 3.27Å; T326-L329 WeakPolarHBondContact O-CB 3.45Å; T326-L329 PolarHBondContact O-N 3.29Å
327	H	98.3	Very high	97	Very high	14 Å²	14	22.6 Å²	22.6	7%	0.065	10%	0.098	C	C	.	.	H	α-helix	trans	-52.1	-44.6	-172	-172.8	67.5	0	0	0	114.2	T165 T171 S217 D222 R323	T165-H327 PolarHBondContact O-NE2 2.97Å; T171-H327 PolarHBondContact OG1-CE1 3.44Å; S217-H327 WeakPolarHBondContact OG-CA 3.43Å; S217-H327 PolarHBondContact OG-N 2.95Å; D222-H327 IonicContact OD1-CG 2.65Å; D222-H327 IonicContact OD1-ND1 3.15Å; D222-H327 PolarHBondContact OD1-ND1 2.88Å; D222-H327 VanDerWaalsContact OD1-ND1 3.15Å; D222-H327 IonicContact OD2-CE1 3.55Å; D222-H327 IonicContact OD2-CG 2.74Å; D222-H327 IonicContact OD2-ND1 2.8Å; D222-H327 PolarHBondContact OD2-ND1 3Å; R323-H327 WeakPolarHBondContact O-CB 3.44Å; R323-H327 PolarHBondContact O-N 2.76Å
328	Y	98.2	Very high	97	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.016	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-9.9	-177.2	-51.2	-75.9	0	0	0	113.4	P164 L166 V292 T296 V298 L300 E324 T326 L330 Y331 C332	P164-Y328 HydrophobicContact CB-CD1 4.5Å; P164-Y328 HydrophobicContact CG-CD1 3.88Å; L166-Y328 PolarHBondContact O-OH 3.46Å; V292-Y328 HydrophobicContact CG1-CD1 4.47Å; V292-Y328 HydrophobicContact CG1-CD2 3.73Å; V292-Y328 HydrophobicContact CG1-CE2 4.37Å; V292-Y328 HydrophobicContact CG1-CG 3.79Å; V292-Y328 HydrophobicContact CG2-CD2 4.38Å; V292-Y328 HydrophobicContact CG2-CG 4.47Å; T296-Y328 HydrophobicContact CG2-CD1 4.21Å; V298-Y328 HydrophobicContact CB-CE1 4.46Å; V298-Y328 HydrophobicContact CG1-CE1 4.44Å; V298-Y328 HydrophobicContact CG1-CE2 4.23Å; V298-Y328 HydrophobicContact CG2-CE1 4.04Å; L300-Y328 HydrophobicContact CD2-CD2 3.95Å; L300-Y328 HydrophobicContact CD2-CE2 3.71Å; E324-Y328 HydrophobicContact CB-CE2 4.15Å; E324-Y328 HydrophobicContact CG-CE2 4.09Å; E324-Y328 WeakPolarHBondContact O-CD2 3.33Å; T326-Y328 VanDerWaalsContact C-N 3.32Å; T326-Y328 PolarHBondContact O-N 3.28Å; T326-Y328 VanDerWaalsContact O-N 3.16Å; Y328-L330 PolarHBondContact O-N 3.2Å; Y328-Y331 PolarHBondContact O-N 3.09Å; Y328-Y331 VanDerWaalsContact O-N 3.17Å; Y328-C332 PolarHBondContact O-N 2.71Å; Y328-C332 VanDerWaalsContact O-N 3.13Å; Y328-C332 PolarHBondContact O-SG 3.23Å
329	L	98.2	Very high	97	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-69.9	-34	-161.2	-169.7	63.5	0	0	0	112.7	A196 V249 H251 T274 L288 T326 Y331 C332 Y333	A196-L329 HydrophobicContact CB-CB 3.83Å; A196-L329 HydrophobicContact CB-CD2 3.94Å; A196-L329 HydrophobicContact CB-CG 4.27Å; V249-L329 HydrophobicContact CG1-CD1 4.46Å; V249-L329 HydrophobicContact CG1-CD2 4.01Å; V249-L329 HydrophobicContact CG1-CG 3.72Å; V249-L329 WeakPolarHBondContact O-CD2 3.41Å; H251-L329 HydrophobicContact CB-CD1 4.09Å; T274-L329 HydrophobicContact CG2-CD1 3.89Å; L288-L329 HydrophobicContact CD1-CD1 3.8Å; T326-L329 VanDerWaalsContact O-CB 3.27Å; T326-L329 WeakPolarHBondContact O-CB 3.45Å; T326-L329 PolarHBondContact O-N 3.29Å; L329-Y331 VanDerWaalsContact C-N 3.33Å; L329-Y331 PolarHBondContact O-N 3.07Å; L329-C332 WeakPolarHBondContact O-CB 3.36Å; L329-C332 PolarHBondContact O-N 2.99Å; L329-Y333 WeakPolarHBondContact O-CB 3.46Å; L329-Y333 PolarHBondContact O-N 2.99Å
330	L	98.3	Very high	96.9	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.026	7%	0.071	C	C	.	.	H	α-helix	trans	-65.4	-35.1	175.7	-67.1	-174.2	0	0	0	112.8	E194 A196 R219 V249 Y328 Y333 D334	E194-L330 HydrophobicContact CB-CD2 4.35Å; E194-L330 HydrophobicContact CG-CD1 4.39Å; E194-L330 HydrophobicContact CG-CD2 3.83Å; A196-L330 HydrophobicContact CB-CD2 4.01Å; A196-L330 HydrophobicContact CB-CG 3.99Å; R219-L330 HydrophobicContact CG-CD1 4.08Å; R219-L330 PolarHBondContact NH1-O 2.9Å; V249-L330 HydrophobicContact CB-CD2 4.05Å; V249-L330 HydrophobicContact CG2-CD2 3.65Å; Y328-L330 PolarHBondContact O-N 3.2Å; L330-Y333 WeakPolarHBondContact O-CB 3.03Å; L330-Y333 PolarHBondContact O-N 2.88Å; L330-D334 PolarHBondContact O-N 3.49Å
331	Y	97.9	Very high	96.9	Very high	22 Å²	22	13.8 Å²	13.8	9%	0.086	6%	0.062	C	C	.	.	H	α-helix	trans	-70.9	-41.1	173.5	176.3	-114.1	0	0	0	111.7	A161 I162 K163 P164 Y295 T296 Y328 L329 Y333 D334 R335	A161-Y331 HydrophobicContact CB-CD2 4.01Å; A161-Y331 HydrophobicContact CB-CE2 3.67Å; I162-Y331 VanDerWaalsContact O-CD2 3.25Å; I162-Y331 WeakPolarHBondContact O-CD2 3.32Å; K163-Y331 HydrophobicContact CB-CE2 4.46Å; K163-Y331 HydrophobicContact CG-CD2 4.35Å; K163-Y331 HydrophobicContact CG-CE2 3.7Å; P164-Y331 HydrophobicContact CG-CG 4.46Å; Y295-Y331 WeakPolarHBondContact O-CE1 3.49Å; T296-Y331 HydrophobicContact CG2-CD1 3.67Å; T296-Y331 HydrophobicContact CG2-CE1 3.96Å; Y328-Y331 PolarHBondContact O-N 3.09Å; Y328-Y331 VanDerWaalsContact O-N 3.17Å; L329-Y331 VanDerWaalsContact C-N 3.33Å; L329-Y331 PolarHBondContact O-N 3.07Å; Y331-Y333 VanDerWaalsContact C-N 3.25Å; Y331-Y333 PolarHBondContact O-N 3.15Å; Y331-D334 PolarHBondContact O-N 3.25Å; Y331-D334 VanDerWaalsContact O-N 3.17Å; Y331-R335 HydrophobicContact CD1-CG 4.34Å; Y331-R335 HydrophobicContact CD2-CG 4.28Å; Y331-R335 HydrophobicContact CE1-CG 3.95Å; Y331-R335 HydrophobicContact CE2-CG 3.89Å; Y331-R335 WeakPolarHBondContact O-CG 3.4Å; Y331-R335 PolarHBondContact O-N 2.9Å
332	C	97.9	Very high	96.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.3	-39.1	172.6	-65.1	0	0	0	0	111.6	L291 Y295 Y328 L329 R335 L336	L291-C332 HydrophobicContact CD1-CB 4.26Å; L291-C332 HydrophobicContact CD2-CB 3.82Å; L291-C332 HydrophobicContact CG-CB 3.83Å; Y295-C332 HydrophobicContact CD2-CB 4.42Å; Y328-C332 PolarHBondContact O-N 2.71Å; Y328-C332 VanDerWaalsContact O-N 3.13Å; Y328-C332 PolarHBondContact O-SG 3.23Å; L329-C332 WeakPolarHBondContact O-CB 3.36Å; L329-C332 PolarHBondContact O-N 2.99Å; C332-R335 PolarHBondContact O-N 3.07Å; C332-L336 WeakPolarHBondContact O-CB 3.37Å; C332-L336 WeakPolarHBondContact O-CG 3.3Å; C332-L336 PolarHBondContact O-N 2.84Å
333	Y	98.1	Very high	96.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-47.1	172.1	160.9	-120.1	0	0	0	112.4	R159 E194 V247 V249 F272 L329 L330 Y331 R335 L336 S337	R159-Y333 PolarHBondContact NH1-OH 3.36Å; R159-Y333 PolarHBondContact NH2-OH 3.25Å; E194-Y333 HydrophobicContact CG-CE1 4.35Å; V247-Y333 HydrophobicContact CG1-CE2 4.35Å; V249-Y333 HydrophobicContact CG1-CG 4.34Å; V249-Y333 HydrophobicContact CG2-CD1 3.85Å; V249-Y333 HydrophobicContact CG2-CD2 4.21Å; V249-Y333 HydrophobicContact CG2-CE1 4.33Å; V249-Y333 HydrophobicContact CG2-CG 3.75Å; F272-Y333 HydrophobicContact CB-CD2 4.05Å; F272-Y333 HydrophobicContact CB-CE2 3.85Å; F272-Y333 AromaticContact CD1-CD2 3.36Å; F272-Y333 HydrophobicContact CD1-CD2 3.36Å; F272-Y333 AromaticContact CD1-CE2 3.89Å; F272-Y333 HydrophobicContact CD1-CE2 3.89Å; F272-Y333 HydrophobicContact CD1-CG 4.38Å; F272-Y333 AromaticContact CD2-CD2 3.99Å; F272-Y333 HydrophobicContact CD2-CD2 3.99Å; F272-Y333 AromaticContact CD2-CE2 3.67Å; F272-Y333 HydrophobicContact CD2-CE2 3.67Å; F272-Y333 AromaticContact CE1-CD2 3.66Å; F272-Y333 HydrophobicContact CE1-CD2 3.66Å; F272-Y333 HydrophobicContact CE1-CE2 4.31Å; F272-Y333 HydrophobicContact CE2-CD2 4.25Å; F272-Y333 HydrophobicContact CE2-CE2 4.11Å; F272-Y333 AromaticContact CG-CD2 3.52Å; F272-Y333 HydrophobicContact CG-CD2 3.52Å; F272-Y333 AromaticContact CG-CE2 3.51Å; F272-Y333 HydrophobicContact CG-CE2 3.51Å; F272-Y333 HydrophobicContact CZ-CD2 4.08Å; F272-Y333 HydrophobicContact CZ-CE2 4.4Å; L329-Y333 WeakPolarHBondContact O-CB 3.46Å; L329-Y333 PolarHBondContact O-N 2.99Å; L330-Y333 WeakPolarHBondContact O-CB 3.03Å; L330-Y333 PolarHBondContact O-N 2.88Å; Y331-Y333 VanDerWaalsContact C-N 3.25Å; Y331-Y333 PolarHBondContact O-N 3.15Å; Y333-R335 VanDerWaalsContact C-N 3.34Å; Y333-R335 PolarHBondContact O-N 3.46Å; Y333-L336 PolarHBondContact O-N 2.78Å; Y333-S337 WeakPolarHBondContact CD2-OG 3.46Å; Y333-S337 VanDerWaalsContact CE2-OG 3.32Å; Y333-S337 WeakPolarHBondContact CE2-OG 3.28Å; Y333-S337 VanDerWaalsContact O-CB 3.28Å; Y333-S337 WeakPolarHBondContact O-CB 3.49Å; Y333-S337 PolarHBondContact O-N 2.7Å; Y333-S337 PolarHBondContact O-OG 3.05Å
334	D	97.5	Very high	96	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-60.3	-46.8	177.6	-65.4	-29.3	0	0	0	111.5	R159 A161 I162 R219 L330 Y331 S337 M338	R159-D334 IonicContact NH1-OD1 2.87Å; A161-D334 HydrophobicContact CB-CB 3.6Å; I162-D334 PolarHBondContact N-OD2 3.29Å; I162-D334 VanDerWaalsContact N-OD2 3.14Å; R219-D334 IonicContact CZ-OD1 3.33Å; R219-D334 IonicContact CZ-OD2 3.53Å; R219-D334 IonicContact NH1-OD1 3.17Å; R219-D334 IonicContact NH1-OD2 3.39Å; R219-D334 PolarHBondContact NH1-OD2 3.02Å; R219-D334 VanDerWaalsContact NH2-CG 3.32Å; R219-D334 IonicContact NH2-OD1 2.72Å; R219-D334 PolarHBondContact NH2-OD1 2.76Å; R219-D334 IonicContact NH2-OD2 3.44Å; R219-D334 PolarHBondContact NH2-OD2 3.21Å; R219-D334 VanDerWaalsContact NH2-OD2 3.17Å; L330-D334 PolarHBondContact O-N 3.49Å; Y331-D334 PolarHBondContact O-N 3.25Å; Y331-D334 VanDerWaalsContact O-N 3.17Å; D334-S337 PolarHBondContact O-N 3.23Å; D334-M338 WeakPolarHBondContact O-CG 3.44Å; D334-M338 PolarHBondContact O-N 2.99Å
335	R	97.1	Very high	95.4	Very high	78 Å²	78	34.6 Å²	34.6	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-64.5	-45.5	-178.2	-65.5	-67.1	-67.5	147.4	1	112	A161 Y295 Y331 C332 Y333 M338 D339	A161-R335 HydrophobicContact CB-CG 4.47Å; Y295-R335 HydrophobicContact CD1-CB 3.54Å; Y295-R335 HydrophobicContact CD1-CG 3.76Å; Y295-R335 HydrophobicContact CD2-CB 3.98Å; Y295-R335 HydrophobicContact CE1-CB 3.46Å; Y295-R335 VanDerWaalsContact CE1-CB 3.46Å; Y295-R335 HydrophobicContact CE1-CG 4.16Å; Y295-R335 HydrophobicContact CE2-CB 3.89Å; Y295-R335 HydrophobicContact CG-CB 3.8Å; Y295-R335 HydrophobicContact CG-CG 3.96Å; Y331-R335 HydrophobicContact CD1-CG 4.34Å; Y331-R335 HydrophobicContact CD2-CG 4.28Å; Y331-R335 HydrophobicContact CE1-CG 3.95Å; Y331-R335 HydrophobicContact CE2-CG 3.89Å; Y331-R335 WeakPolarHBondContact O-CG 3.4Å; Y331-R335 PolarHBondContact O-N 2.9Å; C332-R335 PolarHBondContact O-N 3.07Å; Y333-R335 VanDerWaalsContact C-N 3.34Å; Y333-R335 PolarHBondContact O-N 3.46Å; R335-M338 HydrophobicContact CG-CE 4.41Å; R335-M338 PolarHBondContact O-N 3.39Å; R335-D339 WeakPolarHBondContact O-CB 3.07Å; R335-D339 VanDerWaalsContact O-CG 3.27Å; R335-D339 PolarHBondContact O-N 3.49Å
336	L	96.9	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-40	176.2	-76.8	169.6	0	0	0	112	F272 T274 A277 L278 L281 L291 Y295 C332 Y333 M338 D339 L340	F272-L336 HydrophobicContact CE1-CB 4.42Å; F272-L336 HydrophobicContact CZ-CB 4.36Å; T274-L336 HydrophobicContact CG2-CD1 3.81Å; A277-L336 HydrophobicContact CB-CB 4.34Å; A277-L336 HydrophobicContact CB-CD1 4.1Å; L278-L336 HydrophobicContact CD2-CD2 3.88Å; L278-L336 HydrophobicContact CG-CD1 4.48Å; L278-L336 HydrophobicContact CG-CD2 4.08Å; L281-L336 HydrophobicContact CD1-CD2 3.74Å; L291-L336 HydrophobicContact CD1-CD1 3.67Å; L291-L336 HydrophobicContact CD1-CD2 4.2Å; L291-L336 HydrophobicContact CD1-CG 4.01Å; L291-L336 HydrophobicContact CD2-CD1 4.06Å; Y295-L336 HydrophobicContact CE2-CD2 4.11Å; Y295-L336 HydrophobicContact CE2-CG 3.94Å; Y295-L336 WeakPolarHBondContact OH-CD2 3.29Å; C332-L336 WeakPolarHBondContact O-CB 3.37Å; C332-L336 WeakPolarHBondContact O-CG 3.3Å; C332-L336 PolarHBondContact O-N 2.84Å; Y333-L336 PolarHBondContact O-N 2.78Å; L336-M338 VanDerWaalsContact C-N 3.34Å; L336-M338 PolarHBondContact O-N 3.34Å; L336-D339 PolarHBondContact O-N 3.1Å; L336-L340 WeakPolarHBondContact O-CB 3.46Å; L336-L340 WeakPolarHBondContact O-CD1 3.1Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.31Å; L336-L340 PolarHBondContact O-N 3.06Å
337	S	96.2	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-43.8	177.2	-61.3	0	0	0	0	111.3	R159 Y333 D334 L340 L341	R159-S337 PolarHBondContact NH2-OG 3.06Å; Y333-S337 WeakPolarHBondContact CD2-OG 3.46Å; Y333-S337 VanDerWaalsContact CE2-OG 3.32Å; Y333-S337 WeakPolarHBondContact CE2-OG 3.28Å; Y333-S337 VanDerWaalsContact O-CB 3.28Å; Y333-S337 WeakPolarHBondContact O-CB 3.49Å; Y333-S337 PolarHBondContact O-N 2.7Å; Y333-S337 PolarHBondContact O-OG 3.05Å; D334-S337 PolarHBondContact O-N 3.23Å; S337-L340 PolarHBondContact O-N 3.2Å; S337-L341 VanDerWaalsContact O-CG 3.32Å; S337-L341 WeakPolarHBondContact O-CG 3.48Å; S337-L341 PolarHBondContact O-N 3.47Å
338	M	94.7	Very high	93.2	Very high	22 Å²	22	45 Å²	45	11%	0.108	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-44.2	173.8	-71.6	-176.3	-64.3	0	0	112.3	R159 A161 D334 R335 L336 L340 L341 N342	R159-M338 HydrophobicContact CG-CG 4.13Å; A161-M338 HydrophobicContact CB-CE 3.56Å; D334-M338 WeakPolarHBondContact O-CG 3.44Å; D334-M338 PolarHBondContact O-N 2.99Å; R335-M338 HydrophobicContact CG-CE 4.41Å; R335-M338 PolarHBondContact O-N 3.39Å; L336-M338 VanDerWaalsContact C-N 3.34Å; L336-M338 PolarHBondContact O-N 3.34Å; M338-L340 VanDerWaalsContact C-N 3.27Å; M338-L340 PolarHBondContact O-N 2.86Å; M338-L341 PolarHBondContact O-N 3.3Å; M338-L341 VanDerWaalsContact O-N 3.15Å; M338-N342 WeakPolarHBondContact O-CB 3.29Å; M338-N342 PolarHBondContact O-N 3.45Å; M338-N342 PolarHBondContact O-ND2 3.49Å
339	D	95.4	Very high	93.1	Very high	32 Å²	32	51.1 Å²	51.1	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-38	179.5	-74.1	-1.9	0	0	0	111.2	L281 R283 Y295 R335 L336 V343	L281-D339 HydrophobicContact CD1-CB 4.02Å; R283-D339 IonicContact CZ-OD2 3.76Å; R283-D339 IonicContact NH1-OD2 3.75Å; R283-D339 PolarHBondContact NH1-OD2 2.95Å; Y295-D339 PolarHBondContact OH-OD2 3.3Å; R335-D339 WeakPolarHBondContact O-CB 3.07Å; R335-D339 VanDerWaalsContact O-CG 3.27Å; R335-D339 PolarHBondContact O-N 3.49Å; L336-D339 PolarHBondContact O-N 3.1Å; D339-V343 VanDerWaalsContact O-CG2 3.3Å; D339-V343 WeakPolarHBondContact O-CG2 3.33Å
340	L	96.1	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-39.1	173.6	-75.2	162.5	0	0	0	113.1	F272 A277 V280 L281 L336 S337 M338 L350 L351 A354	F272-L340 HydrophobicContact CE2-CD1 4.36Å; F272-L340 HydrophobicContact CZ-CD1 4.11Å; A277-L340 HydrophobicContact CB-CD1 3.96Å; V280-L340 HydrophobicContact CB-CD2 4.06Å; V280-L340 HydrophobicContact CG1-CD2 3.58Å; L281-L340 HydrophobicContact CD1-CD2 4.35Å; L281-L340 HydrophobicContact CD1-CG 4.16Å; L281-L340 HydrophobicContact CD2-CD2 3.67Å; L281-L340 HydrophobicContact CD2-CG 4.01Å; L281-L340 HydrophobicContact CG-CD2 3.6Å; L281-L340 HydrophobicContact CG-CG 3.95Å; L336-L340 WeakPolarHBondContact O-CB 3.46Å; L336-L340 WeakPolarHBondContact O-CD1 3.1Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.31Å; L336-L340 PolarHBondContact O-N 3.06Å; S337-L340 PolarHBondContact O-N 3.2Å; M338-L340 VanDerWaalsContact C-N 3.27Å; M338-L340 PolarHBondContact O-N 2.86Å; L340-L350 HydrophobicContact CD2-CB 3.8Å; L340-L351 HydrophobicContact CB-CB 4.18Å; L340-L351 HydrophobicContact CB-CD1 4.46Å; L340-L351 HydrophobicContact CD1-CD1 3.85Å; L340-A354 HydrophobicContact CD1-CB 3.87Å
341	L	94.4	Very high	92.9	Very high	32 Å²	32	52.9 Å²	52.9	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-72.2	-31.4	178.5	-74.6	171.7	0	0	0	112.8	S337 M338 V343 K348 L351	S337-L341 VanDerWaalsContact O-CG 3.32Å; S337-L341 WeakPolarHBondContact O-CG 3.48Å; S337-L341 PolarHBondContact O-N 3.47Å; M338-L341 PolarHBondContact O-N 3.3Å; M338-L341 VanDerWaalsContact O-N 3.15Å; L341-V343 VanDerWaalsContact C-N 3.33Å; L341-K348 HydrophobicContact CD2-CB 4.28Å; L341-K348 HydrophobicContact CD2-CG 3.87Å; L341-L351 HydrophobicContact CD1-CD2 4.02Å; L341-L351 HydrophobicContact CD2-CB 4.29Å; L341-L351 HydrophobicContact CD2-CD2 3.85Å; L341-L351 HydrophobicContact CG-CD2 3.81Å
342	N	93.3	Very high	92.8	Very high	114 Å²	114	54.3 Å²	54.3	61%	0.61	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	0.4	-176.3	-68.9	-26.1	0	0	0	113.8	M338 E344	M338-N342 WeakPolarHBondContact O-CB 3.29Å; M338-N342 PolarHBondContact O-N 3.45Å; M338-N342 PolarHBondContact O-ND2 3.49Å; N342-E344 PolarHBondContact O-N 2.94Å
343	V	92.6	Very high	92.8	Very high	59 Å²	59	57.4 Å²	57.4	36%	0.358	28%	0.281	S	S	.	.	S	Bend	trans	-67.5	122.3	171.7	-176.9	0	0	0	0	109	L281 D339 L341 N345 A346 L350	L281-V343 HydrophobicContact CD2-CG2 3.93Å; D339-V343 VanDerWaalsContact O-CG2 3.3Å; D339-V343 WeakPolarHBondContact O-CG2 3.33Å; L341-V343 VanDerWaalsContact C-N 3.33Å; V343-N345 PolarHBondContact O-N 3.19Å; V343-A346 HydrophobicContact CB-CB 4.05Å; V343-A346 HydrophobicContact CG1-CB 4.36Å; V343-A346 VanDerWaalsContact O-CB 3.27Å; V343-A346 WeakPolarHBondContact O-CB 3.31Å; V343-A346 PolarHBondContact O-N 2.59Å; V343-L350 HydrophobicContact CB-CD1 3.66Å; V343-L350 HydrophobicContact CG1-CD1 3.72Å; V343-L350 HydrophobicContact CG2-CD1 3.66Å
344	E	84.8	Confident	92.8	Very high	167 Å²	167	57.4 Å²	57.4	78%	0.78	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	139.2	-179.8	-67.3	-175.7	173.2	0	0	111.7	N342 A346	N342-E344 PolarHBondContact O-N 2.94Å; E344-A346 PolarHBondContact O-N 2.88Å; E344-A346 VanDerWaalsContact O-N 3.15Å
345	N	81.9	Confident	92.8	Very high	151 Å²	151	57.5 Å²	57.5	81%	0.807	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	11.9	179.2	-49.8	-53.8	0	0	0	115.8	V343	V343-N345 PolarHBondContact O-N 3.19Å
