A0A3Q0KFQ6_SCHMA Loading...

Tyrosinase copper-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KFQ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 481 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	43.9	Very low	46.4	Very low	214 Å²	214	132 Å²	132	100%	1.054	66%	0.661	S	S	*	*				0	10.1	0	-76	171.7	69	0	0	114.7
2	I	46.3	Very low	45.7	Very low	156 Å²	156	134.5 Å²	134.5	80%	0.8	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-6.4	-171.5	-63.8	173.7	0	0	0	113.9
3	K	46.6	Very low	45.3	Very low	200 Å²	200	135.3 Å²	135.3	87%	0.87	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-12.5	-178.4	-74	-171.6	175.3	-177.4	0	115.2
4	T	51.2	Low	44.9	Very low	97 Å²	97	135.2 Å²	135.2	60%	0.595	67%	0.673	S	S	*	*	S	Bend	trans	-92.3	-23.6	-172	-23.7	0	0	0	0	113.6
5	I	50.2	Low	44.1	Very low	114 Å²	114	136.7 Å²	136.7	59%	0.585	67%	0.674	S	S	*	*	H	α-helix	trans	-77	-31.7	-173.4	-62.2	175.4	0	0	0	111.8	F7 L8 Y9	I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.12Å; I5-L8 PolarHBondContact O-N 3.38Å; I5-Y9 PolarHBondContact O-N 2.72Å
6	T	49.8	Very low	43.4	Very low	101 Å²	101	135.8 Å²	135.8	62%	0.62	67%	0.673	S	S	*	*	H	α-helix	trans	-71.6	-29.5	-179.5	-21.9	0	0	0	0	112.4	Y9	T6-Y9 PolarHBondContact O-N 3.39Å
7	F	48	Very low	42.8	Very low	148 Å²	148	138.8 Å²	138.8	65%	0.649	69%	0.685	S	S	*	*	H	α-helix	trans	-73.5	-32.5	178.8	-156.6	-107.7	0	0	0	112.2	I5 C10 I11	I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.12Å; F7-C10 PolarHBondContact O-N 2.91Å; F7-I11 HydrophobicContact CD1-CD1 3.6Å; F7-I11 HydrophobicContact CD1-CG1 4.45Å; F7-I11 HydrophobicContact CE1-CD1 3.51Å; F7-I11 HydrophobicContact CE1-CG1 4.4Å; F7-I11 HydrophobicContact CZ-CD1 4.43Å; F7-I11 WeakPolarHBondContact O-CG1 3.39Å; F7-I11 PolarHBondContact O-N 3.31Å
8	L	45.2	Very low	42.1	Very low	96 Å²	96	140.4 Å²	140.4	50%	0.503	69%	0.687	S	S	.	*	H	α-helix	trans	-67.9	-33	175	-88.2	149	0	0	0	112.8	I5 I11 F12	I5-L8 PolarHBondContact O-N 3.38Å; L8-I11 PolarHBondContact O-N 3.3Å; L8-F12 PolarHBondContact O-N 2.71Å; L8-F12 VanDerWaalsContact O-N 3.08Å
9	Y	45.5	Very low	41.4	Very low	176 Å²	176	141.2 Å²	141.2	69%	0.69	69%	0.693	S	S	*	*	H	α-helix	trans	-71.1	-30.4	175.8	-99.9	-86.7	0	0	0	113.3	I5 T6	I5-Y9 PolarHBondContact O-N 2.72Å; T6-Y9 PolarHBondContact O-N 3.39Å
10	C	43.2	Very low	40.7	Very low	82 Å²	82	139.9 Å²	139.9	55%	0.554	69%	0.689	S	S	*	*	H	α-helix	trans	-76.5	-30.1	174.5	-69.3	0	0	0	0	112.7	F7	F7-C10 PolarHBondContact O-N 2.91Å
11	I	40.7	Very low	40.1	Very low	68 Å²	68	138.6 Å²	138.6	35%	0.349	68%	0.684	S	S	.	*	H	α-helix	trans	-77.4	-33.2	177.5	-68.4	175.3	0	0	0	111.7	F7 L8 I13 L14 F15	F7-I11 HydrophobicContact CD1-CD1 3.6Å; F7-I11 HydrophobicContact CD1-CG1 4.45Å; F7-I11 HydrophobicContact CE1-CD1 3.51Å; F7-I11 HydrophobicContact CE1-CG1 4.4Å; F7-I11 HydrophobicContact CZ-CD1 4.43Å; F7-I11 WeakPolarHBondContact O-CG1 3.39Å; F7-I11 PolarHBondContact O-N 3.31Å; L8-I11 PolarHBondContact O-N 3.3Å; I11-I13 PolarHBondContact O-N 3.03Å; I11-L14 PolarHBondContact O-N 2.98Å; I11-F15 HydrophobicContact CG2-CD2 3.77Å; I11-F15 HydrophobicContact CG2-CE2 4.3Å; I11-F15 PolarHBondContact O-N 3.49Å
12	F	37.7	Very low	39.7	Very low	162 Å²	162	132.2 Å²	132.2	71%	0.711	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-14.9	176.6	-104.9	-84.6	0	0	0	114.4	L8	L8-F12 PolarHBondContact O-N 2.71Å; L8-F12 VanDerWaalsContact O-N 3.08Å
13	I	40.8	Very low	39.9	Very low	145 Å²	145	124.8 Å²	124.8	74%	0.744	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-13.5	172.8	-61.1	178.9	0	0	0	111.7	I11	I11-I13 PolarHBondContact O-N 3.03Å
14	L	38.7	Very low	41.2	Very low	134 Å²	134	115.3 Å²	115.3	70%	0.702	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-10.6	-175.4	-75.8	167.8	0	0	0	115.6	I11	I11-L14 PolarHBondContact O-N 2.98Å
15	F	33	Very low	43	Very low	158 Å²	158	110.7 Å²	110.7	69%	0.693	54%	0.541	S	S	*	.	S	Bend	trans	-116.1	69.4	179.1	-81.2	-90	0	0	0	112.6	I11	I11-F15 HydrophobicContact CG2-CD2 3.77Å; I11-F15 HydrophobicContact CG2-CE2 4.3Å; I11-F15 PolarHBondContact O-N 3.49Å
16	N	32.6	Very low	45	Very low	121 Å²	121	105.3 Å²	105.3	65%	0.647	51%	0.514	S	S	*	.			trans	-160.4	34.1	153.3	-103.5	-58.7	0	0	0	112.2	F18	N16-F18 VanDerWaalsContact C-N 3.28Å; N16-F18 PolarHBondContact O-N 3.49Å; N16-F18 WeakPolarHBondContact OD1-CD2 3.38Å; N16-F18 WeakPolarHBondContact OD1-CE2 3.26Å
17	Q	34.3	Very low	46.9	Very low	188 Å²	188	104 Å²	104	88%	0.879	50%	0.501	S	S	*	.			trans	-92.7	69	160.3	-67.7	-163.8	-8.8	0	0	108.4	I19	Q17-I19 PolarHBondContact O-N 3.2Å; Q17-I19 VanDerWaalsContact O-N 3.08Å
18	F	30.4	Very low	48.8	Very low	167 Å²	167	100.6 Å²	100.6	73%	0.732	49%	0.487	S	S	*	.			trans	-62	110.9	163.9	-80.1	-80.6	0	0	0	108.1	N16 N20	N16-F18 VanDerWaalsContact C-N 3.28Å; N16-F18 PolarHBondContact O-N 3.49Å; N16-F18 WeakPolarHBondContact OD1-CD2 3.38Å; N16-F18 WeakPolarHBondContact OD1-CE2 3.26Å; F18-N20 PolarHBondContact O-N 3.12Å; F18-N20 VanDerWaalsContact O-N 3.12Å; F18-N20 PolarHBondContact O-ND2 2.79Å
19	I	28.6	Very low	50.9	Low	156 Å²	156	96 Å²	96	80%	0.8	46%	0.463	S	S	*	.			trans	-51	110.1	173.7	-60.9	164.4	0	0	0	108.6	Q17	Q17-I19 PolarHBondContact O-N 3.2Å; Q17-I19 VanDerWaalsContact O-N 3.08Å
20	N	26.7	Very low	52.5	Low	114 Å²	114	87.7 Å²	87.7	61%	0.61	43%	0.43	S	S	*	.			trans	-141.4	127.8	168.6	-71.6	-68	0	0	0	108.7	F18	F18-N20 PolarHBondContact O-N 3.12Å; F18-N20 VanDerWaalsContact O-N 3.12Å; F18-N20 PolarHBondContact O-ND2 2.79Å
21	I	27.4	Very low	53.6	Low	114 Å²	114	88.5 Å²	88.5	59%	0.585	42%	0.423	S	S	*	.			trans	-94.3	118.6	-159.7	-57.9	157.8	0	0	0	111.8
22	Y	35.9	Very low	55	Low	80 Å²	80	85.5 Å²	85.5	31%	0.314	41%	0.407	S	S	.	.			trans	-154.6	0	174	-75.3	-54	0	0	0	116.9	G30 Y31 L150 L168 E169	Y22-G30 WeakPolarHBondContact CD1-O 3.07Å; Y22-G30 VanDerWaalsContact CE1-O 3.25Å; Y22-G30 WeakPolarHBondContact CE1-O 3.28Å; Y22-G30 VanDerWaalsContact CG-C 3.48Å; Y22-G30 VanDerWaalsContact CG-CA 3.46Å; Y22-Y31 VanDerWaalsContact CD1-N 3.33Å; Y22-Y31 VanDerWaalsContact CZ-CA 3.41Å; Y22-L150 VanDerWaalsContact CB-CD1 3.43Å; Y22-L150 WeakPolarHBondContact O-CB 3.44Å; Y22-L150 WeakPolarHBondContact O-CD2 3.41Å; Y22-L150 WeakPolarHBondContact O-CG 3.02Å; Y22-L168 HydrophobicContact CD1-CD1 3.56Å; Y22-L168 HydrophobicContact CE1-CD1 4.3Å; Y22-L168 HydrophobicContact CG-CD1 4.45Å; Y22-L168 CarbonylContact O-C 3.51Å; Y22-L168 VanDerWaalsContact O-C 3.27Å; Y22-L168 WeakPolarHBondContact O-CB 3.3Å; Y22-E169 CarbonylContact O-C 3.35Å; Y22-E169 PolarHBondContact O-N 3.09Å; Y22-E169 VanDerWaalsContact O-N 3.09Å
23	G	50.6	Low	56.5	Low	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.377	C	S	.	.				0	-163.3	0	0	0	0	0	0	123	I25 L150 L151	G23-I25 CarbonylContact O-C 3.27Å; G23-I25 VanDerWaalsContact O-C 3.32Å; G23-I25 WeakPolarHBondContact O-CA 3.49Å; G23-I25 WeakPolarHBondContact O-CB 3.46Å; G23-I25 PolarHBondContact O-N 2.84Å; G23-L150 VanDerWaalsContact C-CA 3.41Å; G23-L150 VanDerWaalsContact C-CB 3.49Å; G23-L150 CarbonylContact C-O 3.43Å; G23-L150 VanDerWaalsContact CA-C 3.45Å; G23-L150 VanDerWaalsContact N-CB 3.3Å; G23-L150 VanDerWaalsContact N-CD1 3.29Å; G23-L150 CarbonylContact O-C 3.55Å; G23-L150 WeakPolarHBondContact O-CA 3.44Å; G23-L150 WeakPolarHBondContact O-CB 3.46Å; G23-L150 WeakPolarHBondContact O-CD1 3.5Å; G23-L150 PolarHBondContact O-N 2.88Å; G23-L150 VanDerWaalsContact O-O 3.12Å; G23-L151 VanDerWaalsContact CA-O 3.25Å; G23-L151 WeakPolarHBondContact CA-O 3.37Å
24	M	74.4	Confident	57.7	Low	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.37	C	S	.	.	S	Bend	trans	-49.2	-17.3	-176.7	69.8	176.9	171.1	0	0	116.4	W81 Y85 Y149 L150 L151 V152 Y179 Y183	M24-W81 HydrophobicContact CE-CH2 3.45Å; M24-W81 VanDerWaalsContact CE-CH2 3.45Å; M24-W81 HydrophobicContact CE-CZ3 3.42Å; M24-W81 VanDerWaalsContact CE-CZ3 3.42Å; M24-W81 HydrophobicContact SD-CH2 3.79Å; M24-W81 HydrophobicContact SD-CZ3 4.15Å; M24-Y85 HydrophobicContact CE-CD1 3.57Å; M24-Y85 HydrophobicContact CE-CD2 3.72Å; M24-Y85 HydrophobicContact CE-CE1 3.22Å; M24-Y85 HydrophobicContact CE-CE2 3.41Å; M24-Y85 VanDerWaalsContact CE-CE2 3.41Å; M24-Y85 HydrophobicContact CE-CG 3.79Å; M24-Y149 WeakPolarHBondContact O-CD1 3.25Å; M24-L150 WeakPolarHBondContact CA-O 3.22Å; M24-L150 PolarHBondContact N-O 2.86Å; M24-L151 VanDerWaalsContact N-CA 3.25Å; M24-V152 HydrophobicContact CE-CG2 4.27Å; M24-V152 HydrophobicContact CG-CG2 4.29Å; M24-Y179 HydrophobicContact CB-CE1 4.33Å; M24-Y179 HydrophobicContact SD-CE1 4.49Å; M24-Y183 HydrophobicContact CE-CE2 4.48Å; M24-Y183 HydrophobicContact SD-CE1 4.36Å; M24-Y183 HydrophobicContact SD-CE2 4.11Å