346	A	81.9	Confident	92.9	Very high	9 Å²	9	55.6 Å²	55.6	7%	0.074	28%	0.277	C	S	.	.			trans	-84.8	-22.4	180	0	0	0	0	0	114.4	V343 E344 K348 K349 L350	V343-A346 HydrophobicContact CB-CB 4.05Å; V343-A346 HydrophobicContact CG1-CB 4.36Å; V343-A346 VanDerWaalsContact O-CB 3.27Å; V343-A346 WeakPolarHBondContact O-CB 3.31Å; V343-A346 PolarHBondContact O-N 2.59Å; E344-A346 PolarHBondContact O-N 2.88Å; E344-A346 VanDerWaalsContact O-N 3.15Å; A346-K348 VanDerWaalsContact C-N 3.26Å; A346-K348 PolarHBondContact O-N 3.15Å; A346-K348 VanDerWaalsContact O-N 3.07Å; A346-K349 WeakPolarHBondContact O-CB 3.34Å; A346-K349 VanDerWaalsContact O-CG 3.23Å; A346-K349 WeakPolarHBondContact O-CG 3.29Å; A346-K349 PolarHBondContact O-N 3.28Å; A346-L350 HydrophobicContact CB-CB 4.5Å; A346-L350 HydrophobicContact CB-CD1 3.92Å; A346-L350 HydrophobicContact CB-CG 3.85Å
347	E	76.6	Confident	93	Very high	160 Å²	160	59.9 Å²	59.9	75%	0.748	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	39	51.3	178.5	-64.6	-178.9	167.4	0	0	113.4	K349	E347-K349 PolarHBondContact O-N 2.92Å; E347-K349 VanDerWaalsContact O-N 3.14Å
348	K	90.1	Very high	93.1	Very high	82 Å²	82	59.9 Å²	59.9	36%	0.357	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	-10.8	-177.5	-52.8	164.7	170.4	177.6	0	116.8	E153 F156 L341 A346 L350 L351 Q352	E153-K348 IonicContact OE1-NZ 3.25Å; E153-K348 PolarHBondContact OE1-NZ 2.88Å; F156-K348 HydrophobicContact CB-CB 4.43Å; F156-K348 HydrophobicContact CB-CD 3.68Å; F156-K348 HydrophobicContact CB-CG 4.02Å; F156-K348 HydrophobicContact CD1-CB 3.92Å; F156-K348 HydrophobicContact CD1-CG 4.42Å; F156-K348 HydrophobicContact CG-CB 4.49Å; F156-K348 HydrophobicContact CG-CD 4.32Å; F156-K348 WeakPolarHBondContact O-CE 3.27Å; L341-K348 HydrophobicContact CD2-CB 4.28Å; L341-K348 HydrophobicContact CD2-CG 3.87Å; A346-K348 VanDerWaalsContact C-N 3.26Å; A346-K348 PolarHBondContact O-N 3.15Å; A346-K348 VanDerWaalsContact O-N 3.07Å; K348-L350 VanDerWaalsContact C-N 3.28Å; K348-L350 PolarHBondContact O-N 3.26Å; K348-L351 PolarHBondContact O-N 3Å; K348-L351 VanDerWaalsContact O-N 3.09Å; K348-Q352 PolarHBondContact O-N 3Å
349	K	94.8	Very high	93.3	Very high	134 Å²	134	61.6 Å²	61.6	58%	0.583	30%	0.298	S	S	*	.	H	α-helix	trans	-56.4	-37.8	-176.1	-65	170.7	-176.7	165	0	113.5	A346 E347 Q352 L353	A346-K349 WeakPolarHBondContact O-CB 3.34Å; A346-K349 VanDerWaalsContact O-CG 3.23Å; A346-K349 WeakPolarHBondContact O-CG 3.29Å; A346-K349 PolarHBondContact O-N 3.28Å; E347-K349 PolarHBondContact O-N 2.92Å; E347-K349 VanDerWaalsContact O-N 3.14Å; K349-Q352 PolarHBondContact O-N 2.97Å; K349-L353 WeakPolarHBondContact O-CB 3.08Å; K349-L353 PolarHBondContact O-N 3.34Å
350	L	96.6	Very high	93.4	Very high	44 Å²	44	64.2 Å²	64.2	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-70.3	-39.2	179.3	-64.5	-176.4	0	0	0	112.2	V280 L340 V343 A346 K348 Q352 L353 A354	V280-L350 HydrophobicContact CG1-CB 3.89Å; V280-L350 HydrophobicContact CG1-CD2 3.88Å; V280-L350 HydrophobicContact CG1-CG 4.38Å; L340-L350 HydrophobicContact CD2-CB 3.8Å; V343-L350 HydrophobicContact CB-CD1 3.66Å; V343-L350 HydrophobicContact CG1-CD1 3.72Å; V343-L350 HydrophobicContact CG2-CD1 3.66Å; A346-L350 HydrophobicContact CB-CB 4.5Å; A346-L350 HydrophobicContact CB-CD1 3.92Å; A346-L350 HydrophobicContact CB-CG 3.85Å; K348-L350 VanDerWaalsContact C-N 3.28Å; K348-L350 PolarHBondContact O-N 3.26Å; L350-Q352 VanDerWaalsContact C-N 3.33Å; L350-L353 PolarHBondContact O-N 3.48Å; L350-A354 PolarHBondContact O-N 2.73Å
351	L	96.3	Very high	93.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-41	174.3	-177.6	56.7	0	0	0	110.9	L155 F156 F272 L340 L341 K348 L353 A354 F355	L155-L351 WeakPolarHBondContact O-CD2 3.31Å; F156-L351 HydrophobicContact CD1-CB 4.11Å; F156-L351 HydrophobicContact CD1-CD2 3.76Å; F156-L351 HydrophobicContact CD1-CG 3.93Å; F156-L351 HydrophobicContact CE1-CB 4.2Å; F156-L351 HydrophobicContact CE1-CD2 4.28Å; F156-L351 HydrophobicContact CE1-CG 3.97Å; F156-L351 HydrophobicContact CG-CD2 4.44Å; F272-L351 HydrophobicContact CE2-CD1 3.68Å; F272-L351 HydrophobicContact CZ-CD1 4.5Å; L340-L351 HydrophobicContact CB-CB 4.18Å; L340-L351 HydrophobicContact CB-CD1 4.46Å; L340-L351 HydrophobicContact CD1-CD1 3.85Å; L341-L351 HydrophobicContact CD1-CD2 4.02Å; L341-L351 HydrophobicContact CD2-CB 4.29Å; L341-L351 HydrophobicContact CD2-CD2 3.85Å; L341-L351 HydrophobicContact CG-CD2 3.81Å; K348-L351 PolarHBondContact O-N 3Å; K348-L351 VanDerWaalsContact O-N 3.09Å; L351-L353 PolarHBondContact O-N 3.26Å; L351-A354 WeakPolarHBondContact O-CB 3.39Å; L351-A354 PolarHBondContact O-N 3.35Å; L351-F355 HydrophobicContact CD1-CD2 4.23Å; L351-F355 HydrophobicContact CD1-CE2 3.94Å; L351-F355 HydrophobicContact CG-CD2 4.27Å; L351-F355 HydrophobicContact CG-CE2 4.1Å; L351-F355 WeakPolarHBondContact O-CD2 3.41Å; L351-F355 PolarHBondContact O-N 3Å; L351-F355 VanDerWaalsContact O-N 3.15Å
352	Q	96.6	Very high	93.7	Very high	53 Å²	53	63.1 Å²	63.1	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-46	174.3	-179.8	60.8	57.3	0	0	111	F156 K348 K349 L350 A354 F355 D356	F156-Q352 HydrophobicContact CE1-CB 3.94Å; F156-Q352 HydrophobicContact CZ-CB 4.35Å; K348-Q352 PolarHBondContact O-N 3Å; K349-Q352 PolarHBondContact O-N 2.97Å; L350-Q352 VanDerWaalsContact C-N 3.33Å; Q352-A354 VanDerWaalsContact C-N 3.27Å; Q352-A354 PolarHBondContact O-N 3.13Å; Q352-F355 CarbonylContact O-C 3.57Å; Q352-F355 WeakPolarHBondContact O-CB 3.26Å; Q352-F355 PolarHBondContact O-N 3.15Å; Q352-F355 VanDerWaalsContact O-N 3.09Å; Q352-D356 PolarHBondContact NE2-OD1 3.04Å; Q352-D356 VanDerWaalsContact NE2-OD1 3.13Å; Q352-D356 PolarHBondContact O-N 3.14Å
353	L	97.3	Very high	93.9	Very high	64 Å²	64	59.4 Å²	59.4	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-34.4	177.1	-178.5	61.1	0	0	0	112.6	V280 K349 L350 L351 D356 R357	V280-L353 HydrophobicContact CG1-CD2 4.2Å; V280-L353 HydrophobicContact CG2-CB 4.48Å; V280-L353 HydrophobicContact CG2-CD2 4.14Å; V280-L353 HydrophobicContact CG2-CG 3.97Å; K349-L353 WeakPolarHBondContact O-CB 3.08Å; K349-L353 PolarHBondContact O-N 3.34Å; L350-L353 PolarHBondContact O-N 3.48Å; L351-L353 PolarHBondContact O-N 3.26Å; L353-D356 PolarHBondContact O-N 2.81Å; L353-R357 HydrophobicContact CD1-CG 4.32Å; L353-R357 WeakPolarHBondContact O-CB 3.42Å; L353-R357 WeakPolarHBondContact O-CG 3.26Å; L353-R357 PolarHBondContact O-N 3.03Å
354	A	98	Very high	94.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-42.4	174.5	0	0	0	0	0	111.4	F272 A277 V280 L340 L350 L351 Q352 S358	F272-A354 HydrophobicContact CE2-CB 4.13Å; A277-A354 HydrophobicContact CB-CB 4.34Å; V280-A354 HydrophobicContact CG2-CB 4.31Å; L340-A354 HydrophobicContact CD1-CB 3.87Å; L350-A354 PolarHBondContact O-N 2.73Å; L351-A354 WeakPolarHBondContact O-CB 3.39Å; L351-A354 PolarHBondContact O-N 3.35Å; Q352-A354 VanDerWaalsContact C-N 3.27Å; Q352-A354 PolarHBondContact O-N 3.13Å; A354-S358 WeakPolarHBondContact O-CB 3.26Å; A354-S358 PolarHBondContact O-N 3.41Å; A354-S358 PolarHBondContact O-OG 3.31Å
355	F	98.2	Very high	94.3	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-40.8	172.3	-81.5	-72.1	0	0	0	112.5	P151 L155 F156 V247 M271 F272 L351 Q352 S358 R359	P151-F355 HydrophobicContact CB-CD1 4.49Å; P151-F355 HydrophobicContact CB-CD2 4.23Å; P151-F355 HydrophobicContact CB-CE2 4.47Å; P151-F355 HydrophobicContact CB-CG 4.24Å; P151-F355 HydrophobicContact CG-CB 3.72Å; P151-F355 HydrophobicContact CG-CD1 4.19Å; P151-F355 HydrophobicContact CG-CD2 4.08Å; P151-F355 HydrophobicContact CG-CG 3.75Å; L155-F355 HydrophobicContact CB-CE2 4.47Å; L155-F355 HydrophobicContact CB-CZ 4.47Å; L155-F355 HydrophobicContact CD1-CE1 4.32Å; L155-F355 HydrophobicContact CD1-CE2 4.45Å; L155-F355 HydrophobicContact CD1-CZ 3.83Å; F156-F355 HydrophobicContact CZ-CD2 4.45Å; V247-F355 HydrophobicContact CG1-CE1 4.45Å; M271-F355 WeakPolarHBondContact O-CD1 3.19Å; F272-F355 HydrophobicContact CB-CE1 4.04Å; F272-F355 HydrophobicContact CB-CZ 4.47Å; F272-F355 HydrophobicContact CD2-CD1 4.33Å; F272-F355 HydrophobicContact CD2-CD2 4.42Å; F272-F355 AromaticContact CD2-CE1 3.94Å; F272-F355 HydrophobicContact CD2-CE1 3.94Å; F272-F355 HydrophobicContact CD2-CE2 4.03Å; F272-F355 AromaticContact CD2-CZ 3.78Å; F272-F355 HydrophobicContact CD2-CZ 3.78Å; F272-F355 HydrophobicContact CE2-CE2 4.47Å; L351-F355 HydrophobicContact CD1-CD2 4.23Å; L351-F355 HydrophobicContact CD1-CE2 3.94Å; L351-F355 HydrophobicContact CG-CD2 4.27Å; L351-F355 HydrophobicContact CG-CE2 4.1Å; L351-F355 WeakPolarHBondContact O-CD2 3.41Å; L351-F355 PolarHBondContact O-N 3Å; L351-F355 VanDerWaalsContact O-N 3.15Å; Q352-F355 CarbonylContact O-C 3.57Å; Q352-F355 WeakPolarHBondContact O-CB 3.26Å; Q352-F355 PolarHBondContact O-N 3.15Å; Q352-F355 VanDerWaalsContact O-N 3.09Å; F355-S358 CarbonylContact O-C 3.6Å; F355-S358 WeakPolarHBondContact O-CB 3.14Å; F355-S358 PolarHBondContact O-N 3.43Å; F355-R359 PolarHBondContact O-N 3.03Å
356	D	98.2	Very high	94.4	Very high	39 Å²	39	48 Å²	48	21%	0.209	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-46.6	177.6	-70.1	-37.1	0	0	0	111.4	Q352 L353 S358 R359 D360	Q352-D356 PolarHBondContact NE2-OD1 3.04Å; Q352-D356 VanDerWaalsContact NE2-OD1 3.13Å; Q352-D356 PolarHBondContact O-N 3.14Å; L353-D356 PolarHBondContact O-N 2.81Å; D356-S358 VanDerWaalsContact C-N 3.27Å; D356-S358 PolarHBondContact O-N 2.89Å; D356-R359 WeakPolarHBondContact O-CB 3.41Å; D356-R359 PolarHBondContact O-N 3.44Å; D356-R359 IonicContact OD1-CZ 2.67Å; D356-R359 IonicContact OD1-NH1 2.8Å; D356-R359 PolarHBondContact OD1-NH1 3.33Å; D356-R359 IonicContact OD1-NH2 3.44Å; D356-R359 PolarHBondContact OD1-NH2 2.77Å; D356-D360 VanDerWaalsContact O-CG 3.28Å; D356-D360 PolarHBondContact O-N 2.8Å
357	R	98.5	Very high	94.3	Very high	90 Å²	90	50.2 Å²	50.2	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-34.7	174.8	-73.9	-176.7	175.4	178.7	0.4	112.4	Q276 L353 D360 V361	Q276-R357 HydrophobicContact CB-CB 4.06Å; Q276-R357 HydrophobicContact CG-CB 4.18Å; L353-R357 HydrophobicContact CD1-CG 4.32Å; L353-R357 WeakPolarHBondContact O-CB 3.42Å; L353-R357 WeakPolarHBondContact O-CG 3.26Å; L353-R357 PolarHBondContact O-N 3.03Å; R357-D360 PolarHBondContact O-N 3.48Å; R357-V361 WeakPolarHBondContact O-CG2 3.4Å; R357-V361 PolarHBondContact O-N 2.83Å
358	S	98.8	Very high	94.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-42	174.5	-57.4	0	0	0	0	111.1	M271 D273 A354 F355 D356 D360 V361 C362	M271-S358 WeakPolarHBondContact CE-O 3.27Å; M271-S358 WeakPolarHBondContact O-CB 3.16Å; D273-S358 PolarHBondContact N-OG 2.69Å; A354-S358 WeakPolarHBondContact O-CB 3.26Å; A354-S358 PolarHBondContact O-N 3.41Å; A354-S358 PolarHBondContact O-OG 3.31Å; F355-S358 CarbonylContact O-C 3.6Å; F355-S358 WeakPolarHBondContact O-CB 3.14Å; F355-S358 PolarHBondContact O-N 3.43Å; D356-S358 VanDerWaalsContact C-N 3.27Å; D356-S358 PolarHBondContact O-N 2.89Å; S358-D360 VanDerWaalsContact C-N 3.32Å; S358-D360 PolarHBondContact O-N 3.37Å; S358-V361 WeakPolarHBondContact O-CB 3.07Å; S358-V361 PolarHBondContact O-N 3.02Å; S358-C362 PolarHBondContact O-N 2.87Å
359	R	98.6	Very high	93.4	Very high	58 Å²	58	46.3 Å²	46.3	22%	0.219	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-43.3	172.6	179.7	-164.2	60.6	-130.1	-6.5	111.3	L146 F355 D356 V361 C362 L363	L146-R359 HydrophobicContact CB-CG 4.18Å; L146-R359 HydrophobicContact CD2-CG 4.1Å; L146-R359 WeakPolarHBondContact O-CD 3.47Å; F355-R359 PolarHBondContact O-N 3.03Å; D356-R359 WeakPolarHBondContact O-CB 3.41Å; D356-R359 PolarHBondContact O-N 3.44Å; D356-R359 IonicContact OD1-CZ 2.67Å; D356-R359 IonicContact OD1-NH1 2.8Å; D356-R359 PolarHBondContact OD1-NH1 3.33Å; D356-R359 IonicContact OD1-NH2 3.44Å; D356-R359 PolarHBondContact OD1-NH2 2.77Å; R359-V361 PolarHBondContact O-N 3.28Å; R359-C362 CarbonylContact O-C 3.51Å; R359-C362 WeakPolarHBondContact O-CA 3.33Å; R359-C362 WeakPolarHBondContact O-CB 3.08Å; R359-C362 PolarHBondContact O-N 2.79Å; R359-L363 HydrophobicContact CG-CD1 4.24Å; R359-L363 PolarHBondContact O-N 3.45Å
360	D	98.4	Very high	92.3	Very high	86 Å²	86	43.5 Å²	43.5	46%	0.46	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-33.8	178.8	-64.7	-13.2	0	0	0	111.9	D356 R357 S358 L363	D356-D360 VanDerWaalsContact O-CG 3.28Å; D356-D360 PolarHBondContact O-N 2.8Å; R357-D360 PolarHBondContact O-N 3.48Å; S358-D360 VanDerWaalsContact C-N 3.32Å; S358-D360 PolarHBondContact O-N 3.37Å; D360-L363 PolarHBondContact O-N 2.89Å
361	V	98.6	Very high	91.4	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-46.3	170.1	174.8	0	0	0	0	110.7	A253 V257 M271 Q276 R357 S358 R359 L363 L364	A253-V361 HydrophobicContact CB-CG1 4.04Å; V257-V361 HydrophobicContact CG1-CG1 4.11Å; V257-V361 HydrophobicContact CG2-CG1 4.01Å; V257-V361 WeakPolarHBondContact CG2-O 3.41Å; M271-V361 HydrophobicContact CE-CB 3.98Å; M271-V361 HydrophobicContact CE-CG1 4.06Å; Q276-V361 HydrophobicContact CG-CG2 4.39Å; R357-V361 WeakPolarHBondContact O-CG2 3.4Å; R357-V361 PolarHBondContact O-N 2.83Å; S358-V361 WeakPolarHBondContact O-CB 3.07Å; S358-V361 PolarHBondContact O-N 3.02Å; R359-V361 PolarHBondContact O-N 3.28Å; V361-L363 PolarHBondContact O-N 3.37Å; V361-L364 HydrophobicContact CG1-CD1 4.35Å; V361-L364 WeakPolarHBondContact O-CB 3.3Å; V361-L364 WeakPolarHBondContact O-CG 3.23Å; V361-L364 PolarHBondContact O-N 2.98Å; V361-L364 VanDerWaalsContact O-N 3.11Å
362	C	98.6	Very high	90.5	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-24	176.4	-66.3	0	0	0	0	113.9	H140 L146 V268 M271 S358 R359 L364	H140-C362 PolarHBondContact NE2-O 3.16Å; L146-C362 HydrophobicContact CD1-CB 4.05Å; L146-C362 HydrophobicContact CD2-CB 3.84Å; V268-C362 WeakPolarHBondContact O-CB 3.48Å; V268-C362 PolarHBondContact O-SG 2.91Å; V268-C362 VanDerWaalsContact O-SG 3.39Å; M271-C362 WeakPolarHBondContact CB-SG 3.39Å; S358-C362 PolarHBondContact O-N 2.87Å; R359-C362 CarbonylContact O-C 3.51Å; R359-C362 WeakPolarHBondContact O-CA 3.33Å; R359-C362 WeakPolarHBondContact O-CB 3.08Å; R359-C362 PolarHBondContact O-N 2.79Å; C362-L364 VanDerWaalsContact C-N 3.3Å
363	L	97	Very high	89.5	Confident	36 Å²	36	48.3 Å²	48.3	19%	0.188	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.9	177.5	-78.3	168.8	0	0	0	113.9	K143 L146 R359 D360 V361	K143-L363 HydrophobicContact CG-CD2 4.28Å; L146-L363 HydrophobicContact CB-CD2 3.77Å; L146-L363 HydrophobicContact CB-CG 4.14Å; L146-L363 HydrophobicContact CD1-CD2 3.68Å; L146-L363 HydrophobicContact CD1-CG 3.97Å; L146-L363 HydrophobicContact CG-CD2 4.37Å; R359-L363 HydrophobicContact CG-CD1 4.24Å; R359-L363 PolarHBondContact O-N 3.45Å; D360-L363 PolarHBondContact O-N 2.89Å; V361-L363 PolarHBondContact O-N 3.37Å
364	L	95.4	Very high	88.6	Confident	63 Å²	63	53.2 Å²	53.2	33%	0.33	26%	0.264	S	S	.	.			trans	-60.1	139.1	176.6	-65.9	175.1	0	0	0	110.7	N254 V257 L258 Q261 V361 C362	N254-L364 HydrophobicContact CB-CD1 4.39Å; V257-L364 HydrophobicContact CG2-CB 4.28Å; V257-L364 HydrophobicContact CG2-CD1 4.2Å; L258-L364 HydrophobicContact CD2-CB 3.95Å; Q261-L364 PolarHBondContact NE2-O 3.29Å; V361-L364 HydrophobicContact CG1-CD1 4.35Å; V361-L364 WeakPolarHBondContact O-CB 3.3Å; V361-L364 WeakPolarHBondContact O-CG 3.23Å; V361-L364 PolarHBondContact O-N 2.98Å; V361-L364 VanDerWaalsContact O-N 3.11Å; C362-L364 VanDerWaalsContact C-N 3.3Å
365	V	91.1	Very high	87.9	Confident	42 Å²	42	54.9 Å²	54.9	26%	0.255	28%	0.276	S	S	.	.			trans	-120.2	136.7	177.9	-178.9	0	0	0	0	109.4	H140 N367	H140-V365 HydrophobicContact CB-CG2 3.71Å; V365-N367 PolarHBondContact O-N 3.44Å
366	L	84	Confident	86.9	Confident	32 Å²	32	54.6 Å²	54.6	17%	0.168	27%	0.274	C	S	.	.			trans	-63.3	121.6	175.1	-174.4	70.7	0	0	0	110.8	F109 L258 R262	F109-L366 HydrophobicContact CB-CB 4.49Å; F109-L366 HydrophobicContact CB-CD2 4.13Å; F109-L366 HydrophobicContact CB-CG 4.46Å; F109-L366 HydrophobicContact CD1-CB 4.06Å; F109-L366 HydrophobicContact CD1-CD2 4.29Å; F109-L366 HydrophobicContact CD2-CD2 3.72Å; F109-L366 HydrophobicContact CE2-CD2 4.2Å; F109-L366 HydrophobicContact CG-CB 4.25Å; F109-L366 HydrophobicContact CG-CD2 3.77Å; F109-L366 HydrophobicContact CG-CG 4.41Å; L258-L366 HydrophobicContact CD2-CB 4.43Å; R262-L366 HydrophobicContact CB-CD2 3.9Å; R262-L366 HydrophobicContact CG-CD2 3.87Å
367	N	79.4	Confident	86.1	Confident	55 Å²	55	54.3 Å²	54.3	29%	0.294	27%	0.273	S	S	.	.			trans	-109.2	115.1	173.4	-170	-11.7	0	0	0	110.3	V135 V365 H369	V135-N367 VanDerWaalsContact CG1-ND2 3.29Å; V135-N367 WeakPolarHBondContact CG1-ND2 3.39Å; V365-N367 PolarHBondContact O-N 3.44Å; N367-H369 PolarHBondContact O-N 3.4Å; N367-H369 VanDerWaalsContact O-N 3.15Å
368	I	75.9	Confident	85.4	Confident	27 Å²	27	55.2 Å²	55.2	14%	0.138	28%	0.281	C	S	.	.			trans	-79.1	99.7	174.9	-61.3	176.2	0	0	0	108	K107 F109 T370	K107-I368 WeakPolarHBondContact O-CD1 3.24Å; F109-I368 HydrophobicContact CB-CD1 3.76Å; F109-I368 HydrophobicContact CB-CG1 3.99Å; I368-T370 PolarHBondContact O-N 3.41Å
369	H	70.6	Confident	84.5	Confident	133 Å²	133	56 Å²	56	62%	0.616	29%	0.285	S	S	*	.			trans	-66	121.6	175.2	-66.3	-57	0	0	0	110.8	N367 L371	N367-H369 PolarHBondContact O-N 3.4Å; N367-H369 VanDerWaalsContact O-N 3.15Å; H369-L371 PolarHBondContact O-N 3.22Å
370	T	72.8	Confident	83.6	Confident	76 Å²	76	53.9 Å²	53.9	47%	0.466	28%	0.279	S	S	.	.			trans	-76.9	110.9	169.2	-57.5	0	0	0	0	108.3	K106 I368	K106-T370 HydrophobicContact CD-CG2 4.35Å; I368-T370 PolarHBondContact O-N 3.41Å