25	I	88.9	Confident	59.1	Low	0 Å²	0	76.5 Å²	76.5	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-46.9	139	159.2	-42.2	-52.6	0	0	0	110.9	G23 E27 C29 L33 Y85 F86 L150	G23-I25 CarbonylContact O-C 3.27Å; G23-I25 VanDerWaalsContact O-C 3.32Å; G23-I25 WeakPolarHBondContact O-CA 3.49Å; G23-I25 WeakPolarHBondContact O-CB 3.46Å; G23-I25 PolarHBondContact O-N 2.84Å; I25-E27 PolarHBondContact O-N 3.32Å; I25-C29 HydrophobicContact CG2-CB 3.3Å; I25-L33 HydrophobicContact CD1-CD1 3.97Å; I25-L33 HydrophobicContact CD1-CD2 3.89Å; I25-L33 HydrophobicContact CD1-CG 4.34Å; I25-L33 HydrophobicContact CG1-CD1 3.64Å; I25-L33 HydrophobicContact CG1-CD2 4.33Å; I25-L33 HydrophobicContact CG1-CG 4.23Å; I25-Y85 HydrophobicContact CD1-CD1 3.99Å; I25-Y85 HydrophobicContact CD1-CG 4.47Å; I25-F86 HydrophobicContact CB-CZ 4.49Å; I25-F86 HydrophobicContact CD1-CE2 3.67Å; I25-F86 HydrophobicContact CD1-CZ 3.7Å; I25-F86 HydrophobicContact CG1-CZ 4.34Å; I25-F86 HydrophobicContact CG2-CE2 4.18Å; I25-F86 HydrophobicContact CG2-CZ 3.53Å; I25-L150 PolarHBondContact O-N 3.14Å
26	P	91.5	Very high	61	Low	1 Å²	1	81.3 Å²	81.3	1%	0.006	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-50.8	139.9	161.5	-23	31.9	0	0	0	109.8	Q28 C29 Y149 I433	P26-Q28 PolarHBondContact O-N 2.79Å; P26-C29 PolarHBondContact O-N 2.8Å; P26-Y149 HydrophobicContact CG-CD1 4.44Å; P26-Y149 HydrophobicContact CG-CE1 4.11Å; P26-I433 HydrophobicContact CG-CB 4.32Å; P26-I433 HydrophobicContact CG-CG2 3.47Å; P26-I433 VanDerWaalsContact CG-CG2 3.47Å
27	E	90.4	Very high	63.3	Low	74 Å²	74	80.1 Å²	80.1	35%	0.346	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-48.7	-35.3	-179.1	-79.4	174.5	173.2	0	0	113.5	I25 C29 G148 L150 H170	I25-E27 PolarHBondContact O-N 3.32Å; E27-C29 PolarHBondContact O-N 3.29Å; E27-C29 VanDerWaalsContact O-N 3.15Å; E27-G148 WeakPolarHBondContact CG-O 3.08Å; E27-G148 PolarHBondContact N-O 3.41Å; E27-L150 VanDerWaalsContact CA-CD1 3.49Å; E27-L150 HydrophobicContact CB-CD1 4.06Å; E27-L150 HydrophobicContact CG-CD1 3.47Å; E27-L150 VanDerWaalsContact CG-CD1 3.47Å; E27-L150 HydrophobicContact CG-CD2 3.91Å; E27-L150 HydrophobicContact CG-CG 3.62Å; E27-H170 IonicContact OE1-CE1 2.92Å; E27-H170 PolarHBondContact OE1-CE1 3.39Å; E27-H170 IonicContact OE1-ND1 2.81Å; E27-H170 PolarHBondContact OE1-ND1 3.07Å
28	Q	89	Confident	65.8	Low	77 Å²	77	72.2 Å²	72.2	36%	0.36	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-71.3	-2.6	178.4	-46.4	94.1	-37.2	0	0	115	P26 Y31 P42	P26-Q28 PolarHBondContact O-N 2.79Å; Q28-Y31 WeakPolarHBondContact O-CE1 3.36Å; Q28-P42 HydrophobicContact CB-CB 3.58Å; Q28-P42 HydrophobicContact CB-CG 4.22Å; Q28-P42 HydrophobicContact CG-CB 4.44Å
29	C	89.5	Confident	68.8	Low	0 Å²	0	66 Å²	66	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-121.5	-10	-176.4	-70.2	0	0	0	0	114	I25 P26 E27 Y31 N32 C40 F86	I25-C29 HydrophobicContact CG2-CB 3.3Å; P26-C29 PolarHBondContact O-N 2.8Å; E27-C29 PolarHBondContact O-N 3.29Å; E27-C29 VanDerWaalsContact O-N 3.15Å; C29-Y31 VanDerWaalsContact C-N 3.35Å; C29-Y31 PolarHBondContact O-N 3.31Å; C29-N32 PolarHBondContact O-N 2.91Å; C29-C40 HydrophobicContact CB-CB 3.63Å; C29-C40 WeakPolarHBondContact CB-SG 2.96Å; C29-C40 WeakPolarHBondContact SG-CA 3.49Å; C29-C40 WeakPolarHBondContact SG-CB 3.08Å; C29-C40 CovalentContact SG-SG 2.02Å; C29-C40 PolarHBondContact SG-SG 3.1Å; C29-F86 HydrophobicContact CB-CE1 4.33Å; C29-F86 HydrophobicContact CB-CZ 4.03Å
30	G	79	Confident	71.8	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.01	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-62.7	-38.9	-174.1	0	0	0	0	0	114.1	Y22 N32 L33	Y22-G30 WeakPolarHBondContact CD1-O 3.07Å; Y22-G30 VanDerWaalsContact CE1-O 3.25Å; Y22-G30 WeakPolarHBondContact CE1-O 3.28Å; Y22-G30 VanDerWaalsContact CG-C 3.48Å; Y22-G30 VanDerWaalsContact CG-CA 3.46Å; G30-N32 PolarHBondContact O-N 3.06Å; G30-L33 PolarHBondContact O-N 3.37Å
31	Y	65.9	Low	75	Confident	99 Å²	99	53.8 Å²	53.8	39%	0.388	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-63.9	-11.8	-177.5	68.6	-93	0	0	0	114.3	Y22 Q28 C29	Y22-Y31 VanDerWaalsContact CD1-N 3.33Å; Y22-Y31 VanDerWaalsContact CZ-CA 3.41Å; Q28-Y31 WeakPolarHBondContact O-CE1 3.36Å; C29-Y31 VanDerWaalsContact C-N 3.35Å; C29-Y31 PolarHBondContact O-N 3.31Å
32	N	68.8	Low	78.2	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-96.4	-6.3	-177.5	-73.8	-36.5	0	0	0	114.2	C29 G30 T34 R35 P38 V39	C29-N32 PolarHBondContact O-N 2.91Å; G30-N32 PolarHBondContact O-N 3.06Å; N32-T34 VanDerWaalsContact C-N 3.3Å; N32-T34 PolarHBondContact O-N 3.24Å; N32-R35 PolarHBondContact O-N 3.02Å; N32-R35 VanDerWaalsContact OD1-CD 3.26Å; N32-R35 WeakPolarHBondContact OD1-CD 3.35Å; N32-R35 PolarHBondContact OD1-NE 3.07Å; N32-R35 PolarHBondContact OD1-NH1 3.3Å; N32-P38 WeakPolarHBondContact O-CA 3.02Å; N32-V39 WeakPolarHBondContact CB-O 3.41Å; N32-V39 PolarHBondContact ND2-O 3.37Å
33	L	69.6	Low	81	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.079	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.7	-173.1	-76.4	-177.9	0	0	0	114.2	I25 G30 Y85 F86 P166 L168	I25-L33 HydrophobicContact CD1-CD1 3.97Å; I25-L33 HydrophobicContact CD1-CD2 3.89Å; I25-L33 HydrophobicContact CD1-CG 4.34Å; I25-L33 HydrophobicContact CG1-CD1 3.64Å; I25-L33 HydrophobicContact CG1-CD2 4.33Å; I25-L33 HydrophobicContact CG1-CG 4.23Å; G30-L33 PolarHBondContact O-N 3.37Å; L33-Y85 HydrophobicContact CD2-CD1 3.92Å; L33-Y85 HydrophobicContact CD2-CG 4.46Å; L33-Y85 WeakPolarHBondContact CD2-O 3.05Å; L33-F86 HydrophobicContact CD2-CE1 3.73Å; L33-F86 HydrophobicContact CD2-CE2 4.42Å; L33-F86 HydrophobicContact CD2-CZ 3.67Å; L33-F86 HydrophobicContact CG-CZ 4.47Å; L33-P166 HydrophobicContact CB-CG 4.33Å; L33-P166 HydrophobicContact CD1-CG 4.1Å; L33-L168 HydrophobicContact CD1-CD1 3.83Å; L33-L168 HydrophobicContact CD1-CD2 3.95Å
34	T	66.2	Low	83.1	Confident	96 Å²	96	50 Å²	50	59%	0.589	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	2.9	-177.7	55.1	0	0	0	0	113.9	N32 E165	N32-T34 VanDerWaalsContact C-N 3.3Å; N32-T34 PolarHBondContact O-N 3.24Å; T34-E165 HydrophobicContact CG2-CG 4.44Å
35	R	68.7	Low	84	Confident	142 Å²	142	56.4 Å²	56.4	54%	0.536	27%	0.266	S	S	.	.	S	Bend	trans	-71.6	153.7	178.2	-68	-173.2	173.7	-176.1	-0.2	110.8	N32 I37 P38	N32-R35 PolarHBondContact O-N 3.02Å; N32-R35 VanDerWaalsContact OD1-CD 3.26Å; N32-R35 WeakPolarHBondContact OD1-CD 3.35Å; N32-R35 PolarHBondContact OD1-NE 3.07Å; N32-R35 PolarHBondContact OD1-NH1 3.3Å; R35-I37 PolarHBondContact O-N 3.1Å; R35-I37 VanDerWaalsContact O-N 3.12Å; R35-P38 WeakPolarHBondContact O-CD 3.43Å
36	R	72.8	Confident	84.1	Confident	259 Å²	259	58.7 Å²	58.7	98%	0.977	28%	0.277	S	S	*	.	S	Bend	trans	-52.1	-36.1	174.9	-73.7	-172.4	-179.9	177.1	0.7	112.9
37	I	81.8	Confident	84.3	Confident	95 Å²	95	61.8 Å²	61.8	49%	0.487	29%	0.293	S	S	.	.	S	Bend	trans	-125.7	102.2	170.5	-57.7	175.7	0	0	0	106.5	R35 V39 T87 Y88	R35-I37 PolarHBondContact O-N 3.1Å; R35-I37 VanDerWaalsContact O-N 3.12Å; I37-V39 HydrophobicContact CG2-CG2 4.36Å; I37-V39 PolarHBondContact O-N 2.89Å; I37-T87 HydrophobicContact CG2-CG2 4.03Å; I37-Y88 HydrophobicContact CG2-CD2 3.92Å; I37-Y88 HydrophobicContact CG2-CE2 3.82Å
38	P	86.6	Confident	84.6	Confident	22 Å²	22	60.7 Å²	60.7	14%	0.143	30%	0.302	C	S	.	.			trans	-67.5	131.3	178.1	-24.5	36.1	0	0	0	111.8	N32 R35 Y85 F86 T87 Y88	N32-P38 WeakPolarHBondContact O-CA 3.02Å; R35-P38 WeakPolarHBondContact O-CD 3.43Å; P38-Y85 WeakPolarHBondContact CB-O 3.33Å; P38-F86 HydrophobicContact CB-CD1 4.3Å; P38-T87 PolarHBondContact O-N 2.77Å; P38-Y88 PolarHBondContact O-N 2.65Å
39	V	91.8	Very high	84.9	Confident	37 Å²	37	61.6 Å²	61.6	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.8	-176.4	175.3	0	0	0	0	109.9	N32 I37 C41 Y88	N32-V39 WeakPolarHBondContact CB-O 3.41Å; N32-V39 PolarHBondContact ND2-O 3.37Å; I37-V39 HydrophobicContact CG2-CG2 4.36Å; I37-V39 PolarHBondContact O-N 2.89Å; V39-C41 HydrophobicContact CG1-CB 3.77Å; V39-Y88 HydrophobicContact CG2-CD2 4.01Å; V39-Y88 HydrophobicContact CG2-CG 4.36Å
40	C	92.8	Very high	85.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	77.5	168	178	0	0	0	0	109.4	C29 P42 F86 Y88 F89 C90	C29-C40 HydrophobicContact CB-CB 3.63Å; C29-C40 WeakPolarHBondContact CB-SG 2.96Å; C29-C40 WeakPolarHBondContact SG-CA 3.49Å; C29-C40 WeakPolarHBondContact SG-CB 3.08Å; C29-C40 CovalentContact SG-SG 2.02Å; C29-C40 PolarHBondContact SG-SG 3.1Å; C40-P42 VanDerWaalsContact C-CD 3.47Å; C40-F86 HydrophobicContact CB-CD1 3.54Å; C40-F86 HydrophobicContact CB-CD2 3.98Å; C40-F86 HydrophobicContact CB-CE1 3.59Å; C40-F86 HydrophobicContact CB-CE2 4Å; C40-F86 HydrophobicContact CB-CG 3.76Å; C40-F86 HydrophobicContact CB-CZ 3.82Å; C40-Y88 PolarHBondContact N-O 3Å; C40-F89 HydrophobicContact CB-CD2 3.62Å; C40-F89 HydrophobicContact CB-CE2 3.8Å; C40-F89 WeakPolarHBondContact O-CA 3.43Å; C40-F89 WeakPolarHBondContact SG-CE2 3.01Å; C40-C90 PolarHBondContact O-N 3.1Å
41	C	94.6	Very high	86.1	Confident	13 Å²	13	65.1 Å²	65.1	9%	0.088	33%	0.327	C	S	.	.			trans	-128.6	71	175.9	-63.7	0	0	0	0	110	V39 V50 C59 F89 C90	V39-C41 HydrophobicContact CG1-CB 3.77Å; C41-V50 HydrophobicContact CB-CG1 3.82Å; C41-C59 HydrophobicContact CB-CB 3.61Å; C41-C59 WeakPolarHBondContact CB-SG 3Å; C41-C59 VanDerWaalsContact SG-CA 3.52Å; C41-C59 WeakPolarHBondContact SG-CB 3.12Å; C41-C59 CovalentContact SG-SG 2.03Å; C41-C59 PolarHBondContact SG-SG 3.47Å; C41-F89 VanDerWaalsContact SG-C 3.58Å; C41-C90 VanDerWaalsContact CA-SG 3.54Å