371	L	78.1	Confident	82.9	Confident	58 Å²	58	58.2 Å²	58.2	30%	0.304	29%	0.289	S	S	.	.			trans	-69	133.2	175.3	-66.1	-170.5	0	0	0	110	H369 F399 D403	H369-L371 PolarHBondContact O-N 3.22Å; L371-F399 HydrophobicContact CB-CE1 4.01Å; L371-F399 HydrophobicContact CD1-CE1 4.02Å; L371-F399 HydrophobicContact CD1-CZ 3.87Å; L371-F399 HydrophobicContact CD2-CZ 4.43Å; L371-F399 HydrophobicContact CG-CE1 4.47Å; L371-D403 HydrophobicContact CD1-CB 4.19Å; L371-D403 WeakPolarHBondContact CD1-OD1 3.42Å
372	T	76.6	Confident	82.2	Confident	62 Å²	62	65.3 Å²	65.3	38%	0.38	32%	0.319	S	S	.	.			trans	-124.4	173.4	-179.2	64.9	0	0	0	0	110.6	K374 S375 A376	T372-K374 PolarHBondContact O-N 3.49Å; T372-K374 PolarHBondContact OG1-N 3.01Å; T372-S375 PolarHBondContact N-OG 3.17Å; T372-S375 VanDerWaalsContact N-OG 3.11Å; T372-S375 WeakPolarHBondContact O-CA 3.33Å; T372-S375 WeakPolarHBondContact O-CB 3.36Å; T372-S375 PolarHBondContact O-N 3.31Å; T372-S375 PolarHBondContact O-OG 2.97Å; T372-A376 PolarHBondContact O-N 3.25Å
373	E	74.7	Confident	81.5	Confident	78 Å²	78	68.4 Å²	68.4	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-57.6	-28.6	171.3	-65.1	-169	165.2	0	0	112.8	S375 A376 D377 L400	E373-S375 VanDerWaalsContact C-N 3.27Å; E373-S375 PolarHBondContact O-N 3.28Å; E373-A376 WeakPolarHBondContact O-CB 3.4Å; E373-A376 PolarHBondContact O-N 2.89Å; E373-D377 PolarHBondContact O-N 3.28Å; E373-D377 VanDerWaalsContact O-N 3.15Å; E373-L400 HydrophobicContact CG-CD1 3.84Å
374	K	79.5	Confident	80.9	Confident	166 Å²	166	71.7 Å²	71.7	72%	0.722	36%	0.361	S	S	*	.	H	α-helix	trans	-65.4	-32	174.1	-64.4	-177.4	-179.8	177.4	0	111.9	T372 A376 D377 H378	T372-K374 PolarHBondContact O-N 3.49Å; T372-K374 PolarHBondContact OG1-N 3.01Å; K374-A376 VanDerWaalsContact C-N 3.33Å; K374-D377 WeakPolarHBondContact O-CB 3.43Å; K374-D377 PolarHBondContact O-N 2.67Å; K374-H378 PolarHBondContact O-N 3.15Å
375	S	82.8	Confident	80.3	Confident	35 Å²	35	70.3 Å²	70.3	25%	0.245	36%	0.355	C	S	.	.	H	α-helix	trans	-64.9	-39.2	174.6	-47.9	0	0	0	0	110.9	T372 E373 D377 H378 L379	T372-S375 PolarHBondContact N-OG 3.17Å; T372-S375 VanDerWaalsContact N-OG 3.11Å; T372-S375 WeakPolarHBondContact O-CA 3.33Å; T372-S375 WeakPolarHBondContact O-CB 3.36Å; T372-S375 PolarHBondContact O-N 3.31Å; T372-S375 PolarHBondContact O-OG 2.97Å; E373-S375 VanDerWaalsContact C-N 3.27Å; E373-S375 PolarHBondContact O-N 3.28Å; S375-D377 VanDerWaalsContact C-N 3.35Å; S375-D377 PolarHBondContact O-N 2.96Å; S375-H378 WeakPolarHBondContact O-CB 3.42Å; S375-H378 PolarHBondContact O-N 3.46Å; S375-L379 PolarHBondContact O-N 3.27Å; S375-L379 VanDerWaalsContact O-N 3.13Å
376	A	77	Confident	80.1	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-37.9	173.2	0	0	0	0	0	112.2	T372 E373 K374 H378 L379 C380 R396 F399	T372-A376 PolarHBondContact O-N 3.25Å; E373-A376 WeakPolarHBondContact O-CB 3.4Å; E373-A376 PolarHBondContact O-N 2.89Å; K374-A376 VanDerWaalsContact C-N 3.33Å; A376-H378 VanDerWaalsContact C-N 3.28Å; A376-H378 PolarHBondContact O-N 2.96Å; A376-L379 WeakPolarHBondContact O-CB 3.47Å; A376-L379 PolarHBondContact O-N 3.47Å; A376-L379 VanDerWaalsContact O-N 3.16Å; A376-C380 PolarHBondContact O-N 3.38Å; A376-C380 PolarHBondContact O-SG 3.35Å; A376-R396 HydrophobicContact CB-CB 4.31Å; A376-R396 HydrophobicContact CB-CG 3.9Å; A376-F399 HydrophobicContact CB-CB 3.8Å; A376-F399 HydrophobicContact CB-CD1 3.79Å; A376-F399 HydrophobicContact CB-CD2 4.2Å; A376-F399 HydrophobicContact CB-CE1 4.38Å; A376-F399 HydrophobicContact CB-CG 3.67Å
377	D	81.6	Confident	80.4	Confident	33 Å²	33	78.1 Å²	78.1	18%	0.176	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-31.9	174.3	-78.9	-5.7	0	0	0	113	E373 K374 S375 R381 K392 R396	E373-D377 PolarHBondContact O-N 3.28Å; E373-D377 VanDerWaalsContact O-N 3.15Å; K374-D377 WeakPolarHBondContact O-CB 3.43Å; K374-D377 PolarHBondContact O-N 2.67Å; S375-D377 VanDerWaalsContact C-N 3.35Å; S375-D377 PolarHBondContact O-N 2.96Å; D377-R381 WeakPolarHBondContact O-CG 3.36Å; D377-R381 PolarHBondContact O-N 3.18Å; D377-R381 PolarHBondContact O-NE 3.02Å; D377-K392 WeakPolarHBondContact OD1-CE 3.47Å; D377-K392 IonicContact OD1-NZ 3.41Å; D377-K392 IonicContact OD2-NZ 3.48Å; D377-R396 VanDerWaalsContact CG-NH2 3.28Å; D377-R396 IonicContact OD1-CZ 3.4Å; D377-R396 VanDerWaalsContact OD1-CZ 3.32Å; D377-R396 IonicContact OD1-NE 2.69Å; D377-R396 PolarHBondContact OD1-NE 3.37Å; D377-R396 IonicContact OD1-NH2 3.38Å; D377-R396 PolarHBondContact OD1-NH2 3.44Å; D377-R396 IonicContact OD2-CZ 2.84Å; D377-R396 IonicContact OD2-NE 3.6Å; D377-R396 IonicContact OD2-NH2 3.49Å; D377-R396 PolarHBondContact OD2-NH2 3.06Å
378	H	83.9	Confident	80.9	Confident	110 Å²	110	79.5 Å²	79.5	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-42.4	171.4	-177.6	75.4	0	0	0	111.2	K374 S375 A376 C380 R381 K382	K374-H378 PolarHBondContact O-N 3.15Å; S375-H378 WeakPolarHBondContact O-CB 3.42Å; S375-H378 PolarHBondContact O-N 3.46Å; A376-H378 VanDerWaalsContact C-N 3.28Å; A376-H378 PolarHBondContact O-N 2.96Å; H378-C380 PolarHBondContact O-N 3.01Å; H378-R381 PolarHBondContact O-N 2.92Å; H378-K382 WeakPolarHBondContact O-CB 3.18Å; H378-K382 PolarHBondContact O-N 2.9Å
379	L	80	Confident	81.6	Confident	16 Å²	16	82.2 Å²	82.2	8%	0.084	41%	0.405	C	S	.	.	H	α-helix	trans	-59.9	-44.2	175.1	-175.5	64.3	0	0	0	111.9	S375 A376 R381 K382 L383 F399 M422	S375-L379 PolarHBondContact O-N 3.27Å; S375-L379 VanDerWaalsContact O-N 3.13Å; A376-L379 WeakPolarHBondContact O-CB 3.47Å; A376-L379 PolarHBondContact O-N 3.47Å; A376-L379 VanDerWaalsContact O-N 3.16Å; L379-R381 VanDerWaalsContact C-N 3.29Å; L379-R381 PolarHBondContact O-N 3.45Å; L379-K382 PolarHBondContact O-N 2.88Å; L379-L383 HydrophobicContact CD1-CD1 3.8Å; L379-L383 HydrophobicContact CD1-CG 4.04Å; L379-L383 HydrophobicContact CG-CD1 3.85Å; L379-L383 HydrophobicContact CG-CG 4.38Å; L379-L383 WeakPolarHBondContact O-CB 3.31Å; L379-L383 WeakPolarHBondContact O-CG 3.34Å; L379-L383 PolarHBondContact O-N 3.38Å; L379-F399 HydrophobicContact CD2-CD2 3.98Å; L379-F399 HydrophobicContact CD2-CE2 4.19Å; L379-M422 HydrophobicContact CD2-CE 3.34Å
380	C	79	Confident	82.7	Confident	14 Å²	14	79.4 Å²	79.4	10%	0.095	39%	0.389	C	S	.	.	H	α-helix	trans	-54.4	-46	174.9	-63.9	0	0	0	0	112.3	A376 H378 S384 V385 L395	A376-C380 PolarHBondContact O-N 3.38Å; A376-C380 PolarHBondContact O-SG 3.35Å; H378-C380 PolarHBondContact O-N 3.01Å; C380-S384 PolarHBondContact O-N 3.11Å; C380-S384 VanDerWaalsContact O-N 3.16Å; C380-V385 PolarHBondContact O-N 3.36Å; C380-L395 WeakPolarHBondContact SG-CD2 3.26Å
381	R	83.5	Confident	83.7	Confident	177 Å²	177	77.5 Å²	77.5	67%	0.668	38%	0.375	S	S	*	.	H	α-helix	trans	-67.4	-44.8	179.9	-74.4	-176.9	-73.6	160.5	-4.2	111.5	D377 H378 L379 L383 S384	D377-R381 WeakPolarHBondContact O-CG 3.36Å; D377-R381 PolarHBondContact O-N 3.18Å; D377-R381 PolarHBondContact O-NE 3.02Å; H378-R381 PolarHBondContact O-N 2.92Å; L379-R381 VanDerWaalsContact C-N 3.29Å; L379-R381 PolarHBondContact O-N 3.45Å; R381-L383 VanDerWaalsContact C-N 3.28Å; R381-L383 PolarHBondContact O-N 2.93Å; R381-S384 PolarHBondContact O-N 3.42Å; R381-S384 VanDerWaalsContact O-N 3.14Å
382	K	85	Confident	84.4	Confident	155 Å²	155	78.1 Å²	78.1	67%	0.674	38%	0.375	S	S	*	.	H	α-helix	trans	-58.2	-41	177.2	-176.9	-179.2	177.5	-176.6	0	111.7	H378 L379 S384	H378-K382 WeakPolarHBondContact O-CB 3.18Å; H378-K382 PolarHBondContact O-N 2.9Å; L379-K382 PolarHBondContact O-N 2.88Å; K382-S384 VanDerWaalsContact C-N 3.32Å
383	L	83.1	Confident	85.2	Confident	68 Å²	68	76.1 Å²	76.1	36%	0.356	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.7	-179	-62.6	177.9	0	0	0	113.7	L379 R381 V385 D419 V423	L379-L383 HydrophobicContact CD1-CD1 3.8Å; L379-L383 HydrophobicContact CD1-CG 4.04Å; L379-L383 HydrophobicContact CG-CD1 3.85Å; L379-L383 HydrophobicContact CG-CG 4.38Å; L379-L383 WeakPolarHBondContact O-CB 3.31Å; L379-L383 WeakPolarHBondContact O-CG 3.34Å; L379-L383 PolarHBondContact O-N 3.38Å; R381-L383 VanDerWaalsContact C-N 3.28Å; R381-L383 PolarHBondContact O-N 2.93Å; L383-V385 HydrophobicContact CB-CG2 3.62Å; L383-V385 WeakPolarHBondContact O-CG2 3.35Å; L383-V385 PolarHBondContact O-N 2.9Å; L383-D419 HydrophobicContact CD1-CB 4.33Å; L383-V423 HydrophobicContact CD1-CG2 3.67Å
384	S	84.9	Confident	86.2	Confident	106 Å²	106	72.4 Å²	72.4	74%	0.741	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.3	-179.1	-59.4	0	0	0	0	114.7	C380 R381 K382	C380-S384 PolarHBondContact O-N 3.11Å; C380-S384 VanDerWaalsContact O-N 3.16Å; R381-S384 PolarHBondContact O-N 3.42Å; R381-S384 VanDerWaalsContact O-N 3.14Å; K382-S384 VanDerWaalsContact C-N 3.32Å
385	V	83.5	Confident	86.9	Confident	34 Å²	34	64.5 Å²	64.5	21%	0.206	31%	0.31	C	S	.	.			trans	-88.6	131.9	-175.2	-167.8	0	0	0	0	110.9	C380 L383 L387 V423 E427	C380-V385 PolarHBondContact O-N 3.36Å; L383-V385 HydrophobicContact CB-CG2 3.62Å; L383-V385 WeakPolarHBondContact O-CG2 3.35Å; L383-V385 PolarHBondContact O-N 2.9Å; V385-L387 HydrophobicContact CB-CG 4.42Å; V385-L387 HydrophobicContact CG1-CD1 4.32Å; V385-L387 HydrophobicContact CG1-CD2 3.53Å; V385-L387 HydrophobicContact CG1-CG 3.69Å; V385-V423 HydrophobicContact CB-CG1 4.49Å; V385-V423 HydrophobicContact CG1-CG1 3.88Å; V385-V423 HydrophobicContact CG2-CG1 3.91Å; V385-V423 HydrophobicContact CG2-CG2 4.4Å; V385-E427 VanDerWaalsContact CG1-OE1 3.3Å; V385-E427 WeakPolarHBondContact CG1-OE1 2.8Å
386	K	86.4	Confident	87.4	Confident	207 Å²	207	64.9 Å²	64.9	90%	0.9	31%	0.306	S	S	*	.			trans	-97	98.1	175	-67.6	-173.4	-179.3	-178.2	0	110.6
387	L	88.9	Confident	88.3	Confident	31 Å²	31	68 Å²	68	16%	0.162	32%	0.318	C	S	.	.			trans	-108.6	140.2	180	-60.8	-177	0	0	0	111.3	V385 Q391 K392 L395 E427	V385-L387 HydrophobicContact CB-CG 4.42Å; V385-L387 HydrophobicContact CG1-CD1 4.32Å; V385-L387 HydrophobicContact CG1-CD2 3.53Å; V385-L387 HydrophobicContact CG1-CG 3.69Å; L387-Q391 HydrophobicContact CB-CB 3.79Å; L387-Q391 HydrophobicContact CD1-CB 4.42Å; L387-Q391 HydrophobicContact CD2-CB 4.03Å; L387-Q391 HydrophobicContact CG-CB 4.28Å; L387-K392 HydrophobicContact CB-CB 4.23Å; L387-L395 HydrophobicContact CD1-CB 4.13Å; L387-L395 HydrophobicContact CD1-CD2 3.55Å; L387-L395 HydrophobicContact CD1-CG 4.49Å; L387-E427 HydrophobicContact CD2-CG 3.4Å; L387-E427 VanDerWaalsContact CD2-CG 3.4Å
388	N	90.7	Very high	89	Confident	83 Å²	83	66.5 Å²	66.5	44%	0.444	31%	0.309	S	S	.	.			trans	-69.4	172.7	168.7	71.8	43.5	0	0	0	111.1	R390 Q391 K392	N388-R390 VanDerWaalsContact C-N 3.31Å; N388-R390 PolarHBondContact O-N 3.05Å; N388-R390 WeakPolarHBondContact OD1-CB 3.39Å; N388-R390 PolarHBondContact OD1-N 3.17Å; N388-Q391 VanDerWaalsContact CG-OE1 3.23Å; N388-Q391 VanDerWaalsContact ND2-CD 3.27Å; N388-Q391 PolarHBondContact ND2-OE1 2.95Å; N388-Q391 VanDerWaalsContact ND2-OE1 3.14Å; N388-Q391 PolarHBondContact O-N 3.38Å; N388-Q391 WeakPolarHBondContact OD1-CG 3.37Å; N388-Q391 PolarHBondContact OD1-N 3.12Å; N388-K392 WeakPolarHBondContact O-CB 3.45Å; N388-K392 PolarHBondContact O-N 2.85Å
389	H	90.5	Very high	89.5	Confident	85 Å²	85	62 Å²	62	39%	0.394	29%	0.288	S	S	.	.	H	α-helix	trans	-54.9	-44.2	-176.4	178.6	64.6	0	0	0	113.3	K392 Q393 V467	H389-K392 PolarHBondContact O-N 3.07Å; H389-Q393 PolarHBondContact O-N 3.08Å; H389-V467 VanDerWaalsContact CD2-CG2 3.42Å; H389-V467 WeakPolarHBondContact CD2-CG2 3.39Å; H389-V467 WeakPolarHBondContact NE2-CG2 3.5Å
390	R	94.2	Very high	90.1	Very high	73 Å²	73	64 Å²	64	28%	0.275	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-47.7	179.2	-63.2	-177.1	170	147.8	8.3	111.7	N388 Q393 A394 L429 A461 R462 L464 D466	N388-R390 VanDerWaalsContact C-N 3.31Å; N388-R390 PolarHBondContact O-N 3.05Å; N388-R390 WeakPolarHBondContact OD1-CB 3.39Å; N388-R390 PolarHBondContact OD1-N 3.17Å; R390-Q393 PolarHBondContact O-N 3.31Å; R390-A394 PolarHBondContact O-N 3.05Å; R390-L429 HydrophobicContact CB-CD1 4.37Å; R390-A461 WeakPolarHBondContact CB-O 3.49Å; R390-A461 WeakPolarHBondContact CG-O 3.47Å; R390-R462 VanDerWaalsContact CD-O 3.25Å; R390-R462 WeakPolarHBondContact CD-O 3.4Å; R390-R462 PolarHBondContact NE-O 2.91Å; R390-R462 VanDerWaalsContact NE-O 3.09Å; R390-L464 HydrophobicContact CG-CB 4.26Å; R390-L464 VanDerWaalsContact CZ-O 3.22Å; R390-L464 PolarHBondContact NE-O 2.95Å; R390-L464 PolarHBondContact NH2-O 3.27Å; R390-D466 IonicContact CZ-OD1 2.74Å; R390-D466 IonicContact NE-OD1 3.42Å; R390-D466 IonicContact NH1-OD1 2.67Å; R390-D466 IonicContact NH2-OD1 3.61Å; R390-D466 PolarHBondContact NH2-OD1 3.45Å
391	Q	94.1	Very high	90.9	Very high	36 Å²	36	64.4 Å²	64.4	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-40.7	179.9	-65.9	170.3	-38.4	0	0	111.4	L387 N388 Q393 A394 L395 A426 E427 L429	L387-Q391 HydrophobicContact CB-CB 3.79Å; L387-Q391 HydrophobicContact CD1-CB 4.42Å; L387-Q391 HydrophobicContact CD2-CB 4.03Å; L387-Q391 HydrophobicContact CG-CB 4.28Å; N388-Q391 VanDerWaalsContact CG-OE1 3.23Å; N388-Q391 VanDerWaalsContact ND2-CD 3.27Å; N388-Q391 PolarHBondContact ND2-OE1 2.95Å; N388-Q391 VanDerWaalsContact ND2-OE1 3.14Å; N388-Q391 PolarHBondContact O-N 3.38Å; N388-Q391 WeakPolarHBondContact OD1-CG 3.37Å; N388-Q391 PolarHBondContact OD1-N 3.12Å; Q391-Q393 VanDerWaalsContact C-N 3.33Å; Q391-Q393 PolarHBondContact O-N 3.03Å; Q391-A394 WeakPolarHBondContact O-CB 3.38Å; Q391-A394 PolarHBondContact O-N 3.27Å; Q391-L395 PolarHBondContact O-N 3.26Å; Q391-A426 WeakPolarHBondContact CB-O 3.42Å; Q391-A426 VanDerWaalsContact CG-O 3.31Å; Q391-A426 WeakPolarHBondContact CG-O 3.06Å; Q391-E427 PolarHBondContact NE2-O 2.82Å; Q391-L429 HydrophobicContact CG-CD1 4.13Å; Q391-L429 HydrophobicContact CG-CG 4.42Å
392	K	92.4	Very high	91.6	Very high	71 Å²	71	56.7 Å²	56.7	31%	0.309	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-41.1	176	-169.8	176.9	179.9	-174.9	0	111.3	D377 L387 N388 H389 L395 R396	D377-K392 WeakPolarHBondContact OD1-CE 3.47Å; D377-K392 IonicContact OD1-NZ 3.41Å; D377-K392 IonicContact OD2-NZ 3.48Å; L387-K392 HydrophobicContact CB-CB 4.23Å; N388-K392 WeakPolarHBondContact O-CB 3.45Å; N388-K392 PolarHBondContact O-N 2.85Å; H389-K392 PolarHBondContact O-N 3.07Å; K392-L395 PolarHBondContact O-N 3.48Å; K392-R396 WeakPolarHBondContact O-CG 3.25Å; K392-R396 PolarHBondContact O-N 3.37Å; K392-R396 VanDerWaalsContact O-N 3.09Å
393	Q	93.4	Very high	92	Very high	20 Å²	20	49.6 Å²	49.6	9%	0.093	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-39.3	176.1	-164.3	59.7	30.3	0	0	112.2	H389 R390 Q391 L395 R396 W397 L464	H389-Q393 PolarHBondContact O-N 3.08Å; R390-Q393 PolarHBondContact O-N 3.31Å; Q391-Q393 VanDerWaalsContact C-N 3.33Å; Q391-Q393 PolarHBondContact O-N 3.03Å; Q393-L395 VanDerWaalsContact C-N 3.31Å; Q393-L395 PolarHBondContact O-N 2.98Å; Q393-R396 PolarHBondContact O-N 3.44Å; Q393-W397 HydrophobicContact CG-CD2 4.08Å; Q393-W397 HydrophobicContact CG-CE3 4.27Å; Q393-W397 HydrophobicContact CG-CH2 3.92Å; Q393-W397 HydrophobicContact CG-CZ2 3.71Å; Q393-W397 HydrophobicContact CG-CZ3 4.2Å; Q393-W397 PolarHBondContact O-N 3.35Å; Q393-L464 HydrophobicContact CB-CD1 3.62Å; Q393-L464 HydrophobicContact CG-CD1 3.63Å
394	A	95.1	Very high	92.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.2	-46.7	171.8	0	0	0	0	0	111.3	R390 Q391 R396 W397 L398 A426 L429 L458 A461	R390-A394 PolarHBondContact O-N 3.05Å; Q391-A394 WeakPolarHBondContact O-CB 3.38Å; Q391-A394 PolarHBondContact O-N 3.27Å; A394-R396 PolarHBondContact O-N 3.46Å; A394-W397 PolarHBondContact O-N 2.92Å; A394-L398 WeakPolarHBondContact O-CB 3.31Å; A394-L398 VanDerWaalsContact O-CG 3.26Å; A394-L398 WeakPolarHBondContact O-CG 3.41Å; A394-L398 PolarHBondContact O-N 3.31Å; A394-A426 HydrophobicContact CB-CB 4.17Å; A394-L429 HydrophobicContact CB-CD2 3.57Å; A394-L458 HydrophobicContact CB-CD2 4.25Å; A394-A461 HydrophobicContact CB-CB 3.57Å
395	L	94.4	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-42	178.8	-175.9	54.7	0	0	0	112.3	C380 L387 Q391 K392 Q393 L398 F399 M422 V423 A426	C380-L395 WeakPolarHBondContact SG-CD2 3.26Å; L387-L395 HydrophobicContact CD1-CB 4.13Å; L387-L395 HydrophobicContact CD1-CD2 3.55Å; L387-L395 HydrophobicContact CD1-CG 4.49Å; Q391-L395 PolarHBondContact O-N 3.26Å; K392-L395 PolarHBondContact O-N 3.48Å; Q393-L395 VanDerWaalsContact C-N 3.31Å; Q393-L395 PolarHBondContact O-N 2.98Å; L395-L398 PolarHBondContact O-N 2.96Å; L395-F399 VanDerWaalsContact O-CB 3.25Å; L395-F399 WeakPolarHBondContact O-CB 3.3Å; L395-F399 PolarHBondContact O-N 3.21Å; L395-M422 HydrophobicContact CD1-CB 4.48Å; L395-M422 HydrophobicContact CD1-CE 3.92Å; L395-M422 HydrophobicContact CD1-CG 3.73Å; L395-M422 HydrophobicContact CD1-SD 4.21Å; L395-V423 HydrophobicContact CD1-CG2 4.26Å; L395-V423 HydrophobicContact CD2-CG2 4.3Å; L395-A426 HydrophobicContact CB-CB 3.74Å; L395-A426 HydrophobicContact CD1-CB 4.28Å
396	R	93.8	Very high	93.6	Very high	43 Å²	43	44.4 Å²	44.4	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-47	175.3	-71.7	170	178.5	172.8	-11.2	112.1	A376 D377 K392 Q393 A394 F399 L400	A376-R396 HydrophobicContact CB-CB 4.31Å; A376-R396 HydrophobicContact CB-CG 3.9Å; D377-R396 VanDerWaalsContact CG-NH2 3.28Å; D377-R396 IonicContact OD1-CZ 3.4Å; D377-R396 VanDerWaalsContact OD1-CZ 3.32Å; D377-R396 IonicContact OD1-NE 2.69Å; D377-R396 PolarHBondContact OD1-NE 3.37Å; D377-R396 IonicContact OD1-NH2 3.38Å; D377-R396 PolarHBondContact OD1-NH2 3.44Å; D377-R396 IonicContact OD2-CZ 2.84Å; D377-R396 IonicContact OD2-NE 3.6Å; D377-R396 IonicContact OD2-NH2 3.49Å; D377-R396 PolarHBondContact OD2-NH2 3.06Å; K392-R396 WeakPolarHBondContact O-CG 3.25Å; K392-R396 PolarHBondContact O-N 3.37Å; K392-R396 VanDerWaalsContact O-N 3.09Å; Q393-R396 PolarHBondContact O-N 3.44Å; A394-R396 PolarHBondContact O-N 3.46Å; R396-F399 WeakPolarHBondContact O-CB 3.48Å; R396-F399 PolarHBondContact O-N 3.28Å; R396-L400 WeakPolarHBondContact O-CG 3.44Å; R396-L400 PolarHBondContact O-N 2.93Å