42	P	93.8	Very high	87.6	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.026	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68	161.5	-176	27.9	-34.7	0	0	0	112.5	Q28 C40 C51 S99 A100	Q28-P42 HydrophobicContact CB-CB 3.58Å; Q28-P42 HydrophobicContact CB-CG 4.22Å; Q28-P42 HydrophobicContact CG-CB 4.44Å; C40-P42 VanDerWaalsContact C-CD 3.47Å; P42-C51 PolarHBondContact O-N 3.16Å; P42-S99 VanDerWaalsContact CD-O 3.23Å; P42-S99 WeakPolarHBondContact CD-O 3.28Å; P42-S99 VanDerWaalsContact CG-O 3.25Å; P42-S99 WeakPolarHBondContact CG-O 3.31Å; P42-A100 HydrophobicContact CB-CB 4.2Å; P42-A100 HydrophobicContact CG-CB 3.66Å
43	I	94.9	Very high	88.9	Confident	108 Å²	108	60.7 Å²	60.7	55%	0.554	31%	0.313	S	S	*	.	B	Isolated β-bridge	trans	-73.5	130.8	172.3	-68.3	169.1	0	0	0	108.9	G48 V50	I43-G48 VanDerWaalsContact CG2-CA 3.5Å; I43-G48 VanDerWaalsContact CG2-O 3.29Å; I43-G48 WeakPolarHBondContact CG2-O 3.36Å; I43-V50 HydrophobicContact CG1-CG2 4.41Å
44	S	94.7	Very high	90.1	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.014	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-73.5	136.7	178.3	177.5	0	0	0	0	111.9	I46 G48 E49 A100 D102	S44-I46 PolarHBondContact O-N 2.83Å; S44-I46 WeakPolarHBondContact OG-CB 3.22Å; S44-I46 PolarHBondContact OG-N 3.02Å; S44-I46 VanDerWaalsContact OG-N 3.14Å; S44-G48 WeakPolarHBondContact O-CA 3.2Å; S44-G48 PolarHBondContact O-N 2.88Å; S44-E49 WeakPolarHBondContact CB-O 3.42Å; S44-E49 PolarHBondContact N-O 3.46Å; S44-A100 WeakPolarHBondContact CB-O 3.35Å; S44-D102 WeakPolarHBondContact OG-CB 3.22Å
45	N	92.4	Very high	91.5	Very high	136 Å²	136	67.3 Å²	67.3	73%	0.727	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-8.7	172.5	-65	-55.7	0	0	0	113.4	D102	N45-D102 PolarHBondContact N-OD2 3.49Å; N45-D102 PolarHBondContact ND2-OD2 3.05Å
46	I	92.4	Very high	92.8	Very high	48 Å²	48	61.4 Å²	61.4	25%	0.246	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-44.3	-179.5	-64	179.3	0	0	0	111.5	S44 Y56 Y96 D102	S44-I46 PolarHBondContact O-N 2.83Å; S44-I46 WeakPolarHBondContact OG-CB 3.22Å; S44-I46 PolarHBondContact OG-N 3.02Å; S44-I46 VanDerWaalsContact OG-N 3.14Å; I46-Y56 HydrophobicContact CD1-CD1 3.75Å; I46-Y56 HydrophobicContact CD1-CE1 3.6Å; I46-Y56 HydrophobicContact CG2-CE1 3.9Å; I46-Y56 HydrophobicContact CG2-CE2 4.47Å; I46-Y96 HydrophobicContact CD1-CE1 4.48Å; I46-D102 HydrophobicContact CD1-CB 4.11Å; I46-D102 HydrophobicContact CG1-CB 3.92Å
47	N	95	Very high	93.9	Very high	65 Å²	65	49.1 Å²	49.1	35%	0.348	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	0.2	-169.2	62.6	-3.4	0	0	0	114.7	E49 G52	N47-E49 VanDerWaalsContact C-N 3.31Å; N47-E49 PolarHBondContact ND2-OE2 3.26Å; N47-E49 PolarHBondContact O-N 3.32Å; N47-E49 PolarHBondContact OD1-N 2.97Å; N47-E49 VanDerWaalsContact OD1-N 3.13Å; N47-G52 PolarHBondContact ND2-O 2.03Å; N47-G52 WeakPolarHBondContact OD1-CA 3.4Å
48	G	95.6	Very high	94.7	Very high	51 Å²	51	50.4 Å²	50.4	53%	0.526	28%	0.278	S	S	.	.	S	Bend	trans	77.2	12.7	-179.1	0	0	0	0	0	114.6	I43 S44	I43-G48 VanDerWaalsContact CG2-CA 3.5Å; I43-G48 VanDerWaalsContact CG2-O 3.29Å; I43-G48 WeakPolarHBondContact CG2-O 3.36Å; S44-G48 WeakPolarHBondContact O-CA 3.2Å; S44-G48 PolarHBondContact O-N 2.88Å
49	E	97.2	Very high	95.2	Very high	96 Å²	96	51.3 Å²	51.3	45%	0.449	29%	0.285	S	S	.	.	S	Bend	trans	-100	150.6	177.8	-60.7	-174.4	134.8	0	0	112.3	S44 N47 C51 G52 G53	S44-E49 WeakPolarHBondContact CB-O 3.42Å; S44-E49 PolarHBondContact N-O 3.46Å; N47-E49 VanDerWaalsContact C-N 3.31Å; N47-E49 PolarHBondContact ND2-OE2 3.26Å; N47-E49 PolarHBondContact O-N 3.32Å; N47-E49 PolarHBondContact OD1-N 2.97Å; N47-E49 VanDerWaalsContact OD1-N 3.13Å; E49-C51 PolarHBondContact O-N 3.15Å; E49-G52 PolarHBondContact O-N 3.48Å; E49-G53 WeakPolarHBondContact OE2-CA 3.29Å
50	V	96.9	Very high	95.4	Very high	75 Å²	75	52.2 Å²	52.2	46%	0.455	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-59.1	124.3	174.3	172.5	0	0	0	0	109.9	C41 I43 G52 G53 C59	C41-V50 HydrophobicContact CB-CG1 3.82Å; I43-V50 HydrophobicContact CG1-CG2 4.41Å; V50-G52 PolarHBondContact O-N 2.87Å; V50-G52 VanDerWaalsContact O-N 3.09Å; V50-G53 PolarHBondContact O-N 2.95Å; V50-C59 HydrophobicContact CG1-CB 4.14Å
51	C	96.6	Very high	95.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	23.4	-173.6	-49.6	0	0	0	0	114	P42 E49 G53 G57 C59 C90 A100 C101	P42-C51 PolarHBondContact O-N 3.16Å; E49-C51 PolarHBondContact O-N 3.15Å; C51-G53 PolarHBondContact O-N 3.36Å; C51-G57 WeakPolarHBondContact O-CA 3.18Å; C51-G57 PolarHBondContact O-N 3.06Å; C51-C59 PolarHBondContact SG-N 3.1Å; C51-C90 WeakPolarHBondContact CA-SG 2.91Å; C51-C90 HydrophobicContact CB-CB 3.75Å; C51-C90 WeakPolarHBondContact CB-SG 3.2Å; C51-C90 WeakPolarHBondContact SG-CA 3.43Å; C51-C90 WeakPolarHBondContact SG-CB 3.42Å; C51-C90 CovalentContact SG-SG 2.03Å; C51-C90 PolarHBondContact SG-SG 2.92Å; C51-A100 CarbonylContact C-O 3.01Å; C51-C101 WeakPolarHBondContact O-CB 3.01Å
52	G	95.6	Very high	95.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	5	-174.5	0	0	0	0	0	114.6	N47 E49 V50 Y56	N47-G52 PolarHBondContact ND2-O 2.03Å; N47-G52 WeakPolarHBondContact OD1-CA 3.4Å; E49-G52 PolarHBondContact O-N 3.48Å; V50-G52 PolarHBondContact O-N 2.87Å; V50-G52 VanDerWaalsContact O-N 3.09Å; G52-Y56 WeakPolarHBondContact O-CD2 3.22Å
53	G	96.2	Very high	95.6	Very high	10 Å²	10	65.9 Å²	65.9	10%	0.103	34%	0.344	C	S	.	.			trans	73.2	179.2	-177.8	0	0	0	0	0	113.6	E49 V50 C51 K55 Y56 G57	E49-G53 WeakPolarHBondContact OE2-CA 3.29Å; V50-G53 PolarHBondContact O-N 2.95Å; C51-G53 PolarHBondContact O-N 3.36Å; G53-K55 PolarHBondContact O-N 3.46Å; G53-Y56 PolarHBondContact O-N 3.09Å; G53-G57 CarbonylContact C-O 3.03Å; G53-G57 VanDerWaalsContact C-O 3.27Å; G53-G57 PolarHBondContact O-N 2.96Å
54	P	95.6	Very high	95.4	Very high	112 Å²	112	61.5 Å²	61.5	73%	0.727	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.9	-163.5	24.4	-35.1	0	0	0	115.1	Y93	P54-Y93 WeakPolarHBondContact O-CD2 3.27Å; P54-Y93 WeakPolarHBondContact O-CE2 3.43Å
55	K	94.7	Very high	95.2	Very high	139 Å²	139	62.1 Å²	62.1	60%	0.604	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-25.3	175.1	-178.4	174.8	179.4	-179.6	0	113.3	G53	G53-K55 PolarHBondContact O-N 3.46Å
56	Y	96.5	Very high	94.9	Very high	18 Å²	18	67.6 Å²	67.6	7%	0.071	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-37	-171.2	-62.7	-97.2	0	0	0	111.9	I46 G52 G53 C92 Y93 Y96	I46-Y56 HydrophobicContact CD1-CD1 3.75Å; I46-Y56 HydrophobicContact CD1-CE1 3.6Å; I46-Y56 HydrophobicContact CG2-CE1 3.9Å; I46-Y56 HydrophobicContact CG2-CE2 4.47Å; G52-Y56 WeakPolarHBondContact O-CD2 3.22Å; G53-Y56 PolarHBondContact O-N 3.09Å; Y56-C92 WeakPolarHBondContact O-CA 2.94Å; Y56-Y93 PolarHBondContact O-N 3.1Å; Y56-Y96 AromaticContact CD1-CD1 3.66Å; Y56-Y96 HydrophobicContact CD1-CD1 3.66Å; Y56-Y96 AromaticContact CD1-CD2 3.86Å; Y56-Y96 HydrophobicContact CD1-CD2 3.86Å; Y56-Y96 AromaticContact CD1-CE1 3.4Å; Y56-Y96 HydrophobicContact CD1-CE1 3.4Å; Y56-Y96 VanDerWaalsContact CD1-CE1 3.4Å; Y56-Y96 AromaticContact CD1-CE2 3.61Å; Y56-Y96 HydrophobicContact CD1-CE2 3.61Å; Y56-Y96 AromaticContact CD1-CG 3.9Å; Y56-Y96 HydrophobicContact CD1-CG 3.9Å; Y56-Y96 AromaticContact CD1-CZ 3.37Å; Y56-Y96 HydrophobicContact CE1-CD1 4.18Å; Y56-Y96 AromaticContact CE1-CE1 3.45Å; Y56-Y96 HydrophobicContact CE1-CE1 3.45Å; Y56-Y96 VanDerWaalsContact CE1-CE1 3.45Å; Y56-Y96 AromaticContact CE1-CE2 3.99Å; Y56-Y96 HydrophobicContact CE1-CE2 3.99Å; Y56-Y96 AromaticContact CE1-CZ 3.34Å; Y56-Y96 WeakPolarHBondContact CE1-OH 3.34Å; Y56-Y96 HydrophobicContact CG-CD2 4.43Å; Y56-Y96 HydrophobicContact CG-CE2 4.32Å
57	G	97.3	Very high	94.7	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-176.3	179	0	0	0	0	0	113.3	C51 G53 Q91	C51-G57 WeakPolarHBondContact O-CA 3.18Å; C51-G57 PolarHBondContact O-N 3.06Å; G53-G57 CarbonylContact C-O 3.03Å; G53-G57 VanDerWaalsContact C-O 3.27Å; G53-G57 PolarHBondContact O-N 2.96Å; G57-Q91 CarbonylContact C-O 3.57Å; G57-Q91 WeakPolarHBondContact CA-O 3.24Å
58	K	97.5	Very high	94.3	Very high	122 Å²	122	74.1 Å²	74.1	53%	0.53	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141	178.1	-172.1	178.1	-179.7	-179.4	0	110.6	I60 Q91 Y93	K58-I60 HydrophobicContact CB-CG2 4.22Å; K58-I60 HydrophobicContact CD-CG2 4.16Å; K58-I60 HydrophobicContact CG-CG2 4.02Å; K58-I60 PolarHBondContact O-N 3.35Å; K58-Q91 PolarHBondContact N-O 2.81Å; K58-Q91 PolarHBondContact O-N 3.27Å; K58-Y93 VanDerWaalsContact CB-OH 3.29Å; K58-Y93 WeakPolarHBondContact CB-OH 3.43Å
59	C	96.8	Very high	93.9	Very high	41 Å²	41	73.2 Å²	73.2	28%	0.277	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	115.6	169.5	-172	0	0	0	0	109.1	C41 V50 C51	C41-C59 HydrophobicContact CB-CB 3.61Å; C41-C59 WeakPolarHBondContact CB-SG 3Å; C41-C59 VanDerWaalsContact SG-CA 3.52Å; C41-C59 WeakPolarHBondContact SG-CB 3.12Å; C41-C59 CovalentContact SG-SG 2.03Å; C41-C59 PolarHBondContact SG-SG 3.47Å; V50-C59 HydrophobicContact CG1-CB 4.14Å; C51-C59 PolarHBondContact SG-N 3.1Å
60	I	97	Very high	93.5	Very high	55 Å²	55	71.8 Å²	71.8	28%	0.282	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159.1	-177.5	62.6	150	0	0	0	111.2	K58 Y88 F89 Q91	K58-I60 HydrophobicContact CB-CG2 4.22Å; K58-I60 HydrophobicContact CD-CG2 4.16Å; K58-I60 HydrophobicContact CG-CG2 4.02Å; K58-I60 PolarHBondContact O-N 3.35Å; I60-Y88 VanDerWaalsContact C-CD1 3.42Å; I60-Y88 CarbonylContact O-C 3.23Å; I60-Y88 WeakPolarHBondContact O-CA 2.73Å; I60-Y88 WeakPolarHBondContact O-CB 3.22Å; I60-F89 PolarHBondContact N-O 2.69Å; I60-F89 PolarHBondContact O-N 3.41Å; I60-Q91 HydrophobicContact CD1-CB 3.81Å; I60-Q91 HydrophobicContact CD1-CG 4.4Å; I60-Q91 HydrophobicContact CG1-CB 3.77Å
61	Q	96.6	Very high	93.1	Very high	126 Å²	126	72.7 Å²	72.7	59%	0.589	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.6	171.2	-169.9	174.6	17.3	0	0	109.6	W63 T87 Y88	Q61-W63 PolarHBondContact O-N 2.85Å; Q61-T87 WeakPolarHBondContact CA-O 3.22Å; Q61-T87 HydrophobicContact CG-CG2 4.3Å; Q61-Y88 HydrophobicContact CB-CD1 4.15Å; Q61-Y88 HydrophobicContact CB-CE1 3.85Å
62	I	94.8	Very high	92.7	Very high	18 Å²	18	74.9 Å²	74.9	9%	0.092	37%	0.365	C	S	.	.			trans	-70.8	129.1	179.9	-66	165.5	0	0	0	109.7	T64 P82 K83 F86 T87 F89 F428 L435	I62-T64 HydrophobicContact CG2-CG2 4.31Å; I62-P82 HydrophobicContact CD1-CG 3.69Å; I62-P82 HydrophobicContact CG2-CG 4.36Å; I62-K83 HydrophobicContact CG2-CG 4.05Å; I62-F86 HydrophobicContact CD1-CB 3.67Å; I62-F86 WeakPolarHBondContact CD1-O 3.34Å; I62-T87 PolarHBondContact N-O 3.39Å; I62-F89 HydrophobicContact CD1-CB 3.68Å; I62-F89 HydrophobicContact CG1-CB 3.66Å; I62-F428 HydrophobicContact CG2-CE2 3.76Å; I62-F428 HydrophobicContact CG2-CZ 4.48Å; I62-L435 HydrophobicContact CD1-CD1 4.2Å; I62-L435 HydrophobicContact CG1-CD1 4.33Å
63	W	93.5	Very high	92.4	Very high	161 Å²	161	76.5 Å²	76.5	61%	0.61	37%	0.372	S	S	*	.			trans	-111.8	123.8	173.1	-176.7	90.8	0	0	0	111.2	Q61 P65 F428 R437	Q61-W63 PolarHBondContact O-N 2.85Å; W63-P65 HydrophobicContact CH2-CB 4.25Å; W63-P65 HydrophobicContact CH2-CG 4.07Å; W63-P65 HydrophobicContact CZ3-CG 3.91Å; W63-F428 WeakPolarHBondContact O-CE2 3.26Å; W63-R437 PolarHBondContact O-NH1 3.45Å; W63-R437 PolarHBondContact O-NH2 3.12Å
64	T	91.3	Very high	92	Very high	16 Å²	16	80.1 Å²	80.1	10%	0.098	39%	0.389	C	S	.	.			trans	-112.9	143.5	172.3	59.7	0	0	0	0	110	I62 D80 W81 K83 F428	I62-T64 HydrophobicContact CG2-CG2 4.31Å; T64-D80 PolarHBondContact OG1-OD1 3.35Å; T64-D80 VanDerWaalsContact OG1-OD1 3.1Å; T64-W81 WeakPolarHBondContact CG2-O 3.4Å; T64-K83 HydrophobicContact CG2-CD 3.62Å; T64-K83 HydrophobicContact CG2-CG 4.09Å; T64-K83 VanDerWaalsContact OG1-CD 3.22Å; T64-K83 WeakPolarHBondContact OG1-CD 3.12Å; T64-F428 HydrophobicContact CG2-CD2 4.13Å; T64-F428 HydrophobicContact CG2-CE2 4.3Å
65	P	89.2	Confident	91.5	Very high	15 Å²	15	78.5 Å²	78.5	10%	0.097	37%	0.373	C	S	.	.			trans	-56.6	147.9	170.3	-22.1	33	0	0	0	111.4	W63 E67	W63-P65 HydrophobicContact CH2-CB 4.25Å; W63-P65 HydrophobicContact CH2-CG 4.07Å; W63-P65 HydrophobicContact CZ3-CG 3.91Å; P65-E67 PolarHBondContact O-N 3.08Å
66	R	86.8	Confident	91.3	Very high	251 Å²	251	72 Å²	72	95%	0.947	35%	0.345	S	S	*	.			trans	-78.7	119.3	172.3	-70.1	-174	-179.7	178.3	0.4	109.5
67	E	87.8	Confident	91	Very high	48 Å²	48	71.2 Å²	71.2	22%	0.224	34%	0.342	C	S	.	.			trans	-113.9	146.4	178.8	-63.4	-177.9	115.1	0	0	110.7	P65 I69 P421 G422	P65-E67 PolarHBondContact O-N 3.08Å; E67-I69 HydrophobicContact CB-CD1 3.7Å; E67-I69 HydrophobicContact CB-CG1 4.45Å; E67-I69 PolarHBondContact O-N 3.35Å; E67-P421 WeakPolarHBondContact OE1-CA 3.36Å; E67-G422 VanDerWaalsContact CD-N 3.27Å; E67-G422 PolarHBondContact OE1-N 2.98Å; E67-G422 PolarHBondContact OE2-N 2.93Å
68	K	86.1	Confident	90.7	Very high	201 Å²	201	71.2 Å²	71.2	87%	0.874	34%	0.342	S	S	*	.			trans	-80.3	105.3	173.9	-176.1	179.2	179.2	-179.5	0	108.6
69	I	88.1	Confident	90.3	Very high	32 Å²	32	65.8 Å²	65.8	16%	0.164	32%	0.319	C	S	.	.			trans	-105.1	121.5	-178.5	-47.7	-54.5	0	0	0	109.7	E67 F73 L74 I79 P421	E67-I69 HydrophobicContact CB-CD1 3.7Å; E67-I69 HydrophobicContact CB-CG1 4.45Å; E67-I69 PolarHBondContact O-N 3.35Å; I69-F73 HydrophobicContact CG2-CB 3.78Å; I69-L74 HydrophobicContact CB-CD2 3.89Å; I69-L74 HydrophobicContact CG2-CD2 3.85Å; I69-L74 HydrophobicContact CG2-CG 4.43Å; I69-I79 HydrophobicContact CD1-CD1 4.12Å; I69-I79 HydrophobicContact CD1-CG2 4.41Å; I69-I79 HydrophobicContact CG1-CG2 3.95Å; I69-I79 HydrophobicContact CG2-CD1 3.97Å; I69-I79 HydrophobicContact CG2-CG1 4.32Å; I69-I79 HydrophobicContact CG2-CG2 4.3Å; I69-P421 HydrophobicContact CD1-CB 3.41Å; I69-P421 VanDerWaalsContact CD1-CB 3.41Å; I69-P421 HydrophobicContact CD1-CG 3.34Å
70	P	88.4	Confident	90	Very high	66 Å²	66	66.4 Å²	66.4	43%	0.429	32%	0.319	S	S	.	.			trans	-51.9	139.6	166.4	-27	33.6	0	0	0	111.8	V72 F73	P70-V72 HydrophobicContact CB-CG2 4.15Å; P70-V72 PolarHBondContact O-N 3.41Å; P70-V72 VanDerWaalsContact O-N 3.15Å; P70-F73 HydrophobicContact CB-CD2 3.75Å; P70-F73 HydrophobicContact CB-CE2 4.11Å; P70-F73 HydrophobicContact CG-CD2 3.78Å; P70-F73 HydrophobicContact CG-CE2 3.97Å; P70-F73 PolarHBondContact O-N 2.6Å
71	S	89.4	Confident	89.8	Confident	95 Å²	95	64 Å²	64	66%	0.664	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-56.3	-36.3	-173.1	51.6	0	0	0	0	113.6	F73 L74	S71-F73 PolarHBondContact O-N 3.38Å; S71-L74 WeakPolarHBondContact O-CB 3.13Å; S71-L74 PolarHBondContact O-N 3.22Å; S71-L74 VanDerWaalsContact O-N 3.12Å
72	V	88.3	Confident	89.5	Confident	45 Å²	45	58 Å²	58	27%	0.273	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-56.9	-31.6	177.6	-63.3	0	0	0	0	112.5	P70 Y190 Y199	P70-V72 HydrophobicContact CB-CG2 4.15Å; P70-V72 PolarHBondContact O-N 3.41Å; P70-V72 VanDerWaalsContact O-N 3.15Å; V72-Y190 PolarHBondContact O-OH 2.78Å; V72-Y199 HydrophobicContact CB-CD1 4.44Å; V72-Y199 HydrophobicContact CB-CD2 4.35Å; V72-Y199 HydrophobicContact CB-CG 4.2Å; V72-Y199 HydrophobicContact CG1-CD1 4.28Å; V72-Y199 HydrophobicContact CG1-CD2 4.21Å; V72-Y199 HydrophobicContact CG1-CE1 4.21Å; V72-Y199 HydrophobicContact CG1-CE2 4.13Å; V72-Y199 HydrophobicContact CG1-CG 4.3Å; V72-Y199 HydrophobicContact CG2-CD1 4.27Å; V72-Y199 HydrophobicContact CG2-CG 4.35Å
73	F	87.8	Confident	89.3	Confident	35 Å²	35	61.5 Å²	61.5	15%	0.154	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-88.6	-7.6	-178.2	-62.3	-40.8	0	0	0	114.3	I69 P70 S71 I75 D76 I79 Y199 L202	I69-F73 HydrophobicContact CG2-CB 3.78Å; P70-F73 HydrophobicContact CB-CD2 3.75Å; P70-F73 HydrophobicContact CB-CE2 4.11Å; P70-F73 HydrophobicContact CG-CD2 3.78Å; P70-F73 HydrophobicContact CG-CE2 3.97Å; P70-F73 PolarHBondContact O-N 2.6Å; S71-F73 PolarHBondContact O-N 3.38Å; F73-I75 PolarHBondContact O-N 2.84Å; F73-I75 VanDerWaalsContact O-N 3.1Å; F73-D76 VanDerWaalsContact O-CB 3.31Å; F73-D76 WeakPolarHBondContact O-CB 3.02Å; F73-D76 PolarHBondContact O-N 3.09Å; F73-I79 WeakPolarHBondContact O-CG1 3.35Å; F73-Y199 VanDerWaalsContact CE1-O 3.31Å; F73-Y199 WeakPolarHBondContact CE1-O 3.48Å; F73-L202 HydrophobicContact CB-CD1 3.89Å; F73-L202 HydrophobicContact CD1-CD1 3.55Å; F73-L202 HydrophobicContact CD1-CD2 3.93Å; F73-L202 HydrophobicContact CD1-CG 3.64Å; F73-L202 HydrophobicContact CD2-CD1 4.5Å; F73-L202 HydrophobicContact CD2-CD2 3.95Å; F73-L202 HydrophobicContact CE1-CD1 4.21Å; F73-L202 HydrophobicContact CE1-CD2 3.9Å; F73-L202 HydrophobicContact CE1-CG 3.76Å; F73-L202 HydrophobicContact CE2-CD2 3.94Å; F73-L202 HydrophobicContact CG-CD1 3.73Å; F73-L202 HydrophobicContact CG-CD2 3.97Å; F73-L202 HydrophobicContact CG-CG 4.07Å; F73-L202 HydrophobicContact CZ-CD2 3.92Å; F73-L202 HydrophobicContact CZ-CG 4.29Å
74	L	87.8	Confident	89	Confident	85 Å²	85	59 Å²	59	45%	0.445	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-64.7	-18.1	-175.9	-68.4	175.5	0	0	0	113.6	I69 S71 D76 R84	I69-L74 HydrophobicContact CB-CD2 3.89Å; I69-L74 HydrophobicContact CG2-CD2 3.85Å; I69-L74 HydrophobicContact CG2-CG 4.43Å; S71-L74 WeakPolarHBondContact O-CB 3.13Å; S71-L74 PolarHBondContact O-N 3.22Å; S71-L74 VanDerWaalsContact O-N 3.12Å; L74-D76 VanDerWaalsContact C-N 3.3Å; L74-R84 PolarHBondContact O-NH2 2.83Å
75	I	86.4	Confident	88.8	Confident	79 Å²	79	58.3 Å²	58.3	41%	0.405	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-82.3	-5.3	176	69.4	162.6	0	0	0	113.5	F73 T188 Y190	F73-I75 PolarHBondContact O-N 2.84Å; F73-I75 VanDerWaalsContact O-N 3.1Å; I75-T188 HydrophobicContact CD1-CG2 3.97Å; I75-T188 HydrophobicContact CG1-CG2 3.76Å; I75-Y190 HydrophobicContact CD1-CD1 3.37Å; I75-Y190 HydrophobicContact CD1-CE1 3.37Å; I75-Y190 HydrophobicContact CD1-CG 4.2Å; I75-Y190 HydrophobicContact CG1-CE1 4.12Å