397	W	95.4	Very high	94	Very high	67 Å²	67	35.1 Å²	35.1	25%	0.254	16%	0.159	S	C	.	.	H	α-helix	trans	-69.8	-37.6	-179.9	-69	-24	0	0	0	113	Q393 A394 F399 L400 W401 I457 T460 A461 L464	Q393-W397 HydrophobicContact CG-CD2 4.08Å; Q393-W397 HydrophobicContact CG-CE3 4.27Å; Q393-W397 HydrophobicContact CG-CH2 3.92Å; Q393-W397 HydrophobicContact CG-CZ2 3.71Å; Q393-W397 HydrophobicContact CG-CZ3 4.2Å; Q393-W397 PolarHBondContact O-N 3.35Å; A394-W397 PolarHBondContact O-N 2.92Å; W397-F399 VanDerWaalsContact C-N 3.29Å; W397-F399 PolarHBondContact O-N 3.49Å; W397-L400 PolarHBondContact O-N 3.44Å; W397-W401 WeakPolarHBondContact O-CB 3.43Å; W397-W401 PolarHBondContact O-N 3.38Å; W397-I457 HydrophobicContact CB-CG2 3.46Å; W397-I457 VanDerWaalsContact CB-CG2 3.46Å; W397-I457 HydrophobicContact CE3-CG2 4.27Å; W397-I457 HydrophobicContact CG-CG2 4.47Å; W397-T460 HydrophobicContact CH2-CG2 3.72Å; W397-T460 HydrophobicContact CZ3-CG2 3.57Å; W397-A461 HydrophobicContact CE3-CB 3.97Å; W397-A461 HydrophobicContact CZ3-CB 3.81Å; W397-L464 HydrophobicContact CH2-CD1 4.19Å; W397-L464 HydrophobicContact CH2-CD2 4.32Å; W397-L464 HydrophobicContact CZ3-CD1 4.47Å
398	L	96	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-39.2	171.1	-70.4	176.3	0	0	0	111.6	A394 L395 W401 R402 M422 L425 A426 V454 I457 L458	A394-L398 WeakPolarHBondContact O-CB 3.31Å; A394-L398 VanDerWaalsContact O-CG 3.26Å; A394-L398 WeakPolarHBondContact O-CG 3.41Å; A394-L398 PolarHBondContact O-N 3.31Å; L395-L398 PolarHBondContact O-N 2.96Å; L398-W401 PolarHBondContact O-N 2.91Å; L398-R402 VanDerWaalsContact O-CB 3.23Å; L398-R402 WeakPolarHBondContact O-CB 3.43Å; L398-R402 PolarHBondContact O-N 2.87Å; L398-M422 HydrophobicContact CB-CG 3.76Å; L398-M422 HydrophobicContact CB-SD 4.13Å; L398-M422 HydrophobicContact CD1-CG 4.14Å; L398-L425 HydrophobicContact CD1-CB 4.01Å; L398-A426 HydrophobicContact CD1-CB 4.26Å; L398-V454 HydrophobicContact CD2-CG1 3.76Å; L398-I457 HydrophobicContact CD2-CG2 4.15Å; L398-I457 HydrophobicContact CG-CG2 4.34Å; L398-L458 HydrophobicContact CD1-CD2 4.07Å
399	F	94.6	Very high	94.4	Very high	16 Å²	16	37.9 Å²	37.9	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-43.9	177.2	-179.2	-87	0	0	0	111.8	L371 A376 L379 L395 R396 W397 R402 D403 M422	L371-F399 HydrophobicContact CB-CE1 4.01Å; L371-F399 HydrophobicContact CD1-CE1 4.02Å; L371-F399 HydrophobicContact CD1-CZ 3.87Å; L371-F399 HydrophobicContact CD2-CZ 4.43Å; L371-F399 HydrophobicContact CG-CE1 4.47Å; A376-F399 HydrophobicContact CB-CB 3.8Å; A376-F399 HydrophobicContact CB-CD1 3.79Å; A376-F399 HydrophobicContact CB-CD2 4.2Å; A376-F399 HydrophobicContact CB-CE1 4.38Å; A376-F399 HydrophobicContact CB-CG 3.67Å; L379-F399 HydrophobicContact CD2-CD2 3.98Å; L379-F399 HydrophobicContact CD2-CE2 4.19Å; L395-F399 VanDerWaalsContact O-CB 3.25Å; L395-F399 WeakPolarHBondContact O-CB 3.3Å; L395-F399 PolarHBondContact O-N 3.21Å; R396-F399 WeakPolarHBondContact O-CB 3.48Å; R396-F399 PolarHBondContact O-N 3.28Å; W397-F399 VanDerWaalsContact C-N 3.29Å; W397-F399 PolarHBondContact O-N 3.49Å; F399-R402 PolarHBondContact O-N 3.3Å; F399-D403 PolarHBondContact O-N 3Å; F399-M422 HydrophobicContact CB-CE 4.48Å; F399-M422 HydrophobicContact CB-SD 4.12Å; F399-M422 HydrophobicContact CD2-CE 4.06Å
400	L	93.9	Very high	94.6	Very high	57 Å²	57	34.4 Å²	34.4	30%	0.298	16%	0.159	S	C	.	.	H	α-helix	trans	-67	-43.4	175.8	-67.7	177.7	0	0	0	112.3	E373 R396 W397 R402 D403 E404	E373-L400 HydrophobicContact CG-CD1 3.84Å; R396-L400 WeakPolarHBondContact O-CG 3.44Å; R396-L400 PolarHBondContact O-N 2.93Å; W397-L400 PolarHBondContact O-N 3.44Å; L400-R402 VanDerWaalsContact C-N 3.28Å; L400-R402 PolarHBondContact O-N 3.44Å; L400-D403 PolarHBondContact O-N 3.34Å; L400-E404 PolarHBondContact O-N 3.19Å
401	W	95.8	Very high	94.7	Very high	23 Å²	23	31.2 Å²	31.2	9%	0.087	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-43	173.9	165.8	82	0	0	0	111.4	W397 L398 E404 T405 V416 L417 L447 D450 V454 I457	W397-W401 WeakPolarHBondContact O-CB 3.43Å; W397-W401 PolarHBondContact O-N 3.38Å; L398-W401 PolarHBondContact O-N 2.91Å; W401-E404 PolarHBondContact O-N 3.42Å; W401-T405 HydrophobicContact CZ2-CG2 4.31Å; W401-T405 PolarHBondContact NE1-OG1 2.88Å; W401-T405 VanDerWaalsContact O-CB 3.3Å; W401-T405 WeakPolarHBondContact O-CB 3.41Å; W401-T405 PolarHBondContact O-N 3.02Å; W401-T405 PolarHBondContact O-OG1 3.45Å; W401-V416 HydrophobicContact CH2-CG1 3.88Å; W401-V416 HydrophobicContact CZ3-CG1 3.96Å; W401-L417 HydrophobicContact CE3-CD2 4.43Å; W401-L417 HydrophobicContact CZ3-CB 4.04Å; W401-L417 HydrophobicContact CZ3-CD2 3.84Å; W401-L447 HydrophobicContact CH2-CB 4.49Å; W401-L447 HydrophobicContact CH2-CD1 4.14Å; W401-D450 HydrophobicContact CZ2-CB 4.08Å; W401-D450 PolarHBondContact NE1-OD2 3.41Å; W401-V454 HydrophobicContact CD2-CG2 3.77Å; W401-V454 VanDerWaalsContact CE2-CG2 3.49Å; W401-V454 HydrophobicContact CE3-CG2 4.02Å; W401-V454 HydrophobicContact CG-CG2 4.5Å; W401-V454 HydrophobicContact CH2-CG2 3.81Å; W401-V454 HydrophobicContact CZ2-CG2 3.52Å; W401-V454 HydrophobicContact CZ3-CG2 4.05Å; W401-I457 HydrophobicContact CB-CD1 3.64Å; W401-I457 HydrophobicContact CG-CD1 3.87Å
402	R	96.3	Very high	94.7	Very high	15 Å²	15	30.1 Å²	30.1	6%	0.057	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-45.8	178.2	-177.4	178.1	75	168.7	0.2	111.2	L398 F399 L400 T405 A406 A413 V416 L417 D419	L398-R402 VanDerWaalsContact O-CB 3.23Å; L398-R402 WeakPolarHBondContact O-CB 3.43Å; L398-R402 PolarHBondContact O-N 2.87Å; F399-R402 PolarHBondContact O-N 3.3Å; L400-R402 VanDerWaalsContact C-N 3.28Å; L400-R402 PolarHBondContact O-N 3.44Å; R402-T405 PolarHBondContact O-N 3.45Å; R402-A406 WeakPolarHBondContact O-CB 3.49Å; R402-A406 PolarHBondContact O-N 3.03Å; R402-A413 WeakPolarHBondContact CD-O 3.44Å; R402-A413 HydrophobicContact CG-CB 4.47Å; R402-V416 HydrophobicContact CB-CG1 4.49Å; R402-V416 HydrophobicContact CG-CB 4.05Å; R402-V416 HydrophobicContact CG-CG1 3.86Å; R402-L417 WeakPolarHBondContact CD-O 3.25Å; R402-L417 HydrophobicContact CG-CB 4.27Å; R402-L417 PolarHBondContact NH1-O 3.38Å; R402-D419 IonicContact CZ-OD1 3.44Å; R402-D419 VanDerWaalsContact CZ-OD1 3.28Å; R402-D419 IonicContact NH1-OD1 3.14Å; R402-D419 PolarHBondContact NH1-OD1 2.89Å; R402-D419 IonicContact NH2-OD1 2.69Å; R402-D419 PolarHBondContact NH2-OD1 3.32Å
403	D	94.4	Very high	94.8	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-47.6	176.7	-176.7	62.5	0	0	0	111.6	Y207 L371 F399 L400 T405 A406 R407	Y207-D403 PolarHBondContact OH-OD1 2.95Å; L371-D403 HydrophobicContact CD1-CB 4.19Å; L371-D403 WeakPolarHBondContact CD1-OD1 3.42Å; F399-D403 PolarHBondContact O-N 3Å; L400-D403 PolarHBondContact O-N 3.34Å; D403-T405 PolarHBondContact O-N 3.27Å; D403-A406 PolarHBondContact O-N 3.26Å; D403-R407 VanDerWaalsContact O-CG 3.29Å; D403-R407 WeakPolarHBondContact O-CG 3.45Å; D403-R407 PolarHBondContact O-N 3.15Å; D403-R407 IonicContact OD1-NE 3.54Å; D403-R407 PolarHBondContact OD1-NE 3.13Å; D403-R407 IonicContact OD1-NH2 3.77Å; D403-R407 IonicContact OD2-CZ 3.65Å; D403-R407 IonicContact OD2-NE 3.02Å; D403-R407 PolarHBondContact OD2-NE 3.16Å; D403-R407 IonicContact OD2-NH2 2.72Å
404	E	94.3	Very high	94.9	Very high	87 Å²	87	34.8 Å²	34.8	41%	0.407	17%	0.168	S	C	.	.	H	α-helix	trans	-63.2	-45.3	-179.9	-163.8	64.3	-144.2	0	0	111.5	K106 L400 W401 A406 R407 V408	K106-E404 IonicContact NZ-OE2 2.73Å; K106-E404 PolarHBondContact NZ-OE2 2.97Å; L400-E404 PolarHBondContact O-N 3.19Å; W401-E404 PolarHBondContact O-N 3.42Å; E404-A406 VanDerWaalsContact C-N 3.33Å; E404-A406 PolarHBondContact O-N 3.09Å; E404-R407 PolarHBondContact O-N 2.9Å; E404-V408 WeakPolarHBondContact O-CB 3.42Å; E404-V408 VanDerWaalsContact O-CG2 3.3Å; E404-V408 WeakPolarHBondContact O-CG2 3.38Å; E404-V408 PolarHBondContact O-N 3.26Å
405	T	96.2	Very high	94.9	Very high	12 Å²	12	37.6 Å²	37.6	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-41.8	177.1	-56.6	0	0	0	0	111.3	W401 R402 D403 H409 V416 L446	W401-T405 HydrophobicContact CZ2-CG2 4.31Å; W401-T405 PolarHBondContact NE1-OG1 2.88Å; W401-T405 VanDerWaalsContact O-CB 3.3Å; W401-T405 WeakPolarHBondContact O-CB 3.41Å; W401-T405 PolarHBondContact O-N 3.02Å; W401-T405 PolarHBondContact O-OG1 3.45Å; R402-T405 PolarHBondContact O-N 3.45Å; D403-T405 PolarHBondContact O-N 3.27Å; T405-H409 WeakPolarHBondContact O-CB 3.41Å; T405-H409 PolarHBondContact O-CD2 3.43Å; T405-H409 PolarHBondContact O-N 3.41Å; T405-V416 HydrophobicContact CG2-CG1 3.76Å; T405-V416 HydrophobicContact CG2-CG2 4.3Å; T405-L446 HydrophobicContact CG2-CB 4.17Å; T405-L446 HydrophobicContact CG2-CD1 4.23Å
406	A	95.7	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-43	177.8	0	0	0	0	0	111.5	Y207 R402 D403 E404 D410 E411 V416	Y207-A406 HydrophobicContact CD2-CB 3.58Å; Y207-A406 HydrophobicContact CE2-CB 3.89Å; R402-A406 WeakPolarHBondContact O-CB 3.49Å; R402-A406 PolarHBondContact O-N 3.03Å; D403-A406 PolarHBondContact O-N 3.26Å; E404-A406 VanDerWaalsContact C-N 3.33Å; E404-A406 PolarHBondContact O-N 3.09Å; A406-D410 VanDerWaalsContact O-CA 3.3Å; A406-D410 WeakPolarHBondContact O-CA 3.43Å; A406-D410 PolarHBondContact O-N 3.22Å; A406-E411 VanDerWaalsContact CB-O 3.31Å; A406-E411 WeakPolarHBondContact CB-O 3.3Å; A406-E411 PolarHBondContact O-N 3.49Å; A406-V416 HydrophobicContact CB-CG2 3.8Å
407	R	94.3	Very high	95.1	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.045	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-51.7	176	-71.4	171.4	-179.2	-80.7	-3.2	112.3	N104 S105 Y207 D403 E404 H409 D410	N104-R407 HydrophobicContact CB-CB 3.94Å; N104-R407 HydrophobicContact CB-CG 4.24Å; N104-R407 WeakPolarHBondContact CB-O 3.46Å; N104-R407 PolarHBondContact ND2-O 3.49Å; N104-R407 WeakPolarHBondContact O-CD 3.43Å; N104-R407 VanDerWaalsContact O-CG 3.31Å; N104-R407 WeakPolarHBondContact O-CG 3.39Å; N104-R407 PolarHBondContact O-NH1 2.75Å; S105-R407 PolarHBondContact O-NH1 3.02Å; Y207-R407 HydrophobicContact CD1-CG 3.96Å; Y207-R407 HydrophobicContact CD2-CG 4.17Å; Y207-R407 HydrophobicContact CE1-CG 3.62Å; Y207-R407 HydrophobicContact CE2-CG 3.78Å; Y207-R407 HydrophobicContact CG-CG 4.25Å; Y207-R407 PolarHBondContact OH-NE 3.49Å; Y207-R407 PolarHBondContact OH-NH2 2.9Å; D403-R407 VanDerWaalsContact O-CG 3.29Å; D403-R407 WeakPolarHBondContact O-CG 3.45Å; D403-R407 PolarHBondContact O-N 3.15Å; D403-R407 IonicContact OD1-NE 3.54Å; D403-R407 PolarHBondContact OD1-NE 3.13Å; D403-R407 IonicContact OD1-NH2 3.77Å; D403-R407 IonicContact OD2-CZ 3.65Å; D403-R407 IonicContact OD2-NE 3.02Å; D403-R407 PolarHBondContact OD2-NE 3.16Å; D403-R407 IonicContact OD2-NH2 2.72Å; E404-R407 PolarHBondContact O-N 2.9Å; R407-H409 VanDerWaalsContact C-N 3.32Å; R407-H409 PolarHBondContact O-N 3.22Å; R407-D410 PolarHBondContact O-N 3.07Å
408	V	94	Very high	95.1	Very high	102 Å²	102	32.9 Å²	32.9	62%	0.618	16%	0.163	S	C	*	.	H	α-helix	trans	-60.1	-43.2	-177	167.7	0	0	0	0	111.3	E404	E404-V408 WeakPolarHBondContact O-CB 3.42Å; E404-V408 VanDerWaalsContact O-CG2 3.3Å; E404-V408 WeakPolarHBondContact O-CG2 3.38Å; E404-V408 PolarHBondContact O-N 3.26Å
409	H	94	Very high	95	Very high	69 Å²	69	35.5 Å²	35.5	32%	0.319	18%	0.177	S	C	.	.	H	α-helix	trans	-89.8	-2.7	-179.1	-68.2	-66.6	0	0	0	113.7	R93 T405 R407 E411 L446	R93-H409 PolarHBondContact NH1-O 2.84Å; R93-H409 PolarHBondContact NH2-O 3.17Å; T405-H409 WeakPolarHBondContact O-CB 3.41Å; T405-H409 PolarHBondContact O-CD2 3.43Å; T405-H409 PolarHBondContact O-N 3.41Å; R407-H409 VanDerWaalsContact C-N 3.32Å; R407-H409 PolarHBondContact O-N 3.22Å; H409-E411 HydrophobicContact CB-CG 4.05Å; H409-L446 HydrophobicContact CB-CD1 4Å; H409-L446 HydrophobicContact CB-CD2 4.46Å
410	D	95.1	Very high	94.9	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.064	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	56.8	-171.2	-179.1	49.7	0	0	0	112	R93 Q95 N104 S206 Y207 A406 R407	R93-D410 PolarHBondContact NH2-O 2.72Å; R93-D410 IonicContact NH2-OD2 3.92Å; R93-D410 PolarHBondContact NH2-OD2 2.89Å; Q95-D410 PolarHBondContact NE2-OD2 2.62Å; N104-D410 WeakPolarHBondContact ND2-CA 3.31Å; N104-D410 VanDerWaalsContact ND2-CB 3.29Å; N104-D410 WeakPolarHBondContact ND2-CB 3.41Å; N104-D410 PolarHBondContact ND2-OD1 3.44Å; S206-D410 WeakPolarHBondContact CA-O 3.46Å; S206-D410 PolarHBondContact OG-OD1 3.05Å; Y207-D410 PolarHBondContact N-OD1 3.5Å; A406-D410 VanDerWaalsContact O-CA 3.3Å; A406-D410 WeakPolarHBondContact O-CA 3.43Å; A406-D410 PolarHBondContact O-N 3.22Å; R407-D410 PolarHBondContact O-N 3.07Å
411	E	95.3	Very high	94.9	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.028	19%	0.187	C	C	.	.			trans	-128.7	156.4	179.4	-66.6	-72	-174.4	0	0	109.9	R93 R205 Y207 A406 H409 Y415 V416 L446	R93-E411 IonicContact CZ-OE1 3.32Å; R93-E411 IonicContact NE-OE1 3.44Å; R93-E411 IonicContact NH1-OE1 2.81Å; R93-E411 PolarHBondContact NH1-OE1 3.07Å; R205-E411 WeakPolarHBondContact CA-OE2 3.5Å; R205-E411 IonicContact CZ-OE1 3.38Å; R205-E411 IonicContact CZ-OE2 3.67Å; R205-E411 IonicContact NE-OE1 3.63Å; R205-E411 IonicContact NE-OE2 3.77Å; R205-E411 PolarHBondContact NE-OE2 2.85Å; R205-E411 IonicContact NH2-OE1 3.52Å; R205-E411 PolarHBondContact NH2-OE1 2.98Å; R205-E411 IonicContact NH2-OE2 2.8Å; Y207-E411 WeakPolarHBondContact CA-O 3.2Å; A406-E411 VanDerWaalsContact CB-O 3.31Å; A406-E411 WeakPolarHBondContact CB-O 3.3Å; A406-E411 PolarHBondContact O-N 3.49Å; H409-E411 HydrophobicContact CB-CG 4.05Å; E411-Y415 HydrophobicContact CB-CD1 3.73Å; E411-Y415 HydrophobicContact CB-CE1 4.44Å; E411-Y415 HydrophobicContact CG-CD1 3.71Å; E411-Y415 HydrophobicContact CG-CE1 3.91Å; E411-V416 HydrophobicContact CB-CG2 4.28Å; E411-L446 HydrophobicContact CB-CD1 4.24Å; E411-L446 HydrophobicContact CG-CD1 4.04Å
412	S	95	Very high	94.9	Very high	14 Å²	14	38 Å²	38	10%	0.098	18%	0.183	C	C	.	.			trans	-67.4	152.4	176.5	72.5	0	0	0	0	111.7	S203 E204 S206 Y414 Y415 V416	S203-S412 VanDerWaalsContact O-CB 3.24Å; S203-S412 WeakPolarHBondContact O-CB 3.37Å; E204-S412 WeakPolarHBondContact O-CB 3.17Å; E204-S412 PolarHBondContact O-OG 2.67Å; S206-S412 PolarHBondContact O-N 3.21Å; S412-Y414 PolarHBondContact O-N 3.31Å; S412-Y415 PolarHBondContact O-N 3.16Å; S412-Y415 VanDerWaalsContact O-N 3.1Å; S412-Y415 WeakPolarHBondContact OG-CB 2.93Å; S412-Y415 PolarHBondContact OG-N 3.14Å; S412-V416 WeakPolarHBondContact O-CG2 3.48Å; S412-V416 PolarHBondContact O-N 2.93Å
413	A	94.1	Very high	94.8	Very high	39 Å²	39	37.8 Å²	37.8	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-55.8	-36	173.4	0	0	0	0	0	112	R402 V416 L417	R402-A413 WeakPolarHBondContact CD-O 3.44Å; R402-A413 HydrophobicContact CG-CB 4.47Å; A413-V416 PolarHBondContact O-N 3.47Å; A413-L417 CarbonylContact O-C 3.49Å; A413-L417 PolarHBondContact O-N 3.2Å
414	Y	94.5	Very high	94.8	Very high	149 Å²	149	41.8 Å²	41.8	58%	0.584	20%	0.2	S	C	*	.	H	α-helix	trans	-64.9	-44.9	176.9	-177.9	-95.2	0	0	0	112	S412 V416 P418	S412-Y414 PolarHBondContact O-N 3.31Å; Y414-V416 VanDerWaalsContact C-N 3.34Å; Y414-V416 PolarHBondContact O-N 3.27Å; Y414-P418 HydrophobicContact CD2-CB 4.02Å; Y414-P418 HydrophobicContact CD2-CG 4.28Å; Y414-P418 HydrophobicContact CE2-CB 3.86Å; Y414-P418 HydrophobicContact CE2-CG 4.09Å; Y414-P418 VanDerWaalsContact O-CD 3.26Å; Y414-P418 WeakPolarHBondContact O-CD 3.4Å; Y414-P418 WeakPolarHBondContact O-CG 3.39Å
415	Y	95.1	Very high	94.9	Very high	60 Å²	60	37.7 Å²	37.7	24%	0.235	18%	0.181	C	C	.	.	H	α-helix	trans	-64.2	-37.4	178.2	-178.8	-96.9	0	0	0	112.5	R205 E411 S412 L446	R205-Y415 PolarHBondContact NH2-OH 2.66Å; E411-Y415 HydrophobicContact CB-CD1 3.73Å; E411-Y415 HydrophobicContact CB-CE1 4.44Å; E411-Y415 HydrophobicContact CG-CD1 3.71Å; E411-Y415 HydrophobicContact CG-CE1 3.91Å; S412-Y415 PolarHBondContact O-N 3.16Å; S412-Y415 VanDerWaalsContact O-N 3.1Å; S412-Y415 WeakPolarHBondContact OG-CB 2.93Å; S412-Y415 PolarHBondContact OG-N 3.14Å; Y415-L446 HydrophobicContact CD1-CD1 4.16Å; Y415-L446 HydrophobicContact CE1-CD1 4.14Å; Y415-L446 HydrophobicContact CE1-CG 4.37Å
416	V	96.8	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.2	-57.3	176.1	176.6	0	0	0	0	111.1	W401 R402 T405 A406 E411 S412 A413 Y414 P444 L446	W401-V416 HydrophobicContact CH2-CG1 3.88Å; W401-V416 HydrophobicContact CZ3-CG1 3.96Å; R402-V416 HydrophobicContact CB-CG1 4.49Å; R402-V416 HydrophobicContact CG-CB 4.05Å; R402-V416 HydrophobicContact CG-CG1 3.86Å; T405-V416 HydrophobicContact CG2-CG1 3.76Å; T405-V416 HydrophobicContact CG2-CG2 4.3Å; A406-V416 HydrophobicContact CB-CG2 3.8Å; E411-V416 HydrophobicContact CB-CG2 4.28Å; S412-V416 WeakPolarHBondContact O-CG2 3.48Å; S412-V416 PolarHBondContact O-N 2.93Å; A413-V416 PolarHBondContact O-N 3.47Å; Y414-V416 VanDerWaalsContact C-N 3.34Å; Y414-V416 PolarHBondContact O-N 3.27Å; V416-P444 VanDerWaalsContact O-CB 3.26Å; V416-P444 WeakPolarHBondContact O-CB 3.41Å; V416-L446 HydrophobicContact CG2-CD1 3.74Å