76	D	89.3	Confident	88.9	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	27%	0.274	C	S	.	.			trans	-79.9	127.2	-178.6	-168	-59.6	0	0	0	110	F73 L74 R78 I79 T188 L202	F73-D76 VanDerWaalsContact O-CB 3.31Å; F73-D76 WeakPolarHBondContact O-CB 3.02Å; F73-D76 PolarHBondContact O-N 3.09Å; L74-D76 VanDerWaalsContact C-N 3.3Å; D76-R78 PolarHBondContact O-N 3.03Å; D76-R78 VanDerWaalsContact O-N 3.1Å; D76-R78 WeakPolarHBondContact OD1-CB 3.47Å; D76-R78 WeakPolarHBondContact OD1-CG 3.16Å; D76-R78 IonicContact OD1-CZ 2.86Å; D76-R78 PolarHBondContact OD1-N 3.44Å; D76-R78 IonicContact OD1-NE 3.87Å; D76-R78 PolarHBondContact OD1-NE 3.1Å; D76-R78 IonicContact OD1-NH2 3.66Å; D76-R78 IonicContact OD2-CZ 3.77Å; D76-R78 IonicContact OD2-NE 3.77Å; D76-R78 PolarHBondContact OD2-NE 2.85Å; D76-R78 IonicContact OD2-NH2 3.77Å; D76-R78 PolarHBondContact OD2-NH2 2.91Å; D76-I79 HydrophobicContact CB-CG1 3.98Å; D76-I79 PolarHBondContact O-N 2.81Å; D76-I79 VanDerWaalsContact O-N 3.16Å; D76-T188 HydrophobicContact CB-CG2 3.81Å; D76-T188 VanDerWaalsContact OD2-CA 3.23Å; D76-T188 WeakPolarHBondContact OD2-CA 3.06Å; D76-T188 VanDerWaalsContact OD2-CB 3.28Å; D76-T188 WeakPolarHBondContact OD2-CB 3.4Å; D76-T188 PolarHBondContact OD2-OG1 2.74Å; D76-L202 HydrophobicContact CB-CD1 4.04Å
77	D	90	Very high	89.1	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.6	-174	65.4	-53.6	0	0	0	113.6	R84 Y85 V160 D161 Y183 R186	D77-R84 WeakPolarHBondContact O-CG 3.08Å; D77-Y85 HydrophobicContact CB-CE2 4.42Å; D77-Y85 PolarHBondContact OD2-OH 3.21Å; D77-V160 HydrophobicContact CB-CG1 4.38Å; D77-D161 HydrophobicContact CB-CB 4.38Å; D77-Y183 VanDerWaalsContact OD2-CE2 3.27Å; D77-Y183 WeakPolarHBondContact OD2-CE2 3.39Å; D77-Y183 PolarHBondContact OD2-OH 2.78Å; D77-Y183 VanDerWaalsContact OD2-OH 3.04Å; D77-R186 IonicContact OD1-CZ 3.14Å; D77-R186 IonicContact OD1-NH1 2.65Å; D77-R186 PolarHBondContact OD1-NH1 2.92Å; D77-R186 IonicContact OD1-NH2 3.28Å; D77-R186 PolarHBondContact OD1-NH2 3.08Å; D77-R186 IonicContact OD2-NH2 2.69Å; D77-R186 PolarHBondContact OD2-NH2 3.26Å
78	R	91.5	Very high	89.5	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-14.5	-180	-57.3	166.8	-63.8	171.3	2.7	112.8	D76 D80 W81 Y183 R186 F204 I430	D76-R78 PolarHBondContact O-N 3.03Å; D76-R78 VanDerWaalsContact O-N 3.1Å; D76-R78 WeakPolarHBondContact OD1-CB 3.47Å; D76-R78 WeakPolarHBondContact OD1-CG 3.16Å; D76-R78 IonicContact OD1-CZ 2.86Å; D76-R78 PolarHBondContact OD1-N 3.44Å; D76-R78 IonicContact OD1-NE 3.87Å; D76-R78 PolarHBondContact OD1-NE 3.1Å; D76-R78 IonicContact OD1-NH2 3.66Å; D76-R78 IonicContact OD2-CZ 3.77Å; D76-R78 IonicContact OD2-NE 3.77Å; D76-R78 PolarHBondContact OD2-NE 2.85Å; D76-R78 IonicContact OD2-NH2 3.77Å; D76-R78 PolarHBondContact OD2-NH2 2.91Å; R78-D80 PolarHBondContact O-N 3.21Å; R78-W81 WeakPolarHBondContact O-CB 3.28Å; R78-W81 PolarHBondContact O-N 2.79Å; R78-Y183 WeakPolarHBondContact CD-O 3.36Å; R78-Y183 HydrophobicContact CG-CD1 4.29Å; R78-Y183 HydrophobicContact CG-CE1 3.55Å; R78-Y183 HydrophobicContact CG-CE2 4.24Å; R78-Y183 PolarHBondContact NH1-O 3.15Å; R78-R186 PolarHBondContact NH1-O 2.8Å; R78-R186 PolarHBondContact NH2-O 3.33Å; R78-F204 HydrophobicContact CB-CD2 4.14Å; R78-F204 HydrophobicContact CB-CE2 3.78Å; R78-F204 HydrophobicContact CB-CZ 4.15Å; R78-I430 HydrophobicContact CB-CG2 3.87Å; R78-I430 HydrophobicContact CG-CG2 4.1Å
79	I	90.2	Very high	89.9	Confident	8 Å²	8	40 Å²	40	4%	0.041	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	136	172.4	-64.5	-65	0	0	0	108.8	I69 F73 D76 W81 L202 F204 P421	I69-I79 HydrophobicContact CD1-CD1 4.12Å; I69-I79 HydrophobicContact CD1-CG2 4.41Å; I69-I79 HydrophobicContact CG1-CG2 3.95Å; I69-I79 HydrophobicContact CG2-CD1 3.97Å; I69-I79 HydrophobicContact CG2-CG1 4.32Å; I69-I79 HydrophobicContact CG2-CG2 4.3Å; F73-I79 WeakPolarHBondContact O-CG1 3.35Å; D76-I79 HydrophobicContact CB-CG1 3.98Å; D76-I79 PolarHBondContact O-N 2.81Å; D76-I79 VanDerWaalsContact O-N 3.16Å; I79-W81 PolarHBondContact O-N 2.93Å; I79-L202 HydrophobicContact CD1-CD1 4.45Å; I79-F204 HydrophobicContact CD1-CE1 4.41Å; I79-F204 HydrophobicContact CD1-CZ 3.94Å; I79-P421 HydrophobicContact CD1-CB 3.97Å
80	D	89.1	Confident	90.3	Very high	53 Å²	53	39 Å²	39	28%	0.283	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	27.1	-176.7	-101.6	1.7	0	0	0	113.2	T64 R78 K83	T64-D80 PolarHBondContact OG1-OD1 3.35Å; T64-D80 VanDerWaalsContact OG1-OD1 3.1Å; R78-D80 PolarHBondContact O-N 3.21Å; D80-K83 HydrophobicContact CB-CB 4.44Å; D80-K83 HydrophobicContact CB-CD 4.19Å; D80-K83 WeakPolarHBondContact O-CB 3.25Å; D80-K83 WeakPolarHBondContact O-CG 3.15Å; D80-K83 PolarHBondContact O-N 2.91Å; D80-K83 IonicContact OD2-NZ 2.79Å; D80-K83 PolarHBondContact OD2-NZ 3.21Å
81	W	92.4	Very high	90.6	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	135.8	-179.8	173.4	-103.9	0	0	0	113.1	M24 T64 R78 I79 Y85 Y183 V429 I430 G431 I433	M24-W81 HydrophobicContact CE-CH2 3.45Å; M24-W81 VanDerWaalsContact CE-CH2 3.45Å; M24-W81 HydrophobicContact CE-CZ3 3.42Å; M24-W81 VanDerWaalsContact CE-CZ3 3.42Å; M24-W81 HydrophobicContact SD-CH2 3.79Å; M24-W81 HydrophobicContact SD-CZ3 4.15Å; T64-W81 WeakPolarHBondContact CG2-O 3.4Å; R78-W81 WeakPolarHBondContact O-CB 3.28Å; R78-W81 PolarHBondContact O-N 2.79Å; I79-W81 PolarHBondContact O-N 2.93Å; W81-Y85 HydrophobicContact CE3-CD2 4.14Å; W81-Y85 HydrophobicContact CE3-CE2 4.29Å; W81-Y85 AromaticContact CZ3-CD2 3.6Å; W81-Y85 HydrophobicContact CZ3-CD2 3.6Å; W81-Y85 AromaticContact CZ3-CE2 3.72Å; W81-Y85 HydrophobicContact CZ3-CE2 3.72Å; W81-Y85 HydrophobicContact CZ3-CG 4.47Å; W81-Y183 HydrophobicContact CE3-CE1 4.3Å; W81-Y183 HydrophobicContact CH2-CE1 4.42Å; W81-Y183 HydrophobicContact CZ3-CE1 4Å; W81-Y183 AromaticContact CZ3-CZ 3.98Å; W81-Y183 VanDerWaalsContact CZ3-OH 3.28Å; W81-Y183 WeakPolarHBondContact CZ3-OH 3.23Å; W81-V429 PolarHBondContact NE1-O 3.15Å; W81-V429 VanDerWaalsContact NE1-O 3.17Å; W81-I430 HydrophobicContact CB-CD1 3.3Å; W81-I430 HydrophobicContact CG-CD1 3.79Å; W81-G431 VanDerWaalsContact CE2-N 3.26Å; W81-G431 VanDerWaalsContact CZ2-CA 3.45Å; W81-I433 HydrophobicContact CH2-CD1 4.35Å; W81-I433 HydrophobicContact CH2-CG1 4.45Å; W81-I433 HydrophobicContact CZ2-CD1 4.19Å; W81-I433 HydrophobicContact CZ2-CG1 3.86Å
82	P	91.8	Very high	91	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.4	24.5	-1.3	41.6	-43.4	0	0	0	113.9	I62 R84 Y85 F86 L435	I62-P82 HydrophobicContact CD1-CG 3.69Å; I62-P82 HydrophobicContact CG2-CG 4.36Å; P82-R84 PolarHBondContact O-N 2.01Å; P82-Y85 WeakPolarHBondContact O-CA 3.36Å; P82-Y85 PolarHBondContact O-N 3.22Å; P82-F86 PolarHBondContact O-N 2.86Å; P82-L435 HydrophobicContact CB-CD2 4.16Å; P82-L435 HydrophobicContact CG-CD1 3.75Å; P82-L435 HydrophobicContact CG-CD2 3.66Å; P82-L435 HydrophobicContact CG-CG 4.35Å
83	K	89.8	Confident	91.4	Very high	91 Å²	91	39.7 Å²	39.7	40%	0.396	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.8	-165.7	-70.7	167	59.3	-162.4	0	115.3	I62 T64 D80 Y85 F86	I62-K83 HydrophobicContact CG2-CG 4.05Å; T64-K83 HydrophobicContact CG2-CD 3.62Å; T64-K83 HydrophobicContact CG2-CG 4.09Å; T64-K83 VanDerWaalsContact OG1-CD 3.22Å; T64-K83 WeakPolarHBondContact OG1-CD 3.12Å; D80-K83 HydrophobicContact CB-CB 4.44Å; D80-K83 HydrophobicContact CB-CD 4.19Å; D80-K83 WeakPolarHBondContact O-CB 3.25Å; D80-K83 WeakPolarHBondContact O-CG 3.15Å; D80-K83 PolarHBondContact O-N 2.91Å; D80-K83 IonicContact OD2-NZ 2.79Å; D80-K83 PolarHBondContact OD2-NZ 3.21Å; K83-Y85 PolarHBondContact O-N 3.29Å; K83-F86 WeakPolarHBondContact CA-O 3.49Å
84	R	87	Confident	91.8	Very high	109 Å²	109	41.8 Å²	41.8	41%	0.411	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.5	170.1	-64	-63	-172.4	-166.7	5	112.4	L74 D77 P82 L163	L74-R84 PolarHBondContact O-NH2 2.83Å; D77-R84 WeakPolarHBondContact O-CG 3.08Å; P82-R84 PolarHBondContact O-N 2.01Å; R84-L163 HydrophobicContact CB-CD1 4.18Å; R84-L163 WeakPolarHBondContact O-CD1 3.44Å
85	Y	87.8	Confident	92.2	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-36.7	-175.5	-64	-89.6	0	0	0	112.6	M24 I25 L33 P38 D77 W81 P82 K83 V152 L163 Y183	M24-Y85 HydrophobicContact CE-CD1 3.57Å; M24-Y85 HydrophobicContact CE-CD2 3.72Å; M24-Y85 HydrophobicContact CE-CE1 3.22Å; M24-Y85 HydrophobicContact CE-CE2 3.41Å; M24-Y85 VanDerWaalsContact CE-CE2 3.41Å; M24-Y85 HydrophobicContact CE-CG 3.79Å; I25-Y85 HydrophobicContact CD1-CD1 3.99Å; I25-Y85 HydrophobicContact CD1-CG 4.47Å; L33-Y85 HydrophobicContact CD2-CD1 3.92Å; L33-Y85 HydrophobicContact CD2-CG 4.46Å; L33-Y85 WeakPolarHBondContact CD2-O 3.05Å; P38-Y85 WeakPolarHBondContact CB-O 3.33Å; D77-Y85 HydrophobicContact CB-CE2 4.42Å; D77-Y85 PolarHBondContact OD2-OH 3.21Å; W81-Y85 HydrophobicContact CE3-CD2 4.14Å; W81-Y85 HydrophobicContact CE3-CE2 4.29Å; W81-Y85 AromaticContact CZ3-CD2 3.6Å; W81-Y85 HydrophobicContact CZ3-CD2 3.6Å; W81-Y85 AromaticContact CZ3-CE2 3.72Å; W81-Y85 HydrophobicContact CZ3-CE2 3.72Å; W81-Y85 HydrophobicContact CZ3-CG 4.47Å; P82-Y85 WeakPolarHBondContact O-CA 3.36Å; P82-Y85 PolarHBondContact O-N 3.22Å; K83-Y85 PolarHBondContact O-N 3.29Å; Y85-V152 HydrophobicContact CE1-CG2 3.93Å; Y85-L163 HydrophobicContact CD1-CD1 3.57Å; Y85-L163 HydrophobicContact CD1-CD2 4.46Å; Y85-L163 HydrophobicContact CD2-CD1 4.23Å; Y85-L163 HydrophobicContact CE1-CD1 3.43Å; Y85-L163 VanDerWaalsContact CE1-CD1 3.43Å; Y85-L163 HydrophobicContact CE1-CD2 3.69Å; Y85-L163 HydrophobicContact CE1-CG 4.22Å; Y85-L163 HydrophobicContact CE2-CD1 4.1Å; Y85-L163 HydrophobicContact CG-CD1 3.98Å; Y85-Y183 WeakPolarHBondContact CE2-OH 3.39Å
86	F	90.8	Very high	92.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.			trans	-140.2	134.7	-175.8	-59.9	-62.4	0	0	0	112.9	I25 C29 L33 P38 C40 I62 P82 K83 F89 I433	I25-F86 HydrophobicContact CB-CZ 4.49Å; I25-F86 HydrophobicContact CD1-CE2 3.67Å; I25-F86 HydrophobicContact CD1-CZ 3.7Å; I25-F86 HydrophobicContact CG1-CZ 4.34Å; I25-F86 HydrophobicContact CG2-CE2 4.18Å; I25-F86 HydrophobicContact CG2-CZ 3.53Å; C29-F86 HydrophobicContact CB-CE1 4.33Å; C29-F86 HydrophobicContact CB-CZ 4.03Å; L33-F86 HydrophobicContact CD2-CE1 3.73Å; L33-F86 HydrophobicContact CD2-CE2 4.42Å; L33-F86 HydrophobicContact CD2-CZ 3.67Å; L33-F86 HydrophobicContact CG-CZ 4.47Å; P38-F86 HydrophobicContact CB-CD1 4.3Å; C40-F86 HydrophobicContact CB-CD1 3.54Å; C40-F86 HydrophobicContact CB-CD2 3.98Å; C40-F86 HydrophobicContact CB-CE1 3.59Å; C40-F86 HydrophobicContact CB-CE2 4Å; C40-F86 HydrophobicContact CB-CG 3.76Å; C40-F86 HydrophobicContact CB-CZ 3.82Å; I62-F86 HydrophobicContact CD1-CB 3.67Å; I62-F86 WeakPolarHBondContact CD1-O 3.34Å; P82-F86 PolarHBondContact O-N 2.86Å; K83-F86 WeakPolarHBondContact CA-O 3.49Å; F86-F89 HydrophobicContact CD2-CD2 4.41Å; F86-I433 HydrophobicContact CD2-CD1 4.43Å; F86-I433 HydrophobicContact CE2-CD1 3.97Å
87	T	91.8	Very high	93.1	Very high	43 Å²	43	37.9 Å²	37.9	26%	0.264	20%	0.195	S	C	.	.	S	Bend	trans	-86.5	-35.8	167.7	-55.6	0	0	0	0	111.4	I37 P38 Q61 I62	I37-T87 HydrophobicContact CG2-CG2 4.03Å; P38-T87 PolarHBondContact O-N 2.77Å; Q61-T87 WeakPolarHBondContact CA-O 3.22Å; Q61-T87 HydrophobicContact CG-CG2 4.3Å; I62-T87 PolarHBondContact N-O 3.39Å
88	Y	94.7	Very high	93.4	Very high	81 Å²	81	37.9 Å²	37.9	32%	0.318	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143	179.7	-65.6	-101.9	0	0	0	111.5	I37 P38 V39 C40 I60 Q61	I37-Y88 HydrophobicContact CG2-CD2 3.92Å; I37-Y88 HydrophobicContact CG2-CE2 3.82Å; P38-Y88 PolarHBondContact O-N 2.65Å; V39-Y88 HydrophobicContact CG2-CD2 4.01Å; V39-Y88 HydrophobicContact CG2-CG 4.36Å; C40-Y88 PolarHBondContact N-O 3Å; I60-Y88 VanDerWaalsContact C-CD1 3.42Å; I60-Y88 CarbonylContact O-C 3.23Å; I60-Y88 WeakPolarHBondContact O-CA 2.73Å; I60-Y88 WeakPolarHBondContact O-CB 3.22Å; Q61-Y88 HydrophobicContact CB-CD1 4.15Å; Q61-Y88 HydrophobicContact CB-CE1 3.85Å
89	F	95.2	Very high	93.5	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	154.8	177.9	-159.4	-85.3	0	0	0	110.8	C40 C41 I60 I62 F86 Q91 I433 L435	C40-F89 HydrophobicContact CB-CD2 3.62Å; C40-F89 HydrophobicContact CB-CE2 3.8Å; C40-F89 WeakPolarHBondContact O-CA 3.43Å; C40-F89 WeakPolarHBondContact SG-CE2 3.01Å; C41-F89 VanDerWaalsContact SG-C 3.58Å; I60-F89 PolarHBondContact N-O 2.69Å; I60-F89 PolarHBondContact O-N 3.41Å; I62-F89 HydrophobicContact CD1-CB 3.68Å; I62-F89 HydrophobicContact CG1-CB 3.66Å; F86-F89 HydrophobicContact CD2-CD2 4.41Å; F89-Q91 PolarHBondContact O-N 3.28Å; F89-I433 HydrophobicContact CE2-CG2 3.64Å; F89-I433 HydrophobicContact CZ-CG2 3.46Å; F89-I433 VanDerWaalsContact CZ-CG2 3.46Å; F89-L435 HydrophobicContact CB-CD1 3.79Å; F89-L435 HydrophobicContact CD1-CB 4.36Å; F89-L435 HydrophobicContact CD1-CD1 3.67Å; F89-L435 HydrophobicContact CD1-CG 3.86Å; F89-L435 HydrophobicContact CD2-CD1 3.81Å; F89-L435 HydrophobicContact CD2-CG 4.07Å; F89-L435 HydrophobicContact CE1-CB 4.35Å; F89-L435 HydrophobicContact CE1-CD1 4.28Å; F89-L435 HydrophobicContact CE1-CG 3.95Å; F89-L435 HydrophobicContact CE2-CD1 4.36Å; F89-L435 HydrophobicContact CE2-CG 4.1Å; F89-L435 HydrophobicContact CG-CD1 3.47Å; F89-L435 VanDerWaalsContact CG-CD1 3.47Å; F89-L435 HydrophobicContact CG-CG 3.99Å; F89-L435 HydrophobicContact CZ-CG 4.09Å
90	C	96	Very high	93.7	Very high	9 Å²	9	38 Å²	38	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.2	173.2	-70.6	0	0	0	0	112.1	C40 C41 C51 S99	C40-C90 PolarHBondContact O-N 3.1Å; C41-C90 VanDerWaalsContact CA-SG 3.54Å; C51-C90 WeakPolarHBondContact CA-SG 2.91Å; C51-C90 HydrophobicContact CB-CB 3.75Å; C51-C90 WeakPolarHBondContact CB-SG 3.2Å; C51-C90 WeakPolarHBondContact SG-CA 3.43Å; C51-C90 WeakPolarHBondContact SG-CB 3.42Å; C51-C90 CovalentContact SG-SG 2.03Å; C51-C90 PolarHBondContact SG-SG 2.92Å; C90-S99 WeakPolarHBondContact CB-O 3.48Å; C90-S99 PolarHBondContact SG-O 2.96Å
91	Q	96.4	Very high	94.1	Very high	101 Å²	101	35.4 Å²	35.4	47%	0.472	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114	163.4	-177.9	175.6	24.1	0	0	109.2	G57 K58 I60 F89	G57-Q91 CarbonylContact C-O 3.57Å; G57-Q91 WeakPolarHBondContact CA-O 3.24Å; K58-Q91 PolarHBondContact N-O 2.81Å; K58-Q91 PolarHBondContact O-N 3.27Å; I60-Q91 HydrophobicContact CD1-CB 3.81Å; I60-Q91 HydrophobicContact CD1-CG 4.4Å; I60-Q91 HydrophobicContact CG1-CB 3.77Å; F89-Q91 PolarHBondContact O-N 3.28Å
92	C	97	Very high	94.2	Very high	34 Å²	34	37 Å²	37	23%	0.23	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	150.5	179.6	-51.1	0	0	0	0	111.8	Y56 Y96 C101	Y56-C92 WeakPolarHBondContact O-CA 2.94Å; C92-Y96 VanDerWaalsContact CB-O 3.24Å; C92-Y96 WeakPolarHBondContact CB-O 3.39Å; C92-C101 WeakPolarHBondContact CA-SG 3.23Å; C92-C101 HydrophobicContact CB-CB 3.77Å; C92-C101 WeakPolarHBondContact CB-SG 3.48Å; C92-C101 WeakPolarHBondContact SG-CA 3.21Å; C92-C101 WeakPolarHBondContact SG-CB 3.38Å; C92-C101 CovalentContact SG-SG 2.05Å; C92-C101 PolarHBondContact SG-SG 2.78Å
93	Y	96.8	Very high	94.4	Very high	87 Å²	87	39.3 Å²	39.3	34%	0.341	20%	0.204	S	C	.	.			trans	-106.6	151.5	-178.3	-58.9	-33.2	0	0	0	112.2	P54 Y56 K58 N95 Y96	P54-Y93 WeakPolarHBondContact O-CD2 3.27Å; P54-Y93 WeakPolarHBondContact O-CE2 3.43Å; Y56-Y93 PolarHBondContact O-N 3.1Å; K58-Y93 VanDerWaalsContact CB-OH 3.29Å; K58-Y93 WeakPolarHBondContact CB-OH 3.43Å; Y93-N95 PolarHBondContact O-N 3.04Å; Y93-Y96 VanDerWaalsContact O-CD2 3.29Å; Y93-Y96 WeakPolarHBondContact O-CD2 3.37Å; Y93-Y96 PolarHBondContact O-N 2.72Å; Y93-Y96 VanDerWaalsContact O-N 3.1Å
94	G	96	Very high	94.7	Very high	78 Å²	78	36.1 Å²	36.1	80%	0.804	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	-122.8	177.5	0	0	0	0	0	112.3
95	N	97.3	Very high	95.2	Very high	50 Å²	50	33 Å²	33	27%	0.267	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	8.3	-179.1	-61.7	-33.3	0	0	0	113.3	Y93 C104 W105 W108 C113	Y93-N95 PolarHBondContact O-N 3.04Å; N95-C104 WeakPolarHBondContact O-CA 3.28Å; N95-W105 WeakPolarHBondContact O-CB 3.25Å; N95-W105 PolarHBondContact O-N 2.02Å; N95-W108 HydrophobicContact CB-CB 4.27Å; N95-W108 HydrophobicContact CB-CD2 4.13Å; N95-W108 HydrophobicContact CB-CG 3.87Å; N95-W108 VanDerWaalsContact ND2-CD2 3.28Å; N95-W108 VanDerWaalsContact ND2-CE2 3.26Å; N95-W108 WeakPolarHBondContact ND2-CZ2 3.29Å; N95-W108 VanDerWaalsContact OD1-CE2 3.28Å; N95-W108 PolarHBondContact OD1-NE1 2.96Å; N95-W108 VanDerWaalsContact OD1-NE1 3.12Å; N95-C113 HydrophobicContact CB-CB 3.76Å; N95-C113 VanDerWaalsContact CB-O 3.29Å; N95-C113 WeakPolarHBondContact CB-O 3Å; N95-C113 PolarHBondContact ND2-O 3.2Å
96	Y	97.6	Very high	95.7	Very high	27 Å²	27	33 Å²	33	11%	0.106	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	149.4	175.1	-61.5	-70.5	0	0	0	110.7	I46 Y56 C92 Y93 E103 C113	I46-Y96 HydrophobicContact CD1-CE1 4.48Å; Y56-Y96 AromaticContact CD1-CD1 3.66Å; Y56-Y96 HydrophobicContact CD1-CD1 3.66Å; Y56-Y96 AromaticContact CD1-CD2 3.86Å; Y56-Y96 HydrophobicContact CD1-CD2 3.86Å; Y56-Y96 AromaticContact CD1-CE1 3.4Å; Y56-Y96 HydrophobicContact CD1-CE1 3.4Å; Y56-Y96 VanDerWaalsContact CD1-CE1 3.4Å; Y56-Y96 AromaticContact CD1-CE2 3.61Å; Y56-Y96 HydrophobicContact CD1-CE2 3.61Å; Y56-Y96 AromaticContact CD1-CG 3.9Å; Y56-Y96 HydrophobicContact CD1-CG 3.9Å; Y56-Y96 AromaticContact CD1-CZ 3.37Å; Y56-Y96 HydrophobicContact CE1-CD1 4.18Å; Y56-Y96 AromaticContact CE1-CE1 3.45Å; Y56-Y96 HydrophobicContact CE1-CE1 3.45Å; Y56-Y96 VanDerWaalsContact CE1-CE1 3.45Å; Y56-Y96 AromaticContact CE1-CE2 3.99Å; Y56-Y96 HydrophobicContact CE1-CE2 3.99Å; Y56-Y96 AromaticContact CE1-CZ 3.34Å; Y56-Y96 WeakPolarHBondContact CE1-OH 3.34Å; Y56-Y96 HydrophobicContact CG-CD2 4.43Å; Y56-Y96 HydrophobicContact CG-CE2 4.32Å; C92-Y96 VanDerWaalsContact CB-O 3.24Å; C92-Y96 WeakPolarHBondContact CB-O 3.39Å; Y93-Y96 VanDerWaalsContact O-CD2 3.29Å; Y93-Y96 WeakPolarHBondContact O-CD2 3.37Å; Y93-Y96 PolarHBondContact O-N 2.72Å; Y93-Y96 VanDerWaalsContact O-N 3.1Å; Y96-E103 CarbonylContact C-O 3.6Å; Y96-E103 WeakPolarHBondContact CA-O 3.4Å; Y96-C113 HydrophobicContact CD1-CB 4.23Å; Y96-C113 VanDerWaalsContact CD1-SG 3.56Å; Y96-C113 HydrophobicContact CE1-CB 4.19Å