417	L	96.5	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.			trans	-159.8	106.2	-177.8	-176.2	66.4	0	0	0	110.4	W401 R402 A413 L421 M422 L425 L447	W401-L417 HydrophobicContact CE3-CD2 4.43Å; W401-L417 HydrophobicContact CZ3-CB 4.04Å; W401-L417 HydrophobicContact CZ3-CD2 3.84Å; R402-L417 WeakPolarHBondContact CD-O 3.25Å; R402-L417 HydrophobicContact CG-CB 4.27Å; R402-L417 PolarHBondContact NH1-O 3.38Å; A413-L417 CarbonylContact O-C 3.49Å; A413-L417 PolarHBondContact O-N 3.2Å; L417-L421 HydrophobicContact CD1-CB 4.23Å; L417-L421 HydrophobicContact CD1-CD2 3.71Å; L417-L421 HydrophobicContact CD1-CG 3.76Å; L417-M422 HydrophobicContact CD2-CB 3.69Å; L417-M422 HydrophobicContact CD2-CG 3.74Å; L417-M422 HydrophobicContact CD2-SD 4.41Å; L417-M422 HydrophobicContact CG-CB 3.95Å; L417-M422 HydrophobicContact CG-CG 4.48Å; L417-L425 HydrophobicContact CD1-CD1 4.15Å; L417-L425 HydrophobicContact CD2-CD1 4.35Å; L417-L447 HydrophobicContact CD1-CD2 4.01Å
418	P	95	Very high	95	Very high	11 Å²	11	45 Å²	45	7%	0.071	22%	0.218	C	C	.	.			trans	-57.7	146.3	179	-26.4	34.5	0	0	0	112.9	Y414 Y420 L421 M422	Y414-P418 HydrophobicContact CD2-CB 4.02Å; Y414-P418 HydrophobicContact CD2-CG 4.28Å; Y414-P418 HydrophobicContact CE2-CB 3.86Å; Y414-P418 HydrophobicContact CE2-CG 4.09Å; Y414-P418 VanDerWaalsContact O-CD 3.26Å; Y414-P418 WeakPolarHBondContact O-CD 3.4Å; Y414-P418 WeakPolarHBondContact O-CG 3.39Å; P418-Y420 VanDerWaalsContact C-N 3.32Å; P418-Y420 HydrophobicContact CB-CD1 3.64Å; P418-Y420 HydrophobicContact CB-CE1 3.48Å; P418-Y420 VanDerWaalsContact CB-CE1 3.48Å; P418-Y420 HydrophobicContact CG-CE1 4.05Å; P418-Y420 PolarHBondContact O-N 2.84Å; P418-L421 PolarHBondContact O-N 3.3Å; P418-M422 PolarHBondContact O-N 3.29Å
419	D	93.3	Very high	95.1	Very high	55 Å²	55	41.2 Å²	41.2	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-52.5	-46.9	-176.7	-74.5	-15.9	0	0	0	112.8	L383 R402 L421 M422 V423	L383-D419 HydrophobicContact CD1-CB 4.33Å; R402-D419 IonicContact CZ-OD1 3.44Å; R402-D419 VanDerWaalsContact CZ-OD1 3.28Å; R402-D419 IonicContact NH1-OD1 3.14Å; R402-D419 PolarHBondContact NH1-OD1 2.89Å; R402-D419 IonicContact NH2-OD1 2.69Å; R402-D419 PolarHBondContact NH2-OD1 3.32Å; D419-L421 VanDerWaalsContact C-N 3.25Å; D419-L421 PolarHBondContact O-N 3.47Å; D419-M422 PolarHBondContact O-N 3.24Å; D419-V423 WeakPolarHBondContact O-CG2 3.46Å; D419-V423 PolarHBondContact O-N 3.42Å
420	Y	92.5	Very high	95.2	Very high	146 Å²	146	38.5 Å²	38.5	57%	0.573	18%	0.182	S	C	*	.	H	α-helix	trans	-60	-37.4	-179.5	81	-90.5	0	0	0	112.2	P418 K424	P418-Y420 VanDerWaalsContact C-N 3.32Å; P418-Y420 HydrophobicContact CB-CD1 3.64Å; P418-Y420 HydrophobicContact CB-CE1 3.48Å; P418-Y420 VanDerWaalsContact CB-CE1 3.48Å; P418-Y420 HydrophobicContact CG-CE1 4.05Å; P418-Y420 PolarHBondContact O-N 2.84Å; Y420-K424 WeakPolarHBondContact O-CB 3.48Å; Y420-K424 PolarHBondContact O-N 3.48Å
421	L	95	Very high	95.1	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-78.2	-38	-177.8	178.1	55.7	0	0	0	111	L417 P418 D419 V423 K424 L425 V439 A440 P444 L447	L417-L421 HydrophobicContact CD1-CB 4.23Å; L417-L421 HydrophobicContact CD1-CD2 3.71Å; L417-L421 HydrophobicContact CD1-CG 3.76Å; P418-L421 PolarHBondContact O-N 3.3Å; D419-L421 VanDerWaalsContact C-N 3.25Å; D419-L421 PolarHBondContact O-N 3.47Å; L421-V423 VanDerWaalsContact C-N 3.32Å; L421-V423 PolarHBondContact O-N 3.41Å; L421-K424 PolarHBondContact O-N 3.23Å; L421-L425 HydrophobicContact CD1-CG 4.31Å; L421-L425 HydrophobicContact CG-CD1 4.45Å; L421-L425 WeakPolarHBondContact O-CG 3.42Å; L421-L425 PolarHBondContact O-N 3.01Å; L421-V439 HydrophobicContact CD1-CG1 4.45Å; L421-A440 HydrophobicContact CD1-CB 3.98Å; L421-A440 HydrophobicContact CD2-CB 3.78Å; L421-A440 HydrophobicContact CG-CB 4.37Å; L421-P444 HydrophobicContact CD2-CG 4.16Å; L421-L447 HydrophobicContact CD2-CD2 4.46Å
422	M	95.4	Very high	95.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-44.6	172.9	-169.9	174.5	54.7	0	0	111.5	L379 L395 L398 F399 L417 P418 D419 L425 A426	L379-M422 HydrophobicContact CD2-CE 3.34Å; L395-M422 HydrophobicContact CD1-CB 4.48Å; L395-M422 HydrophobicContact CD1-CE 3.92Å; L395-M422 HydrophobicContact CD1-CG 3.73Å; L395-M422 HydrophobicContact CD1-SD 4.21Å; L398-M422 HydrophobicContact CB-CG 3.76Å; L398-M422 HydrophobicContact CB-SD 4.13Å; L398-M422 HydrophobicContact CD1-CG 4.14Å; F399-M422 HydrophobicContact CB-CE 4.48Å; F399-M422 HydrophobicContact CB-SD 4.12Å; F399-M422 HydrophobicContact CD2-CE 4.06Å; L417-M422 HydrophobicContact CD2-CB 3.69Å; L417-M422 HydrophobicContact CD2-CG 3.74Å; L417-M422 HydrophobicContact CD2-SD 4.41Å; L417-M422 HydrophobicContact CG-CB 3.95Å; L417-M422 HydrophobicContact CG-CG 4.48Å; P418-M422 PolarHBondContact O-N 3.29Å; D419-M422 PolarHBondContact O-N 3.24Å; M422-L425 PolarHBondContact O-N 2.8Å; M422-A426 WeakPolarHBondContact O-CB 3.37Å; M422-A426 PolarHBondContact O-N 2.72Å; M422-A426 VanDerWaalsContact O-N 3.07Å
423	V	94	Very high	95.2	Very high	10 Å²	10	52 Å²	52	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-48.9	173.6	170.4	0	0	0	0	110.8	L383 V385 L395 D419 L421 L425 A426 E427	L383-V423 HydrophobicContact CD1-CG2 3.67Å; V385-V423 HydrophobicContact CB-CG1 4.49Å; V385-V423 HydrophobicContact CG1-CG1 3.88Å; V385-V423 HydrophobicContact CG2-CG1 3.91Å; V385-V423 HydrophobicContact CG2-CG2 4.4Å; L395-V423 HydrophobicContact CD1-CG2 4.26Å; L395-V423 HydrophobicContact CD2-CG2 4.3Å; D419-V423 WeakPolarHBondContact O-CG2 3.46Å; D419-V423 PolarHBondContact O-N 3.42Å; L421-V423 VanDerWaalsContact C-N 3.32Å; L421-V423 PolarHBondContact O-N 3.41Å; V423-L425 VanDerWaalsContact C-N 3.31Å; V423-L425 PolarHBondContact O-N 3.02Å; V423-A426 WeakPolarHBondContact O-CB 3.37Å; V423-A426 PolarHBondContact O-N 3.04Å; V423-A426 VanDerWaalsContact O-N 3.08Å; V423-E427 HydrophobicContact CG1-CG 4.22Å; V423-E427 WeakPolarHBondContact O-CG 3.47Å; V423-E427 PolarHBondContact O-N 2.93Å
424	K	95	Very high	95.4	Very high	91 Å²	91	53.1 Å²	53.1	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-39.9	180	-170.7	-179.2	-176.5	-172.3	0	112.9	Y420 L421 E427 L428 V439	Y420-K424 WeakPolarHBondContact O-CB 3.48Å; Y420-K424 PolarHBondContact O-N 3.48Å; L421-K424 PolarHBondContact O-N 3.23Å; K424-E427 PolarHBondContact O-N 3.1Å; K424-L428 HydrophobicContact CG-CD1 4.05Å; K424-L428 WeakPolarHBondContact O-CB 3.1Å; K424-L428 WeakPolarHBondContact O-CG 3.31Å; K424-L428 PolarHBondContact O-N 3.32Å; K424-V439 HydrophobicContact CD-CG1 3.96Å; K424-V439 HydrophobicContact CG-CG1 3.91Å
425	L	97.2	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-42.8	175	-73.4	171.9	0	0	0	111.7	L398 L417 L421 M422 V423 E427 L429 P430 V436 V439 L447	L398-L425 HydrophobicContact CD1-CB 4.01Å; L417-L425 HydrophobicContact CD1-CD1 4.15Å; L417-L425 HydrophobicContact CD2-CD1 4.35Å; L421-L425 HydrophobicContact CD1-CG 4.31Å; L421-L425 HydrophobicContact CG-CD1 4.45Å; L421-L425 WeakPolarHBondContact O-CG 3.42Å; L421-L425 PolarHBondContact O-N 3.01Å; M422-L425 PolarHBondContact O-N 2.8Å; V423-L425 VanDerWaalsContact C-N 3.31Å; V423-L425 PolarHBondContact O-N 3.02Å; L425-E427 VanDerWaalsContact C-N 3.34Å; L425-L429 PolarHBondContact O-N 3.14Å; L425-P430 HydrophobicContact CD2-CG 3.87Å; L425-P430 WeakPolarHBondContact O-CD 3.4Å; L425-V436 HydrophobicContact CD1-CG1 4.45Å; L425-V436 HydrophobicContact CD2-CG1 3.93Å; L425-V439 HydrophobicContact CD2-CB 3.97Å; L425-V439 HydrophobicContact CD2-CG1 3.7Å; L425-V439 HydrophobicContact CG-CG1 4.33Å; L425-L447 HydrophobicContact CD1-CD2 4.38Å
426	A	95.7	Very high	95.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-36.2	177.2	0	0	0	0	0	112.6	Q391 A394 L395 L398 M422 V423 L429	Q391-A426 WeakPolarHBondContact CB-O 3.42Å; Q391-A426 VanDerWaalsContact CG-O 3.31Å; Q391-A426 WeakPolarHBondContact CG-O 3.06Å; A394-A426 HydrophobicContact CB-CB 4.17Å; L395-A426 HydrophobicContact CB-CB 3.74Å; L395-A426 HydrophobicContact CD1-CB 4.28Å; L398-A426 HydrophobicContact CD1-CB 4.26Å; M422-A426 WeakPolarHBondContact O-CB 3.37Å; M422-A426 PolarHBondContact O-N 2.72Å; M422-A426 VanDerWaalsContact O-N 3.07Å; V423-A426 WeakPolarHBondContact O-CB 3.37Å; V423-A426 PolarHBondContact O-N 3.04Å; V423-A426 VanDerWaalsContact O-N 3.08Å; A426-L429 WeakPolarHBondContact O-CD2 3.35Å; A426-L429 WeakPolarHBondContact O-CG 3.45Å
427	E	94.7	Very high	95.5	Very high	77 Å²	77	48.2 Å²	48.2	36%	0.36	24%	0.24	S	C	.	.	H	α-helix	trans	-67.4	-52.2	176.1	-76.5	176.3	165.6	0	0	112.1	V385 L387 Q391 V423 K424 L425	V385-E427 VanDerWaalsContact CG1-OE1 3.3Å; V385-E427 WeakPolarHBondContact CG1-OE1 2.8Å; L387-E427 HydrophobicContact CD2-CG 3.4Å; L387-E427 VanDerWaalsContact CD2-CG 3.4Å; Q391-E427 PolarHBondContact NE2-O 2.82Å; V423-E427 HydrophobicContact CG1-CG 4.22Å; V423-E427 WeakPolarHBondContact O-CG 3.47Å; V423-E427 PolarHBondContact O-N 2.93Å; K424-E427 PolarHBondContact O-N 3.1Å; L425-E427 VanDerWaalsContact C-N 3.34Å
428	L	96.3	Very high	95.5	Very high	102 Å²	102	54.3 Å²	54.3	53%	0.534	27%	0.271	S	S	.	.	H	α-helix	trans	-76	-28	-173.3	-67.9	177.6	0	0	0	112.8	K424 V439	K424-L428 HydrophobicContact CG-CD1 4.05Å; K424-L428 WeakPolarHBondContact O-CB 3.1Å; K424-L428 WeakPolarHBondContact O-CG 3.31Å; K424-L428 PolarHBondContact O-N 3.32Å; L428-V439 HydrophobicContact CD1-CB 4.42Å; L428-V439 HydrophobicContact CD1-CG1 3.78Å; L428-V439 HydrophobicContact CD1-CG2 3.68Å
429	L	96.8	Very high	95.6	Very high	22 Å²	22	55 Å²	55	12%	0.115	28%	0.275	C	S	.	.			trans	43.7	72.5	-171.2	-60.8	172.5	0	0	0	110	R390 Q391 A394 L425 A426 L458 R462	R390-L429 HydrophobicContact CB-CD1 4.37Å; Q391-L429 HydrophobicContact CG-CD1 4.13Å; Q391-L429 HydrophobicContact CG-CG 4.42Å; A394-L429 HydrophobicContact CB-CD2 3.57Å; L425-L429 PolarHBondContact O-N 3.14Å; A426-L429 WeakPolarHBondContact O-CD2 3.35Å; A426-L429 WeakPolarHBondContact O-CG 3.45Å; L429-L458 HydrophobicContact CD2-CD2 4Å; L429-R462 HydrophobicContact CD1-CB 4.33Å; L429-R462 HydrophobicContact CD1-CG 4.35Å; L429-R462 PolarHBondContact O-NE 2.94Å; L429-R462 PolarHBondContact O-NH2 3.32Å
430	P	96.9	Very high	95.6	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.071	26%	0.262	C	S	.	.			trans	-67	142.2	172.1	21.6	-27.3	0	0	0	111.6	L425 V436 V439 L458 R462	L425-P430 HydrophobicContact CD2-CG 3.87Å; L425-P430 WeakPolarHBondContact O-CD 3.4Å; P430-V436 HydrophobicContact CB-CG2 4.24Å; P430-V436 HydrophobicContact CG-CB 4.45Å; P430-V436 HydrophobicContact CG-CG2 3.85Å; P430-V439 HydrophobicContact CG-CG2 4.42Å; P430-L458 HydrophobicContact CG-CD1 3.83Å; P430-R462 PolarHBondContact O-NH2 2.65Å
431	R	92.7	Very high	95.7	Very high	164 Å²	164	54.2 Å²	54.2	62%	0.619	27%	0.272	S	S	*	.			trans	-81.6	-57.3	-176	-77.8	178.4	-177.8	-179.9	1.8	111.8	S455 N459 R462	R431-S455 PolarHBondContact O-OG 3.22Å; R431-N459 WeakPolarHBondContact CA-OD1 3.47Å; R431-N459 PolarHBondContact O-ND2 3.02Å; R431-N459 PolarHBondContact O-OD1 3.27Å; R431-R462 VanDerWaalsContact CA-NH2 3.31Å; R431-R462 VanDerWaalsContact CG-NH2 3.29Å
432	E	95.5	Very high	95.6	Very high	114 Å²	114	59.5 Å²	59.5	53%	0.533	31%	0.307	S	S	.	.	S	Bend	trans	-91.3	149.7	-171.7	-57.1	-51.6	139	0	0	111.1	A434 S435 V436	E432-A434 PolarHBondContact O-N 3.32Å; E432-S435 WeakPolarHBondContact O-CA 3.2Å; E432-S435 WeakPolarHBondContact O-CB 3.29Å; E432-S435 PolarHBondContact O-N 3.09Å; E432-V436 PolarHBondContact O-N 3.36Å; E432-V436 VanDerWaalsContact O-N 3.12Å
433	P	97	Very high	95.5	Very high	37 Å²	37	60 Å²	60	24%	0.24	31%	0.311	C	S	.	.	H	α-helix	trans	-50.9	-38.8	172.5	-27.8	35	0	0	0	112.9	S435 V436 L437 V451 S455	P433-S435 VanDerWaalsContact C-N 3.33Å; P433-S435 PolarHBondContact O-N 2.88Å; P433-V436 WeakPolarHBondContact O-CB 3.5Å; P433-V436 PolarHBondContact O-N 2.77Å; P433-L437 PolarHBondContact O-N 3.46Å; P433-L437 VanDerWaalsContact O-N 3.17Å; P433-V451 HydrophobicContact CB-CG1 4.14Å; P433-V451 HydrophobicContact CB-CG2 3.88Å; P433-V451 WeakPolarHBondContact O-CG2 3.29Å; P433-S455 WeakPolarHBondContact CD-OG 3.43Å
434	A	96.6	Very high	95.6	Very high	63 Å²	63	60.3 Å²	60.3	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-40.6	175.3	0	0	0	0	0	112.5	E432 L437 I438	E432-A434 PolarHBondContact O-N 3.32Å; A434-L437 PolarHBondContact O-N 2.73Å; A434-I438 VanDerWaalsContact O-CG1 3.31Å; A434-I438 WeakPolarHBondContact O-CG1 3.39Å; A434-I438 PolarHBondContact O-N 3.37Å
435	S	96.2	Very high	95.6	Very high	45 Å²	45	59.3 Å²	59.3	32%	0.315	32%	0.316	S	S	.	.	H	α-helix	trans	-66.9	-36.5	177.1	-54.6	0	0	0	0	112	E432 P433 L437 I438 V439	E432-S435 WeakPolarHBondContact O-CA 3.2Å; E432-S435 WeakPolarHBondContact O-CB 3.29Å; E432-S435 PolarHBondContact O-N 3.09Å; P433-S435 VanDerWaalsContact C-N 3.33Å; P433-S435 PolarHBondContact O-N 2.88Å; S435-L437 VanDerWaalsContact C-N 3.34Å; S435-L437 PolarHBondContact O-N 3.06Å; S435-I438 PolarHBondContact O-N 2.87Å; S435-V439 WeakPolarHBondContact O-CG2 3.4Å; S435-V439 PolarHBondContact O-N 3.22Å
436	V	97.4	Very high	95.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.5	-48.5	173	177.1	0	0	0	0	110.1	L425 P430 E432 P433 I438 V439 A440 L447 V451 V454 L458	L425-V436 HydrophobicContact CD1-CG1 4.45Å; L425-V436 HydrophobicContact CD2-CG1 3.93Å; P430-V436 HydrophobicContact CB-CG2 4.24Å; P430-V436 HydrophobicContact CG-CB 4.45Å; P430-V436 HydrophobicContact CG-CG2 3.85Å; E432-V436 PolarHBondContact O-N 3.36Å; E432-V436 VanDerWaalsContact O-N 3.12Å; P433-V436 WeakPolarHBondContact O-CB 3.5Å; P433-V436 PolarHBondContact O-N 2.77Å; V436-I438 PolarHBondContact O-N 3.04Å; V436-V439 PolarHBondContact O-N 2.65Å; V436-A440 VanDerWaalsContact O-CB 3.24Å; V436-A440 WeakPolarHBondContact O-CB 3.47Å; V436-A440 PolarHBondContact O-N 3.1Å; V436-L447 HydrophobicContact CG1-CD1 4.18Å; V436-L447 HydrophobicContact CG1-CD2 4.46Å; V436-V451 HydrophobicContact CB-CG2 3.97Å; V436-V451 HydrophobicContact CG1-CG2 4.04Å; V436-V454 HydrophobicContact CG1-CG1 4.04Å; V436-L458 HydrophobicContact CG2-CD1 3.84Å
437	L	96.8	Very high	95.6	Very high	61 Å²	61	60.2 Å²	60.2	32%	0.319	32%	0.321	S	S	.	.	H	α-helix	trans	-66.3	-35.7	-179.1	-63	178.5	0	0	0	113.3	P433 A434 S435 A440 K441 A443 K448 V451	P433-L437 PolarHBondContact O-N 3.46Å; P433-L437 VanDerWaalsContact O-N 3.17Å; A434-L437 PolarHBondContact O-N 2.73Å; S435-L437 VanDerWaalsContact C-N 3.34Å; S435-L437 PolarHBondContact O-N 3.06Å; L437-A440 PolarHBondContact O-N 3.01Å; L437-K441 PolarHBondContact O-N 3.41Å; L437-A443 HydrophobicContact CD2-CB 3.94Å; L437-K448 HydrophobicContact CD2-CG 3.9Å; L437-V451 HydrophobicContact CD1-CG2 4.39Å; L437-V451 HydrophobicContact CD2-CB 4.29Å; L437-V451 HydrophobicContact CD2-CG2 3.83Å; L437-V451 HydrophobicContact CG-CG2 3.82Å
438	I	96.5	Very high	95.6	Very high	129 Å²	129	62 Å²	62	66%	0.662	33%	0.328	S	S	*	.	H	α-helix	trans	-63.9	-47.3	175.2	-69.9	164.9	0	0	0	110.2	A434 S435 V436 A440 K441	A434-I438 VanDerWaalsContact O-CG1 3.31Å; A434-I438 WeakPolarHBondContact O-CG1 3.39Å; A434-I438 PolarHBondContact O-N 3.37Å; S435-I438 PolarHBondContact O-N 2.87Å; V436-I438 PolarHBondContact O-N 3.04Å; I438-A440 PolarHBondContact O-N 3.38Å; I438-K441 PolarHBondContact O-N 3.25Å
439	V	95.8	Very high	95.6	Very high	25 Å²	25	63.4 Å²	63.4	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-37.9	177.5	171.4	0	0	0	0	111.2	L421 K424 L425 L428 P430 S435 V436 K441	L421-V439 HydrophobicContact CD1-CG1 4.45Å; K424-V439 HydrophobicContact CD-CG1 3.96Å; K424-V439 HydrophobicContact CG-CG1 3.91Å; L425-V439 HydrophobicContact CD2-CB 3.97Å; L425-V439 HydrophobicContact CD2-CG1 3.7Å; L425-V439 HydrophobicContact CG-CG1 4.33Å; L428-V439 HydrophobicContact CD1-CB 4.42Å; L428-V439 HydrophobicContact CD1-CG1 3.78Å; L428-V439 HydrophobicContact CD1-CG2 3.68Å; P430-V439 HydrophobicContact CG-CG2 4.42Å; S435-V439 WeakPolarHBondContact O-CG2 3.4Å; S435-V439 PolarHBondContact O-N 3.22Å; V436-V439 PolarHBondContact O-N 2.65Å; V439-K441 VanDerWaalsContact C-N 3.34Å; V439-K441 PolarHBondContact O-N 2.85Å
440	A	94.4	Very high	95.5	Very high	2 Å²	2	65.1 Å²	65.1	2%	0.017	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	5.3	-175.3	0	0	0	0	0	115.6	L421 V436 L437 I438 P442 A443 L447	L421-A440 HydrophobicContact CD1-CB 3.98Å; L421-A440 HydrophobicContact CD2-CB 3.78Å; L421-A440 HydrophobicContact CG-CB 4.37Å; V436-A440 VanDerWaalsContact O-CB 3.24Å; V436-A440 WeakPolarHBondContact O-CB 3.47Å; V436-A440 PolarHBondContact O-N 3.1Å; L437-A440 PolarHBondContact O-N 3.01Å; I438-A440 PolarHBondContact O-N 3.38Å; A440-P442 CarbonylContact O-C 3.55Å; A440-A443 HydrophobicContact CB-CB 3.8Å; A440-A443 WeakPolarHBondContact O-CA 3.37Å; A440-A443 PolarHBondContact O-N 3.07Å; A440-L447 HydrophobicContact CB-CD2 3.45Å; A440-L447 VanDerWaalsContact CB-CD2 3.45Å
441	K	93.5	Very high	95.5	Very high	182 Å²	182	65.5 Å²	65.5	79%	0.791	35%	0.346	S	S	*	.	S	Bend	trans	-64.4	125.6	-173.3	-164.9	173.4	-177	179	0	112.8	L437 I438 V439	L437-K441 PolarHBondContact O-N 3.41Å; I438-K441 PolarHBondContact O-N 3.25Å; V439-K441 VanDerWaalsContact C-N 3.34Å; V439-K441 PolarHBondContact O-N 2.85Å
442	P	93.6	Very high	95.7	Very high	114 Å²	114	61.1 Å²	61.1	74%	0.74	34%	0.338	S	S	*	.	S	Bend	cis	-75.6	123.8	-7.1	31.4	-33.2	0	0	0	112.3	A440	A440-P442 CarbonylContact O-C 3.55Å