97	F	96.5	Very high	95.9	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-179.5	-174	-167.2	-118.5	0	0	0	110.5	C101 D102 E103 W105 F106 Y217 P434	F97-C101 CarbonylContact O-C 3.27Å; F97-C101 VanDerWaalsContact O-C 3.31Å; F97-C101 WeakPolarHBondContact O-CA 3.49Å; F97-D102 PolarHBondContact O-N 2.62Å; F97-E103 PolarHBondContact N-O 2.8Å; F97-E103 CarbonylContact O-C 3.48Å; F97-E103 WeakPolarHBondContact O-CA 3.31Å; F97-E103 PolarHBondContact O-N 2.82Å; F97-W105 HydrophobicContact CB-CB 4.35Å; F97-W105 HydrophobicContact CB-CE3 4.23Å; F97-W105 HydrophobicContact CD2-CD2 4.39Å; F97-W105 AromaticContact CD2-CE3 3.22Å; F97-W105 HydrophobicContact CD2-CE3 3.22Å; F97-W105 AromaticContact CD2-CZ3 3.36Å; F97-W105 HydrophobicContact CD2-CZ3 3.36Å; F97-W105 AromaticContact CE2-CE3 3.63Å; F97-W105 HydrophobicContact CE2-CE3 3.63Å; F97-W105 HydrophobicContact CE2-CH2 4.19Å; F97-W105 AromaticContact CE2-CZ3 3.26Å; F97-W105 HydrophobicContact CE2-CZ3 3.26Å; F97-W105 AromaticContact CG-CE3 3.81Å; F97-W105 HydrophobicContact CG-CE3 3.81Å; F97-W105 HydrophobicContact CG-CZ3 4.32Å; F97-W105 HydrophobicContact CZ-CE3 4.49Å; F97-W105 HydrophobicContact CZ-CZ3 4.17Å; F97-F106 HydrophobicContact CE1-CE2 4.19Å; F97-F106 HydrophobicContact CE1-CZ 4.4Å; F97-F106 HydrophobicContact CZ-CE2 4.41Å; F97-Y217 HydrophobicContact CZ-CE2 4.22Å; F97-Y217 WeakPolarHBondContact CZ-OH 3.35Å; F97-P434 HydrophobicContact CD1-CG 4.26Å; F97-P434 HydrophobicContact CD2-CB 4.44Å; F97-P434 HydrophobicContact CE1-CB 4.04Å; F97-P434 HydrophobicContact CE1-CG 3.7Å; F97-P434 HydrophobicContact CE2-CB 3.8Å; F97-P434 HydrophobicContact CE2-CG 4.37Å; F97-P434 HydrophobicContact CZ-CB 3.6Å; F97-P434 HydrophobicContact CZ-CG 3.8Å
98	G	94.8	Very high	96.2	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.031	18%	0.181	C	C	.	.	S	Bend	trans	97.4	169.4	-175.6	0	0	0	0	0	111.9	A100 P434	G98-A100 PolarHBondContact O-N 2.89Å; G98-P434 VanDerWaalsContact CA-CG 3.41Å
99	S	93.9	Very high	96.3	Very high	10 Å²	10	35.2 Å²	35.2	7%	0.07	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.9	175.4	54.6	0	0	0	0	112.5	P42 C90	P42-S99 VanDerWaalsContact CD-O 3.23Å; P42-S99 WeakPolarHBondContact CD-O 3.28Å; P42-S99 VanDerWaalsContact CG-O 3.25Å; P42-S99 WeakPolarHBondContact CG-O 3.31Å; C90-S99 WeakPolarHBondContact CB-O 3.48Å; C90-S99 PolarHBondContact SG-O 2.96Å
100	A	95.6	Very high	96.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	9.1	179.9	0	0	0	0	0	114.2	P42 S44 C51 G98 D102	P42-A100 HydrophobicContact CB-CB 4.2Å; P42-A100 HydrophobicContact CG-CB 3.66Å; S44-A100 WeakPolarHBondContact CB-O 3.35Å; C51-A100 CarbonylContact C-O 3.01Å; G98-A100 PolarHBondContact O-N 2.89Å; A100-D102 PolarHBondContact O-N 2.71Å
101	C	96.4	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	56.8	31.1	-173.2	-52.6	0	0	0	0	114.3	C51 C92 F97	C51-C101 WeakPolarHBondContact O-CB 3.01Å; C92-C101 WeakPolarHBondContact CA-SG 3.23Å; C92-C101 HydrophobicContact CB-CB 3.77Å; C92-C101 WeakPolarHBondContact CB-SG 3.48Å; C92-C101 WeakPolarHBondContact SG-CA 3.21Å; C92-C101 WeakPolarHBondContact SG-CB 3.38Å; C92-C101 CovalentContact SG-SG 2.05Å; C92-C101 PolarHBondContact SG-SG 2.78Å; F97-C101 CarbonylContact O-C 3.27Å; F97-C101 VanDerWaalsContact O-C 3.31Å; F97-C101 WeakPolarHBondContact O-CA 3.49Å
102	D	95.4	Very high	95.8	Very high	39 Å²	39	45.6 Å²	45.6	21%	0.209	23%	0.234	C	C	.	.			trans	-110.4	-0.9	-178.6	62.3	-14.5	0	0	0	114.5	S44 N45 I46 F97 A100	S44-D102 WeakPolarHBondContact OG-CB 3.22Å; N45-D102 PolarHBondContact N-OD2 3.49Å; N45-D102 PolarHBondContact ND2-OD2 3.05Å; I46-D102 HydrophobicContact CD1-CB 4.11Å; I46-D102 HydrophobicContact CG1-CB 3.92Å; F97-D102 PolarHBondContact O-N 2.62Å; A100-D102 PolarHBondContact O-N 2.71Å
103	E	95.4	Very high	95.8	Very high	49 Å²	49	44.2 Å²	44.2	23%	0.229	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	168.7	169.2	-59.2	-164.1	166.9	0	0	110.8	Y96 F97 R224 K228	Y96-E103 CarbonylContact C-O 3.6Å; Y96-E103 WeakPolarHBondContact CA-O 3.4Å; F97-E103 PolarHBondContact N-O 2.8Å; F97-E103 CarbonylContact O-C 3.48Å; F97-E103 WeakPolarHBondContact O-CA 3.31Å; F97-E103 PolarHBondContact O-N 2.82Å; E103-R224 IonicContact OE2-NE 2.72Å; E103-K228 IonicContact OE1-NZ 3.5Å; E103-K228 PolarHBondContact OE1-NZ 3.22Å
104	C	96.7	Very high	95.8	Very high	23 Å²	23	44.9 Å²	44.9	16%	0.155	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.7	171.8	-59.9	0	0	0	0	111.6	N95 W108 G110 C113 R224	N95-C104 WeakPolarHBondContact O-CA 3.28Å; C104-W108 HydrophobicContact CB-CB 4.05Å; C104-W108 VanDerWaalsContact CB-O 3.29Å; C104-W108 WeakPolarHBondContact CB-O 3.46Å; C104-G110 PolarHBondContact SG-O 2.98Å; C104-G110 VanDerWaalsContact SG-O 3.33Å; C104-C113 WeakPolarHBondContact CA-SG 3.49Å; C104-C113 HydrophobicContact CB-CB 3.75Å; C104-C113 WeakPolarHBondContact CB-SG 3.33Å; C104-C113 WeakPolarHBondContact SG-CA 3.25Å; C104-C113 WeakPolarHBondContact SG-CB 3.23Å; C104-C113 CovalentContact SG-SG 2.05Å; C104-C113 PolarHBondContact SG-SG 2.03Å; C104-R224 PolarHBondContact O-NH2 3.39Å
105	W	97.4	Very high	95.9	Very high	44 Å²	44	47.5 Å²	47.5	17%	0.167	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-53.8	151.7	169.3	-170.5	-93.2	0	0	0	110.2	N95 F97 G107 W108 A436 E440 F441 F448	N95-W105 WeakPolarHBondContact O-CB 3.25Å; N95-W105 PolarHBondContact O-N 2.02Å; F97-W105 HydrophobicContact CB-CB 4.35Å; F97-W105 HydrophobicContact CB-CE3 4.23Å; F97-W105 HydrophobicContact CD2-CD2 4.39Å; F97-W105 AromaticContact CD2-CE3 3.22Å; F97-W105 HydrophobicContact CD2-CE3 3.22Å; F97-W105 AromaticContact CD2-CZ3 3.36Å; F97-W105 HydrophobicContact CD2-CZ3 3.36Å; F97-W105 AromaticContact CE2-CE3 3.63Å; F97-W105 HydrophobicContact CE2-CE3 3.63Å; F97-W105 HydrophobicContact CE2-CH2 4.19Å; F97-W105 AromaticContact CE2-CZ3 3.26Å; F97-W105 HydrophobicContact CE2-CZ3 3.26Å; F97-W105 AromaticContact CG-CE3 3.81Å; F97-W105 HydrophobicContact CG-CE3 3.81Å; F97-W105 HydrophobicContact CG-CZ3 4.32Å; F97-W105 HydrophobicContact CZ-CE3 4.49Å; F97-W105 HydrophobicContact CZ-CZ3 4.17Å; W105-G107 PolarHBondContact O-N 3.25Å; W105-W108 WeakPolarHBondContact O-CB 3.41Å; W105-W108 PolarHBondContact O-N 2.85Å; W105-A436 HydrophobicContact CH2-CB 4.14Å; W105-E440 HydrophobicContact CH2-CB 4.39Å; W105-E440 WeakPolarHBondContact CH2-OE1 3.37Å; W105-E440 HydrophobicContact CZ2-CB 4.39Å; W105-F441 HydrophobicContact CH2-CZ 4.39Å; W105-F441 HydrophobicContact CZ2-CZ 4.44Å; W105-F448 HydrophobicContact CZ2-CE1 4.43Å; W105-F448 AromaticContact NE1-CD1 3.79Å; W105-F448 AromaticContact NE1-CE1 3.84Å
106	F	97.2	Very high	95.8	Very high	1 Å²	1	50 Å²	50	0%	0.004	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	135.3	-178.8	-56.6	-78.4	0	0	0	111.1	F97 W108 Y217 L220 R224 F441 F448	F97-F106 HydrophobicContact CE1-CE2 4.19Å; F97-F106 HydrophobicContact CE1-CZ 4.4Å; F97-F106 HydrophobicContact CZ-CE2 4.41Å; F106-W108 VanDerWaalsContact C-N 3.34Å; F106-Y217 AromaticContact CE2-CD2 3.83Å; F106-Y217 HydrophobicContact CE2-CD2 3.83Å; F106-Y217 AromaticContact CE2-CE2 3.67Å; F106-Y217 HydrophobicContact CE2-CE2 3.67Å; F106-Y217 AromaticContact CZ-CD2 3.98Å; F106-Y217 HydrophobicContact CZ-CD2 3.98Å; F106-Y217 AromaticContact CZ-CE2 3.74Å; F106-Y217 HydrophobicContact CZ-CE2 3.74Å; F106-L220 HydrophobicContact CD1-CB 3.84Å; F106-L220 HydrophobicContact CD1-CD1 4.5Å; F106-L220 HydrophobicContact CD1-CD2 4.35Å; F106-L220 HydrophobicContact CD1-CG 4.47Å; F106-L220 HydrophobicContact CD2-CD1 4.2Å; F106-L220 HydrophobicContact CE1-CB 3.51Å; F106-L220 WeakPolarHBondContact CE1-O 3.28Å; F106-L220 HydrophobicContact CE2-CB 4.25Å; F106-L220 HydrophobicContact CE2-CD1 4.47Å; F106-L220 HydrophobicContact CG-CB 4.34Å; F106-L220 HydrophobicContact CG-CD1 4.21Å; F106-L220 HydrophobicContact CZ-CB 3.72Å; F106-R224 VanDerWaalsContact CE1-NH2 3.32Å; F106-F441 HydrophobicContact CD2-CE1 4.34Å; F106-F441 HydrophobicContact CE2-CE1 4.11Å; F106-F441 HydrophobicContact CE2-CZ 4.45Å; F106-F448 CarbonylContact C-O 3.58Å; F106-F448 HydrophobicContact CB-CB 3.79Å; F106-F448 HydrophobicContact CB-CD1 3.98Å; F106-F448 HydrophobicContact CB-CG 4.27Å
107	G	97	Very high	95.7	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.021	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-0.2	-175.7	0	0	0	0	0	115	W105 R116 S117 F448	W105-G107 PolarHBondContact O-N 3.25Å; G107-R116 CarbonylContact O-C 3.53Å; G107-R116 WeakPolarHBondContact O-CA 3.38Å; G107-R116 VanDerWaalsContact O-CZ 3.25Å; G107-R116 PolarHBondContact O-NE 3.2Å; G107-S117 PolarHBondContact O-N 2.84Å; G107-F448 WeakPolarHBondContact CA-O 3.36Å; G107-F448 PolarHBondContact N-O 2.98Å