443	A	93.3	Very high	95.7	Very high	11 Å²	11	57 Å²	57	9%	0.091	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-72.7	132.3	-172.1	0	0	0	0	0	111.8	L437 A440 L447 K448	L437-A443 HydrophobicContact CD2-CB 3.94Å; A440-A443 HydrophobicContact CB-CB 3.8Å; A440-A443 WeakPolarHBondContact O-CA 3.37Å; A440-A443 PolarHBondContact O-N 3.07Å; A443-L447 HydrophobicContact CB-CD2 4.44Å; A443-K448 HydrophobicContact CB-CD 4.35Å; A443-K448 HydrophobicContact CB-CG 3.81Å; A443-K448 WeakPolarHBondContact O-CE 3.45Å; A443-K448 PolarHBondContact O-NZ 3.37Å
444	P	95.6	Very high	95.7	Very high	16 Å²	16	55.2 Å²	55.2	10%	0.104	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-53.7	145.5	174	-27.4	34.4	0	0	0	112.2	V416 L421 L446 L447 K448	V416-P444 VanDerWaalsContact O-CB 3.26Å; V416-P444 WeakPolarHBondContact O-CB 3.41Å; L421-P444 HydrophobicContact CD2-CG 4.16Å; P444-L446 VanDerWaalsContact C-N 3.35Å; P444-L446 PolarHBondContact O-N 3.18Å; P444-L447 HydrophobicContact CB-CB 4.1Å; P444-L447 HydrophobicContact CG-CB 4.41Å; P444-L447 PolarHBondContact O-N 3.39Å; P444-K448 PolarHBondContact O-N 2.85Å
445	P	95.2	Very high	95.7	Very high	71 Å²	71	52.4 Å²	52.4	46%	0.461	29%	0.288	S	S	.	.	H	α-helix	trans	-57.3	-43.5	-177	-26.3	35.4	0	0	0	113.7	K448 L449	P445-K448 WeakPolarHBondContact O-CB 3.25Å; P445-K448 PolarHBondContact O-N 3.47Å; P445-L449 PolarHBondContact O-N 3.16Å
446	L	95.7	Very high	95.8	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.099	30%	0.304	C	S	.	.	H	α-helix	trans	-73	-33	-178.9	-66.2	176.6	0	0	0	112.5	T405 H409 E411 Y415 V416 P444 K448 L449 D450	T405-L446 HydrophobicContact CG2-CB 4.17Å; T405-L446 HydrophobicContact CG2-CD1 4.23Å; H409-L446 HydrophobicContact CB-CD1 4Å; H409-L446 HydrophobicContact CB-CD2 4.46Å; E411-L446 HydrophobicContact CB-CD1 4.24Å; E411-L446 HydrophobicContact CG-CD1 4.04Å; Y415-L446 HydrophobicContact CD1-CD1 4.16Å; Y415-L446 HydrophobicContact CE1-CD1 4.14Å; Y415-L446 HydrophobicContact CE1-CG 4.37Å; V416-L446 HydrophobicContact CG2-CD1 3.74Å; P444-L446 VanDerWaalsContact C-N 3.35Å; P444-L446 PolarHBondContact O-N 3.18Å; L446-K448 VanDerWaalsContact C-N 3.32Å; L446-K448 PolarHBondContact O-N 3.49Å; L446-L449 HydrophobicContact CD2-CD2 4.37Å; L446-L449 PolarHBondContact O-N 3.41Å; L446-D450 PolarHBondContact O-N 3.01Å
447	L	96.6	Very high	95.8	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-40	168.8	177.6	65.8	0	0	0	111.6	W401 L417 L421 L425 V436 A440 A443 P444 D450 V451 V454	W401-L447 HydrophobicContact CH2-CB 4.49Å; W401-L447 HydrophobicContact CH2-CD1 4.14Å; L417-L447 HydrophobicContact CD1-CD2 4.01Å; L421-L447 HydrophobicContact CD2-CD2 4.46Å; L425-L447 HydrophobicContact CD1-CD2 4.38Å; V436-L447 HydrophobicContact CG1-CD1 4.18Å; V436-L447 HydrophobicContact CG1-CD2 4.46Å; A440-L447 HydrophobicContact CB-CD2 3.45Å; A440-L447 VanDerWaalsContact CB-CD2 3.45Å; A443-L447 HydrophobicContact CB-CD2 4.44Å; P444-L447 HydrophobicContact CB-CB 4.1Å; P444-L447 HydrophobicContact CG-CB 4.41Å; P444-L447 PolarHBondContact O-N 3.39Å; L447-D450 CarbonylContact O-C 3.55Å; L447-V451 VanDerWaalsContact O-CA 3.26Å; L447-V451 WeakPolarHBondContact O-CA 3.19Å; L447-V451 WeakPolarHBondContact O-CB 3.49Å; L447-V451 PolarHBondContact O-N 3.03Å; L447-V454 HydrophobicContact CD1-CB 4.04Å; L447-V454 HydrophobicContact CD1-CG1 3.88Å; L447-V454 HydrophobicContact CD1-CG2 3.74Å
448	K	96.1	Very high	95.8	Very high	115 Å²	115	57 Å²	57	50%	0.5	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-42.2	176.7	-72.3	171.8	177.9	164.2	0	111.6	L437 A443 P444 P445 L446 D450	L437-K448 HydrophobicContact CD2-CG 3.9Å; A443-K448 HydrophobicContact CB-CD 4.35Å; A443-K448 HydrophobicContact CB-CG 3.81Å; A443-K448 WeakPolarHBondContact O-CE 3.45Å; A443-K448 PolarHBondContact O-NZ 3.37Å; P444-K448 PolarHBondContact O-N 2.85Å; P445-K448 WeakPolarHBondContact O-CB 3.25Å; P445-K448 PolarHBondContact O-N 3.47Å; L446-K448 VanDerWaalsContact C-N 3.32Å; L446-K448 PolarHBondContact O-N 3.49Å; K448-D450 VanDerWaalsContact C-N 3.33Å
449	L	95.1	Very high	95.9	Very high	131 Å²	131	52.9 Å²	52.9	69%	0.686	28%	0.276	S	S	*	.	H	α-helix	trans	-62	-41.9	179.4	-172.3	67.1	0	0	0	111.4	P445 L446	P445-L449 PolarHBondContact O-N 3.16Å; L446-L449 HydrophobicContact CD2-CD2 4.37Å; L446-L449 PolarHBondContact O-N 3.41Å
450	D	94.8	Very high	95.9	Very high	58 Å²	58	55.5 Å²	55.5	31%	0.31	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	28.8	-174.5	-157.8	18.6	0	0	0	114	W401 L446 L447 K448 V452 A453 V454	W401-D450 HydrophobicContact CZ2-CB 4.08Å; W401-D450 PolarHBondContact NE1-OD2 3.41Å; L446-D450 PolarHBondContact O-N 3.01Å; L447-D450 CarbonylContact O-C 3.55Å; K448-D450 VanDerWaalsContact C-N 3.33Å; D450-V452 PolarHBondContact O-N 2.84Å; D450-V452 VanDerWaalsContact O-N 3.14Å; D450-A453 PolarHBondContact O-N 3.07Å; D450-A453 VanDerWaalsContact O-N 3.15Å; D450-A453 WeakPolarHBondContact OD1-CB 3.38Å; D450-V454 PolarHBondContact O-N 2.88Å; D450-V454 VanDerWaalsContact O-N 3.13Å
451	V	97	Very high	96	Very high	18 Å²	18	55.4 Å²	55.4	11%	0.109	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-30.9	-175.9	66.9	0	0	0	0	112.5	P433 V436 L437 L447 S455	P433-V451 HydrophobicContact CB-CG1 4.14Å; P433-V451 HydrophobicContact CB-CG2 3.88Å; P433-V451 WeakPolarHBondContact O-CG2 3.29Å; V436-V451 HydrophobicContact CB-CG2 3.97Å; V436-V451 HydrophobicContact CG1-CG2 4.04Å; L437-V451 HydrophobicContact CD1-CG2 4.39Å; L437-V451 HydrophobicContact CD2-CB 4.29Å; L437-V451 HydrophobicContact CD2-CG2 3.83Å; L437-V451 HydrophobicContact CG-CG2 3.82Å; L447-V451 VanDerWaalsContact O-CA 3.26Å; L447-V451 WeakPolarHBondContact O-CA 3.19Å; L447-V451 WeakPolarHBondContact O-CB 3.49Å; L447-V451 PolarHBondContact O-N 3.03Å; V451-S455 WeakPolarHBondContact O-CB 3.37Å; V451-S455 PolarHBondContact O-N 3.17Å
452	V	97	Very high	96	Very high	73 Å²	73	48.5 Å²	48.5	44%	0.442	26%	0.26	S	S	.	.	H	α-helix	trans	-69.1	-43.9	179.6	178	0	0	0	0	110.8	D450 S455 R456	D450-V452 PolarHBondContact O-N 2.84Å; D450-V452 VanDerWaalsContact O-N 3.14Å; V452-S455 PolarHBondContact O-N 2.88Å; V452-R456 WeakPolarHBondContact O-CG 3.38Å; V452-R456 PolarHBondContact O-N 3.37Å
453	A	95.6	Very high	96.1	Very high	26 Å²	26	49 Å²	49	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-42.3	176.1	0	0	0	0	0	111.2	D450 S455 R456 I457	D450-A453 PolarHBondContact O-N 3.07Å; D450-A453 VanDerWaalsContact O-N 3.15Å; D450-A453 WeakPolarHBondContact OD1-CB 3.38Å; A453-S455 PolarHBondContact O-N 3.4Å; A453-R456 WeakPolarHBondContact O-CB 3.42Å; A453-R456 PolarHBondContact O-N 3.16Å; A453-R456 VanDerWaalsContact O-N 3.15Å; A453-I457 WeakPolarHBondContact O-CG1 3.37Å; A453-I457 PolarHBondContact O-N 2.67Å
454	V	97.4	Very high	96.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-43.9	176.6	172.5	0	0	0	0	111.8	L398 W401 V436 L447 D450 R456 I457 L458	L398-V454 HydrophobicContact CD2-CG1 3.76Å; W401-V454 HydrophobicContact CD2-CG2 3.77Å; W401-V454 VanDerWaalsContact CE2-CG2 3.49Å; W401-V454 HydrophobicContact CE3-CG2 4.02Å; W401-V454 HydrophobicContact CG-CG2 4.5Å; W401-V454 HydrophobicContact CH2-CG2 3.81Å; W401-V454 HydrophobicContact CZ2-CG2 3.52Å; W401-V454 HydrophobicContact CZ3-CG2 4.05Å; V436-V454 HydrophobicContact CG1-CG1 4.04Å; L447-V454 HydrophobicContact CD1-CB 4.04Å; L447-V454 HydrophobicContact CD1-CG1 3.88Å; L447-V454 HydrophobicContact CD1-CG2 3.74Å; D450-V454 PolarHBondContact O-N 2.88Å; D450-V454 VanDerWaalsContact O-N 3.13Å; V454-R456 VanDerWaalsContact C-N 3.33Å; V454-R456 PolarHBondContact O-N 3.34Å; V454-I457 PolarHBondContact O-N 2.95Å; V454-L458 HydrophobicContact CG1-CD1 4.04Å; V454-L458 VanDerWaalsContact O-CG 3.3Å; V454-L458 WeakPolarHBondContact O-CG 3.48Å; V454-L458 PolarHBondContact O-N 3.08Å
455	S	97.4	Very high	95.7	Very high	5 Å²	5	54 Å²	54	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-41	174	168.4	0	0	0	0	111.9	R431 P433 V451 V452 A453 L458 N459	R431-S455 PolarHBondContact O-OG 3.22Å; P433-S455 WeakPolarHBondContact CD-OG 3.43Å; V451-S455 WeakPolarHBondContact O-CB 3.37Å; V451-S455 PolarHBondContact O-N 3.17Å; V452-S455 PolarHBondContact O-N 2.88Å; A453-S455 PolarHBondContact O-N 3.4Å; S455-L458 PolarHBondContact O-N 2.84Å; S455-N459 WeakPolarHBondContact O-CB 3.42Å; S455-N459 VanDerWaalsContact O-CG 3.27Å; S455-N459 PolarHBondContact O-N 2.91Å; S455-N459 PolarHBondContact O-ND2 3.49Å; S455-N459 PolarHBondContact OG-ND2 3.48Å
456	R	97.4	Very high	94.8	Very high	170 Å²	170	56.6 Å²	56.6	64%	0.642	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-46.8	174.5	-72.1	174.6	-173	168.5	2.7	111.9	V452 A453 V454 L458 N459 T460	V452-R456 WeakPolarHBondContact O-CG 3.38Å; V452-R456 PolarHBondContact O-N 3.37Å; A453-R456 WeakPolarHBondContact O-CB 3.42Å; A453-R456 PolarHBondContact O-N 3.16Å; A453-R456 VanDerWaalsContact O-N 3.15Å; V454-R456 VanDerWaalsContact C-N 3.33Å; V454-R456 PolarHBondContact O-N 3.34Å; R456-L458 VanDerWaalsContact C-N 3.29Å; R456-L458 PolarHBondContact O-N 3.21Å; R456-N459 PolarHBondContact O-N 2.95Å; R456-T460 PolarHBondContact O-N 3.03Å; R456-T460 PolarHBondContact O-OG1 3.39Å
457	I	97.2	Very high	93.5	Very high	33 Å²	33	59.4 Å²	59.4	17%	0.169	31%	0.313	C	S	.	.	H	α-helix	trans	-53.8	-48.6	176.3	-71.4	167	0	0	0	110.7	W397 L398 W401 A453 V454 T460 A461	W397-I457 HydrophobicContact CB-CG2 3.46Å; W397-I457 VanDerWaalsContact CB-CG2 3.46Å; W397-I457 HydrophobicContact CE3-CG2 4.27Å; W397-I457 HydrophobicContact CG-CG2 4.47Å; L398-I457 HydrophobicContact CD2-CG2 4.15Å; L398-I457 HydrophobicContact CG-CG2 4.34Å; W401-I457 HydrophobicContact CB-CD1 3.64Å; W401-I457 HydrophobicContact CG-CD1 3.87Å; A453-I457 WeakPolarHBondContact O-CG1 3.37Å; A453-I457 PolarHBondContact O-N 2.67Å; V454-I457 PolarHBondContact O-N 2.95Å; I457-T460 PolarHBondContact O-N 3.11Å; I457-A461 PolarHBondContact O-N 2.8Å
458	L	97.9	Very high	91.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-40.5	-179.9	-68.1	167.4	0	0	0	112.5	A394 L398 L429 P430 V436 V454 S455 R456 A461 R462	A394-L458 HydrophobicContact CB-CD2 4.25Å; L398-L458 HydrophobicContact CD1-CD2 4.07Å; L429-L458 HydrophobicContact CD2-CD2 4Å; P430-L458 HydrophobicContact CG-CD1 3.83Å; V436-L458 HydrophobicContact CG2-CD1 3.84Å; V454-L458 HydrophobicContact CG1-CD1 4.04Å; V454-L458 VanDerWaalsContact O-CG 3.3Å; V454-L458 WeakPolarHBondContact O-CG 3.48Å; V454-L458 PolarHBondContact O-N 3.08Å; S455-L458 PolarHBondContact O-N 2.84Å; R456-L458 VanDerWaalsContact C-N 3.29Å; R456-L458 PolarHBondContact O-N 3.21Å; L458-A461 PolarHBondContact O-N 3.37Å; L458-R462 WeakPolarHBondContact O-CB 3.41Å; L458-R462 PolarHBondContact O-N 3.08Å
459	N	96.8	Very high	89.2	Confident	42 Å²	42	68.3 Å²	68.3	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-65.6	-44.1	177	-75.9	-30.1	0	0	0	111.7	R431 S455 R456 A461 R462 N463	R431-N459 WeakPolarHBondContact CA-OD1 3.47Å; R431-N459 PolarHBondContact O-ND2 3.02Å; R431-N459 PolarHBondContact O-OD1 3.27Å; S455-N459 WeakPolarHBondContact O-CB 3.42Å; S455-N459 VanDerWaalsContact O-CG 3.27Å; S455-N459 PolarHBondContact O-N 2.91Å; S455-N459 PolarHBondContact O-ND2 3.49Å; S455-N459 PolarHBondContact OG-ND2 3.48Å; R456-N459 PolarHBondContact O-N 2.95Å; N459-A461 VanDerWaalsContact C-N 3.3Å; N459-A461 PolarHBondContact O-N 3.46Å; N459-R462 PolarHBondContact O-N 2.99Å; N459-R462 PolarHBondContact OD1-NH1 2.97Å; N459-N463 VanDerWaalsContact O-CG 3.27Å; N459-N463 PolarHBondContact O-N 3.32Å; N459-N463 VanDerWaalsContact O-N 3.1Å; N459-N463 PolarHBondContact O-ND2 3.49Å
460	T	96.9	Very high	86.6	Confident	79 Å²	79	71.2 Å²	71.2	49%	0.485	36%	0.364	S	S	.	.	H	α-helix	trans	-58.6	-44.8	174.4	-55.7	0	0	0	0	110.6	W397 R456 I457 R462 N463 L464	W397-T460 HydrophobicContact CH2-CG2 3.72Å; W397-T460 HydrophobicContact CZ3-CG2 3.57Å; R456-T460 PolarHBondContact O-N 3.03Å; R456-T460 PolarHBondContact O-OG1 3.39Å; I457-T460 PolarHBondContact O-N 3.11Å; T460-R462 PolarHBondContact O-N 3.04Å; T460-N463 PolarHBondContact O-N 3.02Å; T460-L464 PolarHBondContact O-N 3.32Å
461	A	95.8	Very high	84.1	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-67.4	-37.7	-179.4	0	0	0	0	0	112	R390 A394 W397 I457 L458 N459 N463 L464	R390-A461 WeakPolarHBondContact CB-O 3.49Å; R390-A461 WeakPolarHBondContact CG-O 3.47Å; A394-A461 HydrophobicContact CB-CB 3.57Å; W397-A461 HydrophobicContact CE3-CB 3.97Å; W397-A461 HydrophobicContact CZ3-CB 3.81Å; I457-A461 PolarHBondContact O-N 2.8Å; L458-A461 PolarHBondContact O-N 3.37Å; N459-A461 VanDerWaalsContact C-N 3.3Å; N459-A461 PolarHBondContact O-N 3.46Å; A461-N463 VanDerWaalsContact C-N 3.25Å; A461-N463 PolarHBondContact O-N 3.49Å; A461-L464 WeakPolarHBondContact O-CB 3.42Å; A461-L464 PolarHBondContact O-N 3.11Å
462	R	94.7	Very high	81.6	Confident	37 Å²	37	77.6 Å²	77.6	14%	0.14	40%	0.397	C	S	.	.	H	α-helix	trans	-62	-35.4	175.3	-167.2	-175	-54.2	92.5	4.6	112.2	R390 L429 P430 R431 L458 N459 T460 L464	R390-R462 VanDerWaalsContact CD-O 3.25Å; R390-R462 WeakPolarHBondContact CD-O 3.4Å; R390-R462 PolarHBondContact NE-O 2.91Å; R390-R462 VanDerWaalsContact NE-O 3.09Å; L429-R462 HydrophobicContact CD1-CB 4.33Å; L429-R462 HydrophobicContact CD1-CG 4.35Å; L429-R462 PolarHBondContact O-NE 2.94Å; L429-R462 PolarHBondContact O-NH2 3.32Å; P430-R462 PolarHBondContact O-NH2 2.65Å; R431-R462 VanDerWaalsContact CA-NH2 3.31Å; R431-R462 VanDerWaalsContact CG-NH2 3.29Å; L458-R462 WeakPolarHBondContact O-CB 3.41Å; L458-R462 PolarHBondContact O-N 3.08Å; N459-R462 PolarHBondContact O-N 2.99Å; N459-R462 PolarHBondContact OD1-NH1 2.97Å; T460-R462 PolarHBondContact O-N 3.04Å; R462-L464 VanDerWaalsContact C-N 3.28Å; R462-L464 PolarHBondContact O-N 3.3Å
463	N	94.2	Very high	78.8	Confident	126 Å²	126	77.9 Å²	77.9	67%	0.674	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	2.3	-175.8	-65.2	-18.9	0	0	0	113.4	N459 T460 A461	N459-N463 VanDerWaalsContact O-CG 3.27Å; N459-N463 PolarHBondContact O-N 3.32Å; N459-N463 VanDerWaalsContact O-N 3.1Å; N459-N463 PolarHBondContact O-ND2 3.49Å; T460-N463 PolarHBondContact O-N 3.02Å; A461-N463 VanDerWaalsContact C-N 3.25Å; A461-N463 PolarHBondContact O-N 3.49Å
464	L	93.4	Very high	76.3	Confident	37 Å²	37	79.1 Å²	79.1	19%	0.194	40%	0.399	C	S	.	.	S	Bend	trans	-61	141.8	173.9	-71.9	168	0	0	0	110.8	R390 Q393 W397 T460 A461 R462	R390-L464 HydrophobicContact CG-CB 4.26Å; R390-L464 VanDerWaalsContact CZ-O 3.22Å; R390-L464 PolarHBondContact NE-O 2.95Å; R390-L464 PolarHBondContact NH2-O 3.27Å; Q393-L464 HydrophobicContact CB-CD1 3.62Å; Q393-L464 HydrophobicContact CG-CD1 3.63Å; W397-L464 HydrophobicContact CH2-CD1 4.19Å; W397-L464 HydrophobicContact CH2-CD2 4.32Å; W397-L464 HydrophobicContact CZ3-CD1 4.47Å; T460-L464 PolarHBondContact O-N 3.32Å; A461-L464 WeakPolarHBondContact O-CB 3.42Å; A461-L464 PolarHBondContact O-N 3.11Å; R462-L464 VanDerWaalsContact C-N 3.28Å; R462-L464 PolarHBondContact O-N 3.3Å
465	P	87.9	Confident	73.9	Confident	95 Å²	95	84.1 Å²	84.1	62%	0.617	43%	0.431	S	S	*	.			trans	-61	151.2	177.1	26.4	-33.7	0	0	0	110.7	V467	P465-V467 PolarHBondContact O-N 3.44Å
466	D	75.5	Confident	71.6	Confident	124 Å²	124	89.9 Å²	89.9	66%	0.663	46%	0.457	S	S	*	.			trans	-66	111.2	170.2	-72.8	-13.8	0	0	0	107.9	R390 Q468	R390-D466 IonicContact CZ-OD1 2.74Å; R390-D466 IonicContact NE-OD1 3.42Å; R390-D466 IonicContact NH1-OD1 2.67Å; R390-D466 IonicContact NH2-OD1 3.61Å; R390-D466 PolarHBondContact NH2-OD1 3.45Å; D466-Q468 PolarHBondContact O-N 3.2Å
467	V	69.4	Low	69.3	Low	78 Å²	78	84.3 Å²	84.3	47%	0.473	44%	0.438	S	S	.	.			trans	-77.9	118.3	173.2	-178.3	0	0	0	0	107.2	H389 P465 Q469	H389-V467 VanDerWaalsContact CD2-CG2 3.42Å; H389-V467 WeakPolarHBondContact CD2-CG2 3.39Å; H389-V467 WeakPolarHBondContact NE2-CG2 3.5Å; P465-V467 PolarHBondContact O-N 3.44Å; V467-Q469 PolarHBondContact O-N 2.78Å
468	Q	51.2	Low	67.1	Low	162 Å²	162	86 Å²	86	76%	0.757	45%	0.452	S	S	*	.			trans	-57.9	111.3	161.1	-74.9	-175.7	-6.8	0	0	106.3	D466 K470	D466-Q468 PolarHBondContact O-N 3.2Å; Q468-K470 PolarHBondContact O-N 3.36Å
469	Q	50.2	Low	65.2	Low	141 Å²	141	90.3 Å²	90.3	66%	0.659	47%	0.474	S	S	*	.			trans	-54.1	108	176.3	-94.8	177.2	-21.9	0	0	107.8	V467 V471	V467-Q469 PolarHBondContact O-N 2.78Å; Q469-V471 PolarHBondContact O-N 3.47Å; Q469-V471 VanDerWaalsContact O-N 3.07Å
470	K	41.7	Very low	63.2	Low	191 Å²	191	92 Å²	92	83%	0.83	48%	0.483	S	S	*	.			trans	-59.8	116.5	164.1	-118.2	-178.6	-179.9	-179.8	0	105.4	Q468 I472	Q468-K470 PolarHBondContact O-N 3.36Å; K470-I472 VanDerWaalsContact C-N 3.34Å; K470-I472 PolarHBondContact O-N 3.17Å
471	V	41.3	Very low	61.1	Low	55 Å²	55	94.3 Å²	94.3	33%	0.333	49%	0.486	S	S	.	.			trans	-60.8	99.7	174.6	-163.8	0	0	0	0	106.6	Y24 Q469 F473	Y24-V471 HydrophobicContact CE2-CG1 3.9Å; Y24-V471 HydrophobicContact CE2-CG2 4.23Å; Y24-V471 VanDerWaalsContact OH-CB 3.31Å; Y24-V471 WeakPolarHBondContact OH-CB 3.36Å; Y24-V471 WeakPolarHBondContact OH-CG1 3.15Å; Y24-V471 WeakPolarHBondContact OH-CG2 3.25Å; Q469-V471 PolarHBondContact O-N 3.47Å; Q469-V471 VanDerWaalsContact O-N 3.07Å; V471-F473 VanDerWaalsContact C-N 3.34Å; V471-F473 HydrophobicContact CB-CD2 4.37Å; V471-F473 HydrophobicContact CB-CE2 3.98Å; V471-F473 HydrophobicContact CB-CZ 4.24Å; V471-F473 HydrophobicContact CG1-CD1 4.2Å; V471-F473 HydrophobicContact CG1-CD2 4.18Å; V471-F473 HydrophobicContact CG1-CE1 3.97Å; V471-F473 HydrophobicContact CG1-CE2 3.94Å; V471-F473 HydrophobicContact CG1-CG 4.32Å; V471-F473 HydrophobicContact CG1-CZ 3.83Å; V471-F473 PolarHBondContact O-N 2.91Å
472	I	44.1	Very low	59.3	Low	155 Å²	155	97.3 Å²	97.3	80%	0.795	51%	0.507	S	S	*	.			trans	-82.7	95.8	168.4	-59.1	176.9	0	0	0	104.4	K470	K470-I472 VanDerWaalsContact C-N 3.34Å; K470-I472 PolarHBondContact O-N 3.17Å
473	F	39.2	Very low	57.7	Low	79 Å²	79	101.3 Å²	101.3	35%	0.346	53%	0.526	S	S	.	.			trans	-59.6	137.2	172.2	-68.9	-83.1	0	0	0	108.7	Y20 V471 F477	Y20-F473 AromaticContact CD2-CE1 3.85Å; Y20-F473 HydrophobicContact CD2-CE1 3.85Å; Y20-F473 HydrophobicContact CD2-CZ 4.28Å; Y20-F473 AromaticContact CE2-CE1 3.54Å; Y20-F473 HydrophobicContact CE2-CE1 3.54Å; Y20-F473 AromaticContact CE2-CZ 3.56Å; Y20-F473 HydrophobicContact CE2-CZ 3.56Å; V471-F473 VanDerWaalsContact C-N 3.34Å; V471-F473 HydrophobicContact CB-CD2 4.37Å; V471-F473 HydrophobicContact CB-CE2 3.98Å; V471-F473 HydrophobicContact CB-CZ 4.24Å; V471-F473 HydrophobicContact CG1-CD1 4.2Å; V471-F473 HydrophobicContact CG1-CD2 4.18Å; V471-F473 HydrophobicContact CG1-CE1 3.97Å; V471-F473 HydrophobicContact CG1-CE2 3.94Å; V471-F473 HydrophobicContact CG1-CG 4.32Å; V471-F473 HydrophobicContact CG1-CZ 3.83Å; V471-F473 PolarHBondContact O-N 2.91Å; F473-F477 HydrophobicContact CB-CB 4.14Å; F473-F477 HydrophobicContact CD1-CB 4.36Å; F473-F477 HydrophobicContact CD1-CD1 4.06Å; F473-F477 HydrophobicContact CD1-CG 4.45Å
474	P	43.4	Very low	56	Low	53 Å²	53	98.1 Å²	98.1	34%	0.344	51%	0.51	S	S	.	.			trans	-53	146.8	169.3	-22.5	31.3	0	0	0	110.2	H476 F477 C478	P474-H476 WeakPolarHBondContact CB-CE1 3.29Å; P474-H476 WeakPolarHBondContact CB-ND1 3.31Å; P474-H476 WeakPolarHBondContact CB-NE2 3.42Å; P474-H476 PolarHBondContact O-N 2.81Å; P474-F477 WeakPolarHBondContact O-CB 3.35Å; P474-F477 PolarHBondContact O-N 3.3Å; P474-C478 PolarHBondContact O-N 3.41Å
475	P	45.6	Very low	54.1	Low	104 Å²	104	100.1 Å²	100.1	68%	0.675	52%	0.519	S	S	*	.	H	α-helix	trans	-52.9	-35.9	-176.3	-25.1	32.1	0	0	0	113.3	F477 C478 I479	P475-F477 VanDerWaalsContact C-N 3.3Å; P475-F477 PolarHBondContact O-N 2.92Å; P475-C478 PolarHBondContact O-N 3.44Å; P475-I479 WeakPolarHBondContact O-CD1 3.4Å; P475-I479 VanDerWaalsContact O-CG1 3.29Å; P475-I479 WeakPolarHBondContact O-CG1 3.29Å; P475-I479 PolarHBondContact O-N 3.4Å; P475-I479 VanDerWaalsContact O-N 3.16Å
476	H	50.9	Low	52.8	Low	126 Å²	126	103.1 Å²	103.1	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-32.5	177.3	56.2	-103.1	0	0	0	113.3	P474 I479 L480	P474-H476 WeakPolarHBondContact CB-CE1 3.29Å; P474-H476 WeakPolarHBondContact CB-ND1 3.31Å; P474-H476 WeakPolarHBondContact CB-NE2 3.42Å; P474-H476 PolarHBondContact O-N 2.81Å; H476-I479 PolarHBondContact O-N 2.92Å; H476-L480 WeakPolarHBondContact O-CB 3.35Å; H476-L480 PolarHBondContact O-N 2.76Å
477	F	48.6	Very low	52	Low	53 Å²	53	99.4 Å²	99.4	23%	0.232	50%	0.499	C	S	.	.	H	α-helix	trans	-73.5	-38.3	178.6	-123.5	-91.5	0	0	0	111.8	V16 F473 P474 P475 I479 L480 F481	V16-F477 HydrophobicContact CG1-CE1 4.34Å; F473-F477 HydrophobicContact CB-CB 4.14Å; F473-F477 HydrophobicContact CD1-CB 4.36Å; F473-F477 HydrophobicContact CD1-CD1 4.06Å; F473-F477 HydrophobicContact CD1-CG 4.45Å; P474-F477 WeakPolarHBondContact O-CB 3.35Å; P474-F477 PolarHBondContact O-N 3.3Å; P475-F477 VanDerWaalsContact C-N 3.3Å; P475-F477 PolarHBondContact O-N 2.92Å; F477-I479 VanDerWaalsContact C-N 3.32Å; F477-I479 PolarHBondContact O-N 3.08Å; F477-L480 PolarHBondContact O-N 2.71Å; F477-F481 WeakPolarHBondContact O-CB 3.19Å; F477-F481 PolarHBondContact O-N 2.99Å
478	C	50	Low	51.1	Low	68 Å²	68	98.5 Å²	98.5	46%	0.459	49%	0.492	S	S	.	.	H	α-helix	trans	-65	-36.3	173.2	-69.7	0	0	0	0	112.2	P474 P475 S482	P474-C478 PolarHBondContact O-N 3.41Å; P475-C478 PolarHBondContact O-N 3.44Å; C478-S482 WeakPolarHBondContact O-CB 3.48Å; C478-S482 PolarHBondContact O-N 3.09Å; C478-S482 PolarHBondContact O-OG 2.69Å
479	I	58	Low	51.1	Low	91 Å²	91	98.4 Å²	98.4	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-42.6	176.4	-65.7	164.2	0	0	0	110.6	P475 H476 F477 S482 K483	P475-I479 WeakPolarHBondContact O-CD1 3.4Å; P475-I479 VanDerWaalsContact O-CG1 3.29Å; P475-I479 WeakPolarHBondContact O-CG1 3.29Å; P475-I479 PolarHBondContact O-N 3.4Å; P475-I479 VanDerWaalsContact O-N 3.16Å; H476-I479 PolarHBondContact O-N 2.92Å; F477-I479 VanDerWaalsContact C-N 3.32Å; F477-I479 PolarHBondContact O-N 3.08Å; I479-S482 WeakPolarHBondContact CA-OG 3.39Å; I479-S482 PolarHBondContact O-OG 3.02Å; I479-K483 HydrophobicContact CG2-CD 4.32Å; I479-K483 WeakPolarHBondContact O-CB 3.49Å; I479-K483 WeakPolarHBondContact O-CG 3.39Å; I479-K483 PolarHBondContact O-N 3.3Å; I479-K483 VanDerWaalsContact O-N 3.08Å
480	L	56.2	Low	51.4	Low	78 Å²	78	96.2 Å²	96.2	41%	0.408	48%	0.477	S	S	.	.	H	α-helix	trans	-64.7	-45.1	177.9	-170	67.8	0	0	0	111.2	H476 F477 K483 V484	H476-L480 WeakPolarHBondContact O-CB 3.35Å; H476-L480 PolarHBondContact O-N 2.76Å; F477-L480 PolarHBondContact O-N 2.71Å; L480-K483 PolarHBondContact O-N 3.28Å; L480-V484 WeakPolarHBondContact O-CG2 3.25Å; L480-V484 PolarHBondContact O-N 3.48Å
481	F	51.3	Low	51.7	Low	127 Å²	127	92.5 Å²	92.5	56%	0.557	46%	0.459	S	S	*	.	H	α-helix	trans	-62.5	-45	179.5	-161.6	-89.5	0	0	0	112.3	F477 K483 V484 E485	F477-F481 WeakPolarHBondContact O-CB 3.19Å; F477-F481 PolarHBondContact O-N 2.99Å; F481-K483 PolarHBondContact O-N 3.07Å; F481-V484 PolarHBondContact O-N 3.43Å; F481-E485 WeakPolarHBondContact O-CB 3.17Å; F481-E485 PolarHBondContact O-N 3.32Å
482	S	58.5	Low	52	Low	63 Å²	63	97.2 Å²	97.2	44%	0.441	48%	0.475	S	S	.	.	H	α-helix	trans	-66	-34.8	177.5	52.7	0	0	0	0	113.1	C478 I479 R486	C478-S482 WeakPolarHBondContact O-CB 3.48Å; C478-S482 PolarHBondContact O-N 3.09Å; C478-S482 PolarHBondContact O-OG 2.69Å; I479-S482 WeakPolarHBondContact CA-OG 3.39Å; I479-S482 PolarHBondContact O-OG 3.02Å; S482-R486 WeakPolarHBondContact O-CB 3.15Å; S482-R486 PolarHBondContact O-N 3.23Å
483	K	61.2	Low	52.2	Low	122 Å²	122	94.2 Å²	94.2	53%	0.53	47%	0.468	S	S	.	.	H	α-helix	trans	-65.5	-45.5	173.1	-78.1	-179.8	177.9	-176.8	0	111.9	I479 L480 F481 R486 V487	I479-K483 HydrophobicContact CG2-CD 4.32Å; I479-K483 WeakPolarHBondContact O-CB 3.49Å; I479-K483 WeakPolarHBondContact O-CG 3.39Å; I479-K483 PolarHBondContact O-N 3.3Å; I479-K483 VanDerWaalsContact O-N 3.08Å; L480-K483 PolarHBondContact O-N 3.28Å; F481-K483 PolarHBondContact O-N 3.07Å; K483-R486 PolarHBondContact O-N 3.26Å; K483-V487 WeakPolarHBondContact O-CG2 3.29Å; K483-V487 PolarHBondContact O-N 2.95Å; K483-V487 VanDerWaalsContact O-N 3.15Å
484	V	58.6	Low	52.5	Low	58 Å²	58	97.1 Å²	97.1	35%	0.352	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-44.3	177.5	172.9	0	0	0	0	110.8	L480 F481 R486 V487 L488	L480-V484 WeakPolarHBondContact O-CG2 3.25Å; L480-V484 PolarHBondContact O-N 3.48Å; F481-V484 PolarHBondContact O-N 3.43Å; V484-R486 VanDerWaalsContact C-N 3.33Å; V484-R486 PolarHBondContact O-N 3.15Å; V484-V487 PolarHBondContact O-N 3.4Å; V484-L488 HydrophobicContact CG1-CD1 4.15Å; V484-L488 WeakPolarHBondContact O-CG 3.29Å; V484-L488 PolarHBondContact O-N 3.39Å
485	E	54	Low	52.3	Low	79 Å²	79	97.8 Å²	97.8	37%	0.369	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-40.1	177.7	-165.4	-171.1	158.3	0	0	112.3	F481 L488 R489	F481-E485 WeakPolarHBondContact O-CB 3.17Å; F481-E485 PolarHBondContact O-N 3.32Å; E485-L488 PolarHBondContact O-N 3.04Å; E485-R489 PolarHBondContact O-N 3.05Å; E485-R489 IonicContact OE1-CZ 3.57Å; E485-R489 IonicContact OE1-NE 2.79Å; E485-R489 PolarHBondContact OE1-NE 3.46Å; E485-R489 VanDerWaalsContact OE1-NE 3.14Å; E485-R489 IonicContact OE1-NH2 2.76Å; E485-R489 PolarHBondContact OE1-NH2 2.81Å
486	R	60.8	Low	51.6	Low	159 Å²	159	102 Å²	102	60%	0.6	50%	0.502	S	S	*	.	H	α-helix	trans	-64.6	-40.6	177.2	-168.8	178.4	74.8	157.5	4.4	112.4	S482 K483 V484 R489 N490	S482-R486 WeakPolarHBondContact O-CB 3.15Å; S482-R486 PolarHBondContact O-N 3.23Å; K483-R486 PolarHBondContact O-N 3.26Å; V484-R486 VanDerWaalsContact C-N 3.33Å; V484-R486 PolarHBondContact O-N 3.15Å; R486-R489 PolarHBondContact O-N 2.74Å; R486-N490 PolarHBondContact O-N 3.14Å
487	V	58	Low	50.7	Low	45 Å²	45	103.5 Å²	103.5	27%	0.273	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-43	176.4	171.9	0	0	0	0	110.5	F9 K483 V484 N490 Y491 F544	F9-V487 HydrophobicContact CZ-CG1 4.38Å; K483-V487 WeakPolarHBondContact O-CG2 3.29Å; K483-V487 PolarHBondContact O-N 2.95Å; K483-V487 VanDerWaalsContact O-N 3.15Å; V484-V487 PolarHBondContact O-N 3.4Å; V487-N490 PolarHBondContact O-N 2.94Å; V487-Y491 WeakPolarHBondContact O-CB 3.41Å; V487-Y491 PolarHBondContact O-N 2.94Å; V487-F544 HydrophobicContact CG2-CE1 4.41Å; V487-F544 HydrophobicContact CG2-CE2 4.48Å; V487-F544 HydrophobicContact CG2-CZ 3.78Å
488	L	49.5	Very low	49.7	Very low	60 Å²	60	108.6 Å²	108.6	31%	0.314	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-47.6	176.4	-68.3	171.4	0	0	0	111.6	F9 V484 E485 N490 Y491 F492	F9-L488 HydrophobicContact CD1-CD2 4.4Å; V484-L488 HydrophobicContact CG1-CD1 4.15Å; V484-L488 WeakPolarHBondContact O-CG 3.29Å; V484-L488 PolarHBondContact O-N 3.39Å; E485-L488 PolarHBondContact O-N 3.04Å; L488-N490 PolarHBondContact O-N 3.47Å; L488-Y491 PolarHBondContact O-N 2.94Å; L488-F492 HydrophobicContact CD2-CE2 4.37Å; L488-F492 WeakPolarHBondContact O-CD2 3.43Å; L488-F492 PolarHBondContact O-N 3.4Å
489	R	52.5	Low	48.7	Very low	159 Å²	159	112.1 Å²	112.1	60%	0.6	55%	0.554	S	S	*	*	H	α-helix	trans	-59.2	-46.1	177.5	-77	-179.6	-167.2	-94.3	0.6	112.2	E485 R486 Y491 F492 S493	E485-R489 PolarHBondContact O-N 3.05Å; E485-R489 IonicContact OE1-CZ 3.57Å; E485-R489 IonicContact OE1-NE 2.79Å; E485-R489 PolarHBondContact OE1-NE 3.46Å; E485-R489 VanDerWaalsContact OE1-NE 3.14Å; E485-R489 IonicContact OE1-NH2 2.76Å; E485-R489 PolarHBondContact OE1-NH2 2.81Å; R486-R489 PolarHBondContact O-N 2.74Å; R489-Y491 VanDerWaalsContact C-N 3.33Å; R489-Y491 PolarHBondContact O-N 2.78Å; R489-F492 PolarHBondContact O-N 3.31Å; R489-S493 WeakPolarHBondContact O-CB 3.38Å; R489-S493 PolarHBondContact O-N 3.47Å; R489-S493 PolarHBondContact O-OG 3.44Å; R489-S493 VanDerWaalsContact O-OG 3.1Å
490	N	55.5	Low	47.3	Very low	96 Å²	96	115.6 Å²	115.6	51%	0.513	57%	0.566	S	S	.	*	H	α-helix	trans	-66	-35.2	179.2	-76.5	-5	0	0	0	112.7	R486 V487 L488 N494	R486-N490 PolarHBondContact O-N 3.14Å; V487-N490 PolarHBondContact O-N 2.94Å; L488-N490 PolarHBondContact O-N 3.47Å; N490-N494 WeakPolarHBondContact O-CB 3.13Å; N490-N494 PolarHBondContact O-N 3.47Å; N490-N494 PolarHBondContact O-ND2 3.41Å
491	Y	48.9	Very low	46	Very low	113 Å²	113	120 Å²	120	44%	0.443	58%	0.582	S	S	.	*	H	α-helix	trans	-68.5	-45.2	176.5	-166.6	-98.8	0	0	0	111.6	F2 V487 L488 R489 N494 C495	F2-Y491 HydrophobicContact CE2-CE1 4.37Å; F2-Y491 WeakPolarHBondContact CE2-OH 3.48Å; V487-Y491 WeakPolarHBondContact O-CB 3.41Å; V487-Y491 PolarHBondContact O-N 2.94Å; L488-Y491 PolarHBondContact O-N 2.94Å; R489-Y491 VanDerWaalsContact C-N 3.33Å; R489-Y491 PolarHBondContact O-N 2.78Å; Y491-N494 PolarHBondContact O-N 3.33Å; Y491-C495 PolarHBondContact O-N 3.45Å
492	F	47.2	Very low	45.1	Very low	154 Å²	154	119 Å²	119	68%	0.675	59%	0.588	S	S	*	*	H	α-helix	trans	-70.9	-28.8	178.1	-76.7	-68.2	0	0	0	113.7	L488 R489	L488-F492 HydrophobicContact CD2-CE2 4.37Å; L488-F492 WeakPolarHBondContact O-CD2 3.43Å; L488-F492 PolarHBondContact O-N 3.4Å; R489-F492 PolarHBondContact O-N 3.31Å
493	S	48.2	Very low	43.8	Very low	91 Å²	91	122.1 Å²	122.1	64%	0.636	60%	0.6	S	S	*	*	H	α-helix	trans	-72.8	-26.6	173.9	-68.3	0	0	0	0	113.5	R489	R489-S493 WeakPolarHBondContact O-CB 3.38Å; R489-S493 PolarHBondContact O-N 3.47Å; R489-S493 PolarHBondContact O-OG 3.44Å; R489-S493 VanDerWaalsContact O-OG 3.1Å
494	N	45.8	Very low	42.5	Very low	140 Å²	140	123 Å²	123	75%	0.749	61%	0.606	S	S	*	*	H	α-helix	trans	-91.7	-15.3	-178.9	-73.8	-26.3	0	0	0	114	N490 Y491 H496	N490-N494 WeakPolarHBondContact O-CB 3.13Å; N490-N494 PolarHBondContact O-N 3.47Å; N490-N494 PolarHBondContact O-ND2 3.41Å; Y491-N494 PolarHBondContact O-N 3.33Å; N494-H496 PolarHBondContact O-N 3.27Å
495	C	38.9	Very low	41.4	Very low	68 Å²	68	126.4 Å²	126.4	46%	0.459	62%	0.621	S	S	.	*			trans	-89.7	79.4	175	-69.5	0	0	0	0	111	Y491 L497	Y491-C495 PolarHBondContact O-N 3.45Å; C495-L497 VanDerWaalsContact C-N 3.25Å; C495-L497 PolarHBondContact O-N 2.83Å; C495-L497 VanDerWaalsContact O-N 3.11Å
496	H	31.7	Very low	40.6	Very low	192 Å²	192	128.7 Å²	128.7	89%	0.889	64%	0.635	S	S	*	*			trans	-83.3	61	171.8	-123.4	7	0	0	0	111.7	N494	N494-H496 PolarHBondContact O-N 3.27Å
497	L	31.2	Very low	39.4	Very low	158 Å²	158	127.4 Å²	127.4	83%	0.827	64%	0.636	S	S	*	*			trans	-139.7	104.6	172.8	-100.4	157.1	0	0	0	111	C495	C495-L497 VanDerWaalsContact C-N 3.25Å; C495-L497 PolarHBondContact O-N 2.83Å; C495-L497 VanDerWaalsContact O-N 3.11Å
498	M	27.8	Very low	38.4	Very low	160 Å²	160	132.3 Å²	132.3	79%	0.788	66%	0.661	S	S	*	*			trans	27.9	121	145.8	-72.2	-86.2	-155.4	0	0	119.1
499	L	28.5	Very low	38	Very low	141 Å²	141	136.3 Å²	136.3	74%	0.738	67%	0.672	S	S	*	*			trans	68.5	115.4	145.2	-60.5	160.7	0	0	0	116.7
500	F	28.4	Very low	37.4	Very low	165 Å²	165	136.3 Å²	136.3	72%	0.724	67%	0.671	S	S	*	*				-170.5	130.5	110.9	-93.5	-70.4	0	0	0	110
501	K	30.3	Very low	36.8	Very low	169 Å²	169	137.6 Å²	137.6	74%	0.735	68%	0.679	S	S	*	*			trans	-63.8	138.7	169.8	-73.5	178.3	176.3	176.6	0	108.6	D503	K501-D503 PolarHBondContact O-N 3.26Å
502	P	31	Very low	36.5	Very low	106 Å²	106	137.7 Å²	137.7	69%	0.688	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-1.3	-177.7	-20.5	32	0	0	0	116
503	D	32.8	Very low	36	Very low	129 Å²	129	136 Å²	136	69%	0.69	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-14.7	-169.7	-65.9	-38.7	0	0	0	114.8	K501	K501-D503 PolarHBondContact O-N 3.26Å
504	E	33.1	Very low	35.7	Very low	142 Å²	142	137.3 Å²	137.3	66%	0.664	67%	0.669	S	S	*	*	S	Bend	trans	-97.9	-17.9	-174.9	-78.4	-179.1	161.5	0	0	115.1
505	L	35.9	Very low	35.6	Very low	128 Å²	128	136.9 Å²	136.9	67%	0.67	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-16.3	177.6	-103.7	150.5	0	0	0	113.9
506	L	36	Very low	35.7	Very low	127 Å²	127	138.8 Å²	138.8	67%	0.665	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-11.2	-180	-81.8	161.2	0	0	0	113.9
507	H	36.9	Very low	36	Very low	133 Å²	133	135.5 Å²	135.5	62%	0.616	65%	0.645	S	S	*	*	S	Bend	trans	-87.9	-28.4	-177.8	-110.4	61.6	0	0	0	114.4
508	N	37.4	Very low	36.6	Very low	148 Å²	148	131 Å²	131	79%	0.791	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	5.3	-171.5	-75.3	-11.3	0	0	0	115.6
509	R	40.2	Very low	37.2	Very low	144 Å²	144	128.7 Å²	128.7	54%	0.543	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.3	27	176.8	-64.9	-145.6	-123.4	-176	-1.2	114.4	D511 E512 Y513	R509-D511 PolarHBondContact O-N 3.35Å; R509-E512 HydrophobicContact CB-CB 4.44Å; R509-E512 WeakPolarHBondContact CD-OE2 3.37Å; R509-E512 IonicContact CZ-OE2 3.88Å; R509-E512 IonicContact NE-OE2 3.87Å; R509-E512 IonicContact NH1-OE2 3.02Å; R509-E512 PolarHBondContact NH1-OE2 3.19Å; R509-E512 PolarHBondContact O-N 2.94Å; R509-Y513 PolarHBondContact O-N 3.21Å; R509-Y513 VanDerWaalsContact O-N 3.14Å
510	R	39.7	Very low	37.5	Very low	158 Å²	158	127.2 Å²	127.2	60%	0.596	61%	0.609	S	S	*	*	H	α-helix	trans	-60.7	-33.4	179.8	-140.7	175.6	-169.9	173.2	2.5	112	Q514	R510-Q514 WeakPolarHBondContact O-CG 3.46Å; R510-Q514 PolarHBondContact O-N 2.95Å
511	D	43.1	Very low	37.8	Very low	124 Å²	124	123.2 Å²	123.2	66%	0.663	61%	0.606	S	S	*	*	H	α-helix	trans	-74.9	-41.1	-180	-60.2	-21.8	0	0	0	112.1	R509 Y513 Q514 Q515	R509-D511 PolarHBondContact O-N 3.35Å; D511-Y513 VanDerWaalsContact C-N 3.26Å; D511-Y513 PolarHBondContact O-N 3.25Å; D511-Q514 PolarHBondContact O-N 3.4Å; D511-Q515 WeakPolarHBondContact O-CB 3.28Å; D511-Q515 PolarHBondContact O-N 3.1Å
512	E	41.7	Very low	37.8	Very low	115 Å²	115	121.5 Å²	121.5	54%	0.537	60%	0.601	S	S	.	*	H	α-helix	trans	-61.6	-36.4	173.4	-73.3	179.6	-164.1	0	0	111.5	R509 W516	R509-E512 HydrophobicContact CB-CB 4.44Å; R509-E512 WeakPolarHBondContact CD-OE2 3.37Å; R509-E512 IonicContact CZ-OE2 3.88Å; R509-E512 IonicContact NE-OE2 3.87Å; R509-E512 IonicContact NH1-OE2 3.02Å; R509-E512 PolarHBondContact NH1-OE2 3.19Å; R509-E512 PolarHBondContact O-N 2.94Å; E512-W516 WeakPolarHBondContact O-CB 3.46Å; E512-W516 PolarHBondContact O-N 3.44Å; E512-W516 VanDerWaalsContact O-N 3.12Å
513	Y	36.4	Very low	37.8	Very low	117 Å²	117	122.3 Å²	122.3	46%	0.459	61%	0.606	S	S	.	*	H	α-helix	trans	-73.1	-38.1	178.9	-148.9	-86.1	0	0	0	112.5	Y10 R509 D511 E517	Y10-Y513 PolarHBondContact OH-OH 3.48Å; R509-Y513 PolarHBondContact O-N 3.21Å; R509-Y513 VanDerWaalsContact O-N 3.14Å; D511-Y513 VanDerWaalsContact C-N 3.26Å; D511-Y513 PolarHBondContact O-N 3.25Å; Y513-E517 PolarHBondContact O-N 3.34Å
514	Q	43.4	Very low	37.9	Very low	120 Å²	120	121.8 Å²	121.8	56%	0.561	60%	0.599	S	S	*	*	H	α-helix	trans	-71.6	-36.5	176	-77.1	-169.6	-6.4	0	0	112.6	R510 D511 W516 E517 A518	R510-Q514 WeakPolarHBondContact O-CG 3.46Å; R510-Q514 PolarHBondContact O-N 2.95Å; D511-Q514 PolarHBondContact O-N 3.4Å; Q514-W516 VanDerWaalsContact C-N 3.34Å; Q514-E517 PolarHBondContact O-N 2.91Å; Q514-A518 WeakPolarHBondContact O-CB 3.46Å; Q514-A518 PolarHBondContact O-N 2.96Å
515	Q	43	Very low	37.8	Very low	130 Å²	130	121 Å²	121	61%	0.607	60%	0.599	S	S	*	*	H	α-helix	trans	-66.6	-38.9	175.7	-166.1	165.4	-0.2	0	0	111.2	D511 A518 E519	D511-Q515 WeakPolarHBondContact O-CB 3.28Å; D511-Q515 PolarHBondContact O-N 3.1Å; Q515-A518 PolarHBondContact O-N 3.26Å; Q515-E519 PolarHBondContact O-N 2.97Å; Q515-E519 VanDerWaalsContact O-N 3.09Å
516	W	40.5	Very low	37.6	Very low	108 Å²	108	120.9 Å²	120.9	41%	0.409	59%	0.594	S	S	.	*	H	α-helix	trans	-69	-39	174.3	-172.6	76.4	0	0	0	113.5	E512 Q514 A518 E519 M520	E512-W516 WeakPolarHBondContact O-CB 3.46Å; E512-W516 PolarHBondContact O-N 3.44Å; E512-W516 VanDerWaalsContact O-N 3.12Å; Q514-W516 VanDerWaalsContact C-N 3.34Å; W516-A518 VanDerWaalsContact C-N 3.28Å; W516-A518 PolarHBondContact O-N 3.44Å; W516-E519 PolarHBondContact O-N 3.27Å; W516-M520 HydrophobicContact CD2-CG 4.27Å; W516-M520 HydrophobicContact CH2-CG 4.46Å; W516-M520 HydrophobicContact CZ2-CE 4.32Å; W516-M520 HydrophobicContact CZ2-CG 4.03Å; W516-M520 WeakPolarHBondContact O-CG 3.33Å; W516-M520 PolarHBondContact O-N 3.18Å
517	E	39.2	Very low	37.4	Very low	123 Å²	123	118.8 Å²	118.8	58%	0.575	59%	0.59	S	S	*	*	H	α-helix	trans	-61.1	-35.2	171.4	-99.8	-172.2	157.5	0	0	112.3	Y513 Q514 A521	Y513-E517 PolarHBondContact O-N 3.34Å; Q514-E517 PolarHBondContact O-N 2.91Å; E517-A521 PolarHBondContact O-N 3.44Å
518	A	43.7	Very low	37	Very low	63 Å²	63	120 Å²	120	52%	0.521	60%	0.596	S	S	.	*	H	α-helix	trans	-72.4	-36	177.2	0	0	0	0	0	112.8	Q514 Q515 W516	Q514-A518 WeakPolarHBondContact O-CB 3.46Å; Q514-A518 PolarHBondContact O-N 2.96Å; Q515-A518 PolarHBondContact O-N 3.26Å; W516-A518 VanDerWaalsContact C-N 3.28Å; W516-A518 PolarHBondContact O-N 3.44Å
519	E	39.1	Very low	36.7	Very low	113 Å²	113	118 Å²	118	53%	0.528	58%	0.584	S	S	.	*	H	α-helix	trans	-69.7	-39.5	175.7	-75.3	177.7	179.3	0	0	112.1	Q515 W516 A521 Q522	Q515-E519 PolarHBondContact O-N 2.97Å; Q515-E519 VanDerWaalsContact O-N 3.09Å; W516-E519 PolarHBondContact O-N 3.27Å; E519-A521 VanDerWaalsContact C-N 3.27Å; E519-A521 PolarHBondContact O-N 3.18Å; E519-Q522 PolarHBondContact O-N 3.45Å
520	M	36.4	Very low	36.1	Very low	110 Å²	110	116.7 Å²	116.7	54%	0.542	60%	0.597	S	S	.	*	H	α-helix	trans	-76.3	-10.9	179.2	-70.4	-70.4	152.7	0	0	114.2	W516 Q522	W516-M520 HydrophobicContact CD2-CG 4.27Å; W516-M520 HydrophobicContact CH2-CG 4.46Å; W516-M520 HydrophobicContact CZ2-CE 4.32Å; W516-M520 HydrophobicContact CZ2-CG 4.03Å; W516-M520 WeakPolarHBondContact O-CG 3.33Å; W516-M520 PolarHBondContact O-N 3.18Å; M520-Q522 VanDerWaalsContact C-N 3.3Å
521	A	34.9	Very low	35.9	Very low	81 Å²	81	113.5 Å²	113.5	67%	0.669	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-6.6	175.8	0	0	0	0	0	113.6	E517 E519	E517-A521 PolarHBondContact O-N 3.44Å; E519-A521 VanDerWaalsContact C-N 3.27Å; E519-A521 PolarHBondContact O-N 3.18Å
522	Q	29.5	Very low	35.7	Very low	132 Å²	132	110.1 Å²	110.1	62%	0.617	58%	0.577	S	S	*	*	S	Bend	trans	-81.2	135.2	173.1	-67.5	-79.7	-16.2	0	0	110.2	E519 M520 H524	E519-Q522 PolarHBondContact O-N 3.45Å; M520-Q522 VanDerWaalsContact C-N 3.3Å; Q522-H524 PolarHBondContact O-N 3.37Å
523	P	30.1	Very low	35.5	Very low	123 Å²	123	112.9 Å²	112.9	80%	0.799	59%	0.589	S	S	*	*			trans	-72.6	95.8	179.2	28.9	-30.6	0	0	0	109.8
524	H	35.2	Very low	35.7	Very low	118 Å²	118	114.7 Å²	114.7	55%	0.546	60%	0.602	S	S	.	*			trans	-80.1	128.3	168.3	-72.2	-70.5	0	0	0	110.4	Q522 F526	Q522-H524 PolarHBondContact O-N 3.37Å; H524-F526 HydrophobicContact CB-CD2 4.14Å; H524-F526 HydrophobicContact CB-CE1 4.24Å; H524-F526 HydrophobicContact CB-CE2 3.53Å; H524-F526 HydrophobicContact CB-CZ 3.59Å; H524-F526 VanDerWaalsContact O-CD2 3.25Å; H524-F526 WeakPolarHBondContact O-CD2 3.39Å; H524-F526 PolarHBondContact O-N 3.32Å
525	D	31.1	Very low	35.7	Very low	126 Å²	126	114.2 Å²	114.2	67%	0.674	60%	0.603	S	S	*	*			trans	-76.4	104.1	171.8	-172.3	-6.5	0	0	0	109.2	S527	D525-S527 VanDerWaalsContact C-N 3.35Å; D525-S527 WeakPolarHBondContact OD1-CB 3.44Å; D525-S527 PolarHBondContact OD1-N 3.3Å; D525-S527 VanDerWaalsContact OD1-N 3.11Å; D525-S527 PolarHBondContact OD1-OG 2.76Å
526	F	32.9	Very low	35.6	Very low	125 Å²	125	112 Å²	112	55%	0.548	59%	0.594	S	S	.	*			trans	-94.9	17	-179.5	-69	-70.5	0	0	0	113.1	H524 H528 I529	H524-F526 HydrophobicContact CB-CD2 4.14Å; H524-F526 HydrophobicContact CB-CE1 4.24Å; H524-F526 HydrophobicContact CB-CE2 3.53Å; H524-F526 HydrophobicContact CB-CZ 3.59Å; H524-F526 VanDerWaalsContact O-CD2 3.25Å; H524-F526 WeakPolarHBondContact O-CD2 3.39Å; H524-F526 PolarHBondContact O-N 3.32Å; F526-H528 PolarHBondContact O-N 2.88Å; F526-I529 HydrophobicContact CD1-CD1 3.62Å; F526-I529 HydrophobicContact CD1-CG1 4.44Å; F526-I529 HydrophobicContact CE1-CD1 4.17Å; F526-I529 PolarHBondContact O-N 3.06Å
527	S	30.5	Very low	35.9	Very low	83 Å²	83	110.6 Å²	110.6	58%	0.58	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-4.7	179.9	57.3	0	0	0	0	115.1	D525	D525-S527 VanDerWaalsContact C-N 3.35Å; D525-S527 WeakPolarHBondContact OD1-CB 3.44Å; D525-S527 PolarHBondContact OD1-N 3.3Å; D525-S527 VanDerWaalsContact OD1-N 3.11Å; D525-S527 PolarHBondContact OD1-OG 2.76Å
528	H	29.3	Very low	36.2	Very low	160 Å²	160	108.2 Å²	108.2	74%	0.741	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	1.6	-179.2	-57.2	-57.2	0	0	0	115.4	F526 S530	F526-H528 PolarHBondContact O-N 2.88Å; H528-S530 PolarHBondContact O-N 2.92Å
529	I	29.9	Very low	36.3	Very low	106 Å²	106	107.7 Å²	107.7	54%	0.544	59%	0.585	S	S	.	*			trans	-97.8	90.4	-179.5	-57.8	-173.7	0	0	0	110.3	F526 I531	F526-I529 HydrophobicContact CD1-CD1 3.62Å; F526-I529 HydrophobicContact CD1-CG1 4.44Å; F526-I529 HydrophobicContact CE1-CD1 4.17Å; F526-I529 PolarHBondContact O-N 3.06Å; I529-I531 HydrophobicContact CG2-CD1 3.64Å; I529-I531 HydrophobicContact CG2-CG1 3.59Å
530	S	28	Very low	36.6	Very low	116 Å²	116	105.2 Å²	105.2	81%	0.811	58%	0.577	S	S	*	*			trans	-91	100.5	163.4	58.5	0	0	0	0	109.3	H528	H528-S530 PolarHBondContact O-N 2.92Å
531	I	37.1	Very low	37.2	Very low	90 Å²	90	103.9 Å²	103.9	46%	0.462	57%	0.572	S	S	.	*			trans	-92.7	117.5	171.6	-63.9	163.1	0	0	0	107.3	I529 L535 I536	I529-I531 HydrophobicContact CG2-CD1 3.64Å; I529-I531 HydrophobicContact CG2-CG1 3.59Å; I531-L535 HydrophobicContact CG2-CB 4.28Å; I531-I536 HydrophobicContact CG2-CD1 3.99Å; I531-I536 HydrophobicContact CG2-CG1 3.81Å
532	S	37.1	Very low	37.7	Very low	54 Å²	54	107.2 Å²	107.2	38%	0.378	57%	0.567	S	S	.	*			trans	-70.9	145.1	173.4	63.5	0	0	0	0	110.5	E534 L535	S532-E534 PolarHBondContact O-N 2.87Å; S532-E534 VanDerWaalsContact O-N 3.11Å; S532-L535 PolarHBondContact O-N 3.45Å
533	E	38.9	Very low	38.4	Very low	172 Å²	172	103.3 Å²	103.3	80%	0.804	55%	0.553	S	S	*	*	H	α-helix	trans	-53.4	-28.2	172.7	-91.8	-178.4	148.1	0	0	112.6	I536 T537	E533-I536 PolarHBondContact O-N 3.12Å; E533-T537 WeakPolarHBondContact O-CB 3.3Å; E533-T537 PolarHBondContact O-N 3.33Å; E533-T537 VanDerWaalsContact O-N 3.08Å; E533-T537 PolarHBondContact O-OG1 3.49Å
534	E	40.4	Very low	39	Very low	156 Å²	156	102.7 Å²	102.7	73%	0.729	54%	0.538	S	S	*	.	H	α-helix	trans	-60.9	-44.8	174	-86.8	178.9	152.2	0	0	112.6	S532 I536 T537 D538	S532-E534 PolarHBondContact O-N 2.87Å; S532-E534 VanDerWaalsContact O-N 3.11Å; E534-I536 VanDerWaalsContact C-N 3.3Å; E534-I536 PolarHBondContact O-N 3.23Å; E534-T537 PolarHBondContact O-N 2.91Å; E534-D538 VanDerWaalsContact O-CB 3.25Å; E534-D538 WeakPolarHBondContact O-CB 3.44Å; E534-D538 PolarHBondContact O-N 3.27Å
535	L	42.5	Very low	39.3	Very low	109 Å²	109	103.6 Å²	103.6	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-64	-34.8	-178.5	-100.9	151.1	0	0	0	112.8	I531 S532 A539	I531-L535 HydrophobicContact CG2-CB 4.28Å; S532-L535 PolarHBondContact O-N 3.45Å; L535-A539 WeakPolarHBondContact O-CB 3.44Å; L535-A539 PolarHBondContact O-N 3.2Å; L535-A539 VanDerWaalsContact O-N 3.09Å
536	I	41.2	Very low	39.8	Very low	85 Å²	85	101.9 Å²	101.9	44%	0.436	54%	0.536	S	S	.	.	H	α-helix	trans	-71.9	-43.1	176.4	-63	174.8	0	0	0	110.2	I531 E533 E534 D538 A539 V540	I531-I536 HydrophobicContact CG2-CD1 3.99Å; I531-I536 HydrophobicContact CG2-CG1 3.81Å; E533-I536 PolarHBondContact O-N 3.12Å; E534-I536 VanDerWaalsContact C-N 3.3Å; E534-I536 PolarHBondContact O-N 3.23Å; I536-D538 VanDerWaalsContact C-N 3.33Å; I536-D538 PolarHBondContact O-N 3.41Å; I536-A539 PolarHBondContact O-N 3.27Å; I536-V540 VanDerWaalsContact O-CG2 3.29Å; I536-V540 WeakPolarHBondContact O-CG2 3.29Å; I536-V540 PolarHBondContact O-N 3.12Å; I536-V540 VanDerWaalsContact O-N 3.08Å
537	T	46.7	Very low	40	Very low	78 Å²	78	98.8 Å²	98.8	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-64.6	-40.7	178.6	-53.8	0	0	0	0	111.1	E533 E534 V540 N541	E533-T537 WeakPolarHBondContact O-CB 3.3Å; E533-T537 PolarHBondContact O-N 3.33Å; E533-T537 VanDerWaalsContact O-N 3.08Å; E533-T537 PolarHBondContact O-OG1 3.49Å; E534-T537 PolarHBondContact O-N 2.91Å; T537-V540 PolarHBondContact O-N 3.34Å; T537-N541 WeakPolarHBondContact O-CB 3.5Å; T537-N541 PolarHBondContact O-N 3.24Å; T537-N541 PolarHBondContact O-ND2 3.05Å
538	D	46	Very low	40.4	Very low	73 Å²	73	98.2 Å²	98.2	39%	0.39	53%	0.529	S	S	.	.	H	α-helix	trans	-71.6	-36.3	-178.9	-147.7	42.3	0	0	0	112.1	E534 I536 N541 R542	E534-D538 VanDerWaalsContact O-CB 3.25Å; E534-D538 WeakPolarHBondContact O-CB 3.44Å; E534-D538 PolarHBondContact O-N 3.27Å; I536-D538 VanDerWaalsContact C-N 3.33Å; I536-D538 PolarHBondContact O-N 3.41Å; D538-N541 PolarHBondContact O-N 3.33Å; D538-R542 WeakPolarHBondContact O-CG 3.34Å; D538-R542 PolarHBondContact O-N 3.09Å; D538-R542 IonicContact OD2-CZ 3.6Å; D538-R542 IonicContact OD2-NE 3.14Å; D538-R542 PolarHBondContact OD2-NE 3.34Å; D538-R542 IonicContact OD2-NH2 3.04Å; D538-R542 PolarHBondContact OD2-NH2 2.93Å
539	A	45.1	Very low	40.8	Very low	52 Å²	52	94.6 Å²	94.6	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-40.2	172.1	0	0	0	0	0	112.3	L535 I536 T543	L535-A539 WeakPolarHBondContact O-CB 3.44Å; L535-A539 PolarHBondContact O-N 3.2Å; L535-A539 VanDerWaalsContact O-N 3.09Å; I536-A539 PolarHBondContact O-N 3.27Å; A539-T543 PolarHBondContact O-N 3.45Å; A539-T543 PolarHBondContact O-OG1 3.01Å
540	V	45.9	Very low	41.1	Very low	61 Å²	61	93.9 Å²	93.9	37%	0.37	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-43.1	175.2	171.2	0	0	0	0	110.8	I536 T537 T543 F544	I536-V540 VanDerWaalsContact O-CG2 3.29Å; I536-V540 WeakPolarHBondContact O-CG2 3.29Å; I536-V540 PolarHBondContact O-N 3.12Å; I536-V540 VanDerWaalsContact O-N 3.08Å; T537-V540 PolarHBondContact O-N 3.34Å; V540-T543 PolarHBondContact O-N 2.92Å; V540-F544 HydrophobicContact CG1-CD2 4.27Å; V540-F544 HydrophobicContact CG1-CE2 4.35Å; V540-F544 WeakPolarHBondContact O-CD2 3.36Å; V540-F544 PolarHBondContact O-N 3.32Å
541	N	48.9	Very low	41.5	Very low	82 Å²	82	92.8 Å²	92.8	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-41.7	-179.8	-71.1	-19.9	0	0	0	113	T537 D538 T543 F544 E545	T537-N541 WeakPolarHBondContact O-CB 3.5Å; T537-N541 PolarHBondContact O-N 3.24Å; T537-N541 PolarHBondContact O-ND2 3.05Å; D538-N541 PolarHBondContact O-N 3.33Å; N541-T543 PolarHBondContact O-N 3.48Å; N541-F544 WeakPolarHBondContact O-CA 3.5Å; N541-F544 WeakPolarHBondContact O-CB 3.42Å; N541-F544 PolarHBondContact O-N 3.34Å; N541-E545 PolarHBondContact O-N 3.49Å; N541-E545 VanDerWaalsContact O-N 3.07Å
542	R	45.8	Very low	41.2	Very low	151 Å²	151	95.7 Å²	95.7	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-63.2	-30.5	175.2	-72.5	-174.9	-131.5	-167.9	3.7	113.2	D538 F544 T546	D538-R542 WeakPolarHBondContact O-CG 3.34Å; D538-R542 PolarHBondContact O-N 3.09Å; D538-R542 IonicContact OD2-CZ 3.6Å; D538-R542 IonicContact OD2-NE 3.14Å; D538-R542 PolarHBondContact OD2-NE 3.34Å; D538-R542 IonicContact OD2-NH2 3.04Å; D538-R542 PolarHBondContact OD2-NH2 2.93Å; R542-F544 VanDerWaalsContact C-N 3.32Å; R542-T546 PolarHBondContact O-N 3.35Å; R542-T546 PolarHBondContact O-OG1 3.06Å
543	T	43.8	Very low	40.7	Very low	50 Å²	50	104 Å²	104	31%	0.307	56%	0.558	S	S	.	*	H	α-helix	trans	-71.4	-29.8	174.9	-46.9	0	0	0	0	111.3	F9 A539 V540 N541 T546 A547	F9-T543 HydrophobicContact CE2-CG2 4.44Å; F9-T543 HydrophobicContact CZ-CG2 4.39Å; A539-T543 PolarHBondContact O-N 3.45Å; A539-T543 PolarHBondContact O-OG1 3.01Å; V540-T543 PolarHBondContact O-N 2.92Å; N541-T543 PolarHBondContact O-N 3.48Å; T543-T546 PolarHBondContact O-OG1 3.4Å; T543-A547 PolarHBondContact O-N 3.08Å
544	F	42.9	Very low	40.2	Very low	110 Å²	110	102.1 Å²	102.1	48%	0.482	56%	0.562	S	S	.	*	H	α-helix	trans	-72.8	-42.4	173.1	-96	-85.1	0	0	0	112.7	V487 V540 N541 R542 T546 A547 S548	V487-F544 HydrophobicContact CG2-CE1 4.41Å; V487-F544 HydrophobicContact CG2-CE2 4.48Å; V487-F544 HydrophobicContact CG2-CZ 3.78Å; V540-F544 HydrophobicContact CG1-CD2 4.27Å; V540-F544 HydrophobicContact CG1-CE2 4.35Å; V540-F544 WeakPolarHBondContact O-CD2 3.36Å; V540-F544 PolarHBondContact O-N 3.32Å; N541-F544 WeakPolarHBondContact O-CA 3.5Å; N541-F544 WeakPolarHBondContact O-CB 3.42Å; N541-F544 PolarHBondContact O-N 3.34Å; R542-F544 VanDerWaalsContact C-N 3.32Å; F544-T546 PolarHBondContact O-N 2.91Å; F544-A547 PolarHBondContact O-N 3.32Å; F544-S548 PolarHBondContact O-N 2.93Å; F544-S548 PolarHBondContact O-OG 3.36Å
545	E	40.9	Very low	39.7	Very low	136 Å²	136	99.5 Å²	99.5	64%	0.636	57%	0.567	S	S	*	*	H	α-helix	trans	-66.9	-35.3	-179.6	-73.5	-177.8	161.2	0	0	113.5	N541 S548 S549	N541-E545 PolarHBondContact O-N 3.49Å; N541-E545 VanDerWaalsContact O-N 3.07Å; E545-S548 WeakPolarHBondContact CA-OG 2.92Å; E545-S548 PolarHBondContact O-OG 3.14Å; E545-S549 PolarHBondContact O-N 3.35Å; E545-S549 PolarHBondContact O-OG 3.23Å
546	T	40.9	Very low	38.8	Very low	91 Å²	91	102.6 Å²	102.6	56%	0.558	58%	0.584	S	S	*	*	H	α-helix	trans	-72.2	-32	176.7	43.1	0	0	0	0	112.5	R542 T543 F544 S549 S550	R542-T546 PolarHBondContact O-N 3.35Å; R542-T546 PolarHBondContact O-OG1 3.06Å; T543-T546 PolarHBondContact O-OG1 3.4Å; F544-T546 PolarHBondContact O-N 2.91Å; T546-S549 PolarHBondContact O-OG 3.11Å; T546-S550 PolarHBondContact O-OG 3.3Å
547	A	38.7	Very low	38.3	Very low	59 Å²	59	102.9 Å²	102.9	49%	0.488	60%	0.599	S	S	.	*	H	α-helix	trans	-70.8	-35.6	174.4	0	0	0	0	0	112.7	T543 F544 S550	T543-A547 PolarHBondContact O-N 3.08Å; F544-A547 PolarHBondContact O-N 3.32Å; A547-S550 PolarHBondContact O-OG 3.02Å; A547-S550 VanDerWaalsContact O-OG 3.12Å
548	S	39.1	Very low	37.6	Very low	71 Å²	71	104.6 Å²	104.6	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-75.9	-24.4	178.5	48.2	0	0	0	0	114.7	F544 E545 S551	F544-S548 PolarHBondContact O-N 2.93Å; F544-S548 PolarHBondContact O-OG 3.36Å; E545-S548 WeakPolarHBondContact CA-OG 2.92Å; E545-S548 PolarHBondContact O-OG 3.14Å; S548-S551 PolarHBondContact O-OG 2.93Å
549	S	35.8	Very low	36.7	Very low	84 Å²	84	105.6 Å²	105.6	59%	0.587	63%	0.633	S	S	*	*	H	α-helix	trans	-85	-20.5	179.3	47.6	0	0	0	0	113.3	E545 T546	E545-S549 PolarHBondContact O-N 3.35Å; E545-S549 PolarHBondContact O-OG 3.23Å; T546-S549 PolarHBondContact O-OG 3.11Å
550	S	36.6	Very low	35.9	Very low	91 Å²	91	113.4 Å²	113.4	64%	0.636	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-84	-10	176.6	51.6	0	0	0	0	115.4	T546 A547	T546-S550 PolarHBondContact O-OG 3.3Å; A547-S550 PolarHBondContact O-OG 3.02Å; A547-S550 VanDerWaalsContact O-OG 3.12Å
551	S	36.7	Very low	35	Very low	94 Å²	94	114.7 Å²	114.7	66%	0.657	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-89.5	4.5	179.3	54.9	0	0	0	0	114.9	S548	S548-S551 PolarHBondContact O-OG 2.93Å
552	L	30.8	Very low	34	Very low	150 Å²	150	119.4 Å²	119.4	79%	0.785	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-105.4	10.9	-177.3	-98.9	151.5	0	0	0	114.6
553	R	26.8	Very low	33.3	Very low	230 Å²	230	117.9 Å²	117.9	87%	0.868	69%	0.689	S	S	*	*	S	Bend	trans	-138.8	69.4	175.5	-71.4	-172.4	179.8	-167.5	0.3	111.2
554	C	27.7	Very low	32.7	Very low	132 Å²	132	121.1 Å²	121.1	89%	0.892	70%	0.701	S	S	*	*	S	Bend	trans	177.3	92.6	156.1	-98.2	0	0	0	0	108.6
555	A	30.8	Very low	32.1	Very low	101 Å²	101	123.9 Å²	123.9	84%	0.835	71%	0.713	S	S	*	*			trans	155.8	73.5	143.6	0	0	0	0	0	110.8
556	D	24.6	Very low	32	Very low	173 Å²	173	125.7 Å²	125.7	93%	0.925	72%	0.721	S	S	*	*			trans	-82.8	117.1	142.1	-89.3	-38.2	0	0	0	106.6
557	A	29.2	Very low	31.9	Very low	91 Å²	91	131.6 Å²	131.6	75%	0.752	76%	0.757	S	S	*	*			trans	156.4	124.2	138.4	0	0	0	0	0	113
558	S	31.6	Very low	31.5	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	77%	0.771	S	S	*	*			trans	73.8	86.7	153.6	55.6	0	0	0	0	120.6
559	A	27.7	Very low	31.1	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	79%	0.785	S	S	*	*				51.6	111.4	112.8	0	0	0	0	0	120.4
560	F	28.1	Very low	30.9	Very low	216 Å²	216	141.7 Å²	141.7	95%	0.947	80%	0.796	S	S	*	*				-149	151	120.5	-115.2	-83.7	0	0	0	110
561	S	26.8	Very low	30.6	Very low	88 Å²	88	144.6 Å²	144.6	62%	0.615	81%	0.806	S	S	*	*			trans	-108.9	171.3	-152.3	56.1	0	0	0	0	114.5
562	F	28.8	Very low	30.2	Very low	181 Å²	181	147.8 Å²	147.8	79%	0.794	82%	0.815	S	S	*	*			trans	80.4	107.7	164.7	-83.9	-96.8	0	0	0	118.1
563	D	30.4	Very low	30.1	Very low	119 Å²	119	147.7 Å²	147.7	64%	0.636	82%	0.817	S	S	*	*				73.7	132.4	83.8	-129.7	11	0	0	0	111
564	Q	31.1	Very low	30.4	Very low	119 Å²	119	141.8 Å²	141.8	56%	0.556	81%	0.813	S	S	*	*			cis	-174.6	149.1	19.7	-156.1	172.4	84.1	0	0	108.2
565	K	31.2	Very low	30.6	Very low	167 Å²	167	142.5 Å²	142.5	73%	0.726	81%	0.807	S	S	*	*			trans	50	132.4	154.4	-70.3	161.9	-168	160.6	0	118
566	Q	37.9	Very low	30.6	Very low	175 Å²	175	146 Å²	146	82%	0.818	81%	0.805	S	S	*	*				175.7	145.4	58.7	-142.1	171.2	5	0	0	108.4
567	T	39.5	Very low	31.1	Very low	215 Å²	215	143.5 Å²	143.5	100%	1.319	79%	0.794	S	S	*	*			trans	71.1	0	168.4	26.3	0	0	0	0	120.2

Retrieved 567 of 567 residues in 342.8 ms (Link to these results)

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