108	W	97.7	Very high	95.7	Very high	68 Å²	68	51.9 Å²	51.9	26%	0.258	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.2	176.1	-58.4	97.2	0	0	0	111.7	N95 C104 W105 F106 C113 K115 R116	N95-W108 HydrophobicContact CB-CB 4.27Å; N95-W108 HydrophobicContact CB-CD2 4.13Å; N95-W108 HydrophobicContact CB-CG 3.87Å; N95-W108 VanDerWaalsContact ND2-CD2 3.28Å; N95-W108 VanDerWaalsContact ND2-CE2 3.26Å; N95-W108 WeakPolarHBondContact ND2-CZ2 3.29Å; N95-W108 VanDerWaalsContact OD1-CE2 3.28Å; N95-W108 PolarHBondContact OD1-NE1 2.96Å; N95-W108 VanDerWaalsContact OD1-NE1 3.12Å; C104-W108 HydrophobicContact CB-CB 4.05Å; C104-W108 VanDerWaalsContact CB-O 3.29Å; C104-W108 WeakPolarHBondContact CB-O 3.46Å; W105-W108 WeakPolarHBondContact O-CB 3.41Å; W105-W108 PolarHBondContact O-N 2.85Å; F106-W108 VanDerWaalsContact C-N 3.34Å; W108-C113 HydrophobicContact CB-CB 4.44Å; W108-K115 CarbonylContact C-O 3.6Å; W108-K115 WeakPolarHBondContact CA-O 3.46Å; W108-R116 VanDerWaalsContact CZ3-CD 3.47Å; W108-R116 HydrophobicContact CZ3-CG 4.22Å; W108-R116 VanDerWaalsContact NE1-NH1 3.14Å
109	K	96	Very high	95.7	Very high	101 Å²	101	53.1 Å²	53.1	44%	0.439	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	173.5	177.4	65.8	179.8	178.5	-176.9	0	112.2	K115 R116	K109-K115 HydrophobicContact CG-CB 4.06Å; K109-K115 PolarHBondContact N-O 3.28Å; K109-K115 PolarHBondContact O-N 3.13Å; K109-R116 WeakPolarHBondContact CE-O 3.43Å
110	G	93.8	Very high	95.8	Very high	41 Å²	41	53.6 Å²	53.6	42%	0.423	25%	0.25	S	C	.	.	S	Bend	trans	89.7	165.4	179.3	0	0	0	0	0	112.8	C104 Y112 C113	C104-G110 PolarHBondContact SG-O 2.98Å; C104-G110 VanDerWaalsContact SG-O 3.33Å; G110-Y112 PolarHBondContact O-N 3.49Å; G110-C113 PolarHBondContact O-N 3.21Å
111	R	90.6	Very high	95.9	Very high	181 Å²	181	53.7 Å²	53.7	68%	0.683	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.9	-174.7	-175.5	178	179.4	-176.8	0.1	114.6
112	Y	93.9	Very high	96	Very high	113 Å²	113	55.3 Å²	55.3	44%	0.443	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	12.7	-177.9	-52.6	-64.1	0	0	0	113.2	G110 N114	G110-Y112 PolarHBondContact O-N 3.49Å; Y112-N114 PolarHBondContact O-N 2.95Å
113	C	96.4	Very high	96.1	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.027	25%	0.246	C	C	.	.	S	Bend	trans	48.4	36.9	-179.4	-55.8	0	0	0	0	114.6	N95 Y96 C104 W108 G110	N95-C113 HydrophobicContact CB-CB 3.76Å; N95-C113 VanDerWaalsContact CB-O 3.29Å; N95-C113 WeakPolarHBondContact CB-O 3Å; N95-C113 PolarHBondContact ND2-O 3.2Å; Y96-C113 HydrophobicContact CD1-CB 4.23Å; Y96-C113 VanDerWaalsContact CD1-SG 3.56Å; Y96-C113 HydrophobicContact CE1-CB 4.19Å; C104-C113 WeakPolarHBondContact CA-SG 3.49Å; C104-C113 HydrophobicContact CB-CB 3.75Å; C104-C113 WeakPolarHBondContact CB-SG 3.33Å; C104-C113 WeakPolarHBondContact SG-CA 3.25Å; C104-C113 WeakPolarHBondContact SG-CB 3.23Å; C104-C113 CovalentContact SG-SG 2.05Å; C104-C113 PolarHBondContact SG-SG 2.03Å; W108-C113 HydrophobicContact CB-CB 4.44Å; G110-C113 PolarHBondContact O-N 3.21Å
114	N	96.6	Very high	96.3	Very high	101 Å²	101	51.3 Å²	51.3	54%	0.54	24%	0.236	S	C	.	.			trans	-114.1	1.2	-175.2	66.6	-20.6	0	0	0	113.4	Y112	Y112-N114 PolarHBondContact O-N 2.95Å
115	K	97.6	Very high	96.3	Very high	134 Å²	134	51.5 Å²	51.5	58%	0.583	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.6	173.6	-62.2	-176.6	179.1	-176.1	0	109.3	W108 K109	W108-K115 CarbonylContact C-O 3.6Å; W108-K115 WeakPolarHBondContact CA-O 3.46Å; K109-K115 HydrophobicContact CG-CB 4.06Å; K109-K115 PolarHBondContact N-O 3.28Å; K109-K115 PolarHBondContact O-N 3.13Å
116	R	96	Very high	96.3	Very high	101 Å²	101	51.9 Å²	51.9	38%	0.381	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140	173.6	-67.3	-59.2	-61.1	179.5	0.1	110.6	G107 W108 K109 S446 N447	G107-R116 CarbonylContact O-C 3.53Å; G107-R116 WeakPolarHBondContact O-CA 3.38Å; G107-R116 VanDerWaalsContact O-CZ 3.25Å; G107-R116 PolarHBondContact O-NE 3.2Å; W108-R116 VanDerWaalsContact CZ3-CD 3.47Å; W108-R116 HydrophobicContact CZ3-CG 4.22Å; W108-R116 VanDerWaalsContact NE1-NH1 3.14Å; K109-R116 WeakPolarHBondContact CE-O 3.43Å; R116-S446 PolarHBondContact NH2-O 3.31Å; R116-S446 VanDerWaalsContact NH2-O 3.1Å; R116-N447 PolarHBondContact NH2-O 3.24Å
117	S	95	Very high	96.3	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.063	24%	0.243	C	C	.	.			trans	-109.7	137.2	169.5	-165.9	0	0	0	0	108.6	G107 G449	G107-S117 PolarHBondContact O-N 2.84Å; S117-G449 WeakPolarHBondContact O-CA 3.44Å
118	V	95.5	Very high	96.3	Very high	65 Å²	65	54.9 Å²	54.9	39%	0.394	26%	0.26	S	S	.	.			trans	-122.8	136.3	179.5	175.6	0	0	0	0	108.4	I120 G449 Y451 I476	V118-I120 HydrophobicContact CG1-CG1 4.44Å; V118-G449 CarbonylContact C-O 3.56Å; V118-G449 VanDerWaalsContact CA-O 3.3Å; V118-G449 WeakPolarHBondContact CA-O 3.03Å; V118-Y451 HydrophobicContact CG1-CD2 3.89Å; V118-Y451 HydrophobicContact CG1-CE2 4.14Å; V118-Y451 HydrophobicContact CG2-CE2 4.43Å; V118-I476 HydrophobicContact CG1-CD1 3.66Å
119	R	95.8	Very high	96.3	Very high	28 Å²	28	57.3 Å²	57.3	11%	0.106	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.9	175.5	-69.2	-174	-173.5	120.6	5.3	109.4	E223 F239 A240 G449 V450 Y451	R119-E223 WeakPolarHBondContact CD-OE1 3.4Å; R119-E223 IonicContact NE-OE1 3.54Å; R119-E223 IonicContact NH1-OE1 3.59Å; R119-F239 WeakPolarHBondContact CD-O 3.35Å; R119-A240 HydrophobicContact CB-CB 3.91Å; R119-G449 PolarHBondContact N-O 2.87Å; R119-V450 HydrophobicContact CB-CG2 4.49Å; R119-Y451 PolarHBondContact O-N 2.89Å
120	I	97	Very high	96.4	Very high	21 Å²	21	59.8 Å²	59.8	11%	0.108	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.4	-176.5	-52	173.4	0	0	0	109.8	V118 R122 A240 Y451 D453 I476	V118-I120 HydrophobicContact CG1-CG1 4.44Å; I120-R122 HydrophobicContact CG2-CG 4.48Å; I120-A240 WeakPolarHBondContact O-CB 3.24Å; I120-Y451 CarbonylContact C-O 3.31Å; I120-Y451 WeakPolarHBondContact CA-O 3.31Å; I120-D453 HydrophobicContact CG2-CB 4.22Å; I120-I476 HydrophobicContact CD1-CB 3.73Å; I120-I476 HydrophobicContact CD1-CG2 3.44Å; I120-I476 VanDerWaalsContact CD1-CG2 3.44Å; I120-I476 HydrophobicContact CG1-CB 4.17Å; I120-I476 HydrophobicContact CG1-CG2 4.36Å
121	R	97.8	Very high	96.6	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.8	174.1	-62.6	174.9	161.1	173.4	0.5	108.9	E223 A240 T241 Y243 T394 D397 V450 Y451 Y452 D453	R121-E223 IonicContact CZ-OE2 3.64Å; R121-E223 IonicContact NE-OE2 3.66Å; R121-E223 PolarHBondContact NE-OE2 2.9Å; R121-E223 VanDerWaalsContact NE-OE2 3.16Å; R121-E223 IonicContact NH2-OE2 2.75Å; R121-E223 PolarHBondContact NH2-OE2 3.48Å; R121-A240 HydrophobicContact CG-CB 4.14Å; R121-T241 VanDerWaalsContact CB-O 3.32Å; R121-T241 WeakPolarHBondContact CB-O 3.36Å; R121-T241 VanDerWaalsContact CG-O 3.23Å; R121-T241 WeakPolarHBondContact CG-O 3.41Å; R121-T241 PolarHBondContact NE-OG1 2.77Å; R121-Y243 HydrophobicContact CB-CD1 4.33Å; R121-Y243 WeakPolarHBondContact O-CE1 3.45Å; R121-T394 HydrophobicContact CB-CG2 4.33Å; R121-T394 VanDerWaalsContact CD-CG2 3.47Å; R121-T394 HydrophobicContact CG-CG2 4.22Å; R121-D397 IonicContact NH1-OD2 3.79Å; R121-D397 PolarHBondContact NH1-OD2 3.5Å; R121-V450 HydrophobicContact CG-CG1 4.02Å; R121-Y451 PolarHBondContact N-O 2.95Å; R121-Y452 HydrophobicContact CB-CD1 3.71Å; R121-Y452 HydrophobicContact CB-CE1 3.71Å; R121-Y452 HydrophobicContact CG-CE1 4.43Å; R121-Y452 PolarHBondContact NH1-OH 3.39Å; R121-Y452 WeakPolarHBondContact O-CA 3.48Å; R121-D453 PolarHBondContact O-N 2.89Å; R121-D453 VanDerWaalsContact O-N 3.12Å
122	R	97.5	Very high	97	Very high	35 Å²	35	50.5 Å²	50.5	13%	0.132	24%	0.242	C	C	.	.			trans	-117.4	153.3	-177	-84.7	179.7	-63.3	163.9	0.7	111.5	I120 I124 L127 E131 P242 Y243 D453 Y481	I120-R122 HydrophobicContact CG2-CG 4.48Å; R122-I124 PolarHBondContact O-N 3.45Å; R122-L127 HydrophobicContact CB-CD2 3.86Å; R122-E131 IonicContact CZ-OE1 3.72Å; R122-E131 IonicContact NH1-OE1 3.77Å; R122-E131 PolarHBondContact NH1-OE1 3.26Å; R122-E131 IonicContact NH1-OE2 3.62Å; R122-E131 PolarHBondContact NH1-OE2 3.4Å; R122-E131 VanDerWaalsContact NH2-CD 3.29Å; R122-E131 IonicContact NH2-OE1 2.68Å; R122-E131 PolarHBondContact NH2-OE1 2.84Å; R122-E131 IonicContact NH2-OE2 2.9Å; R122-P242 CarbonylContact O-C 3.45Å; R122-P242 WeakPolarHBondContact O-CA 3.44Å; R122-P242 VanDerWaalsContact O-CB 3.26Å; R122-P242 WeakPolarHBondContact O-CB 3.28Å; R122-Y243 WeakPolarHBondContact O-CD1 3.06Å; R122-Y243 PolarHBondContact O-N 2.72Å; R122-D453 HydrophobicContact CB-CB 4.4Å; R122-D453 HydrophobicContact CG-CB 3.45Å; R122-D453 VanDerWaalsContact CG-CB 3.45Å; R122-Y481 VanDerWaalsContact NH2-CD2 3.28Å
123	D	98.1	Very high	97.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.011	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-61.8	129.6	170.1	-169.6	-70.3	0	0	0	109	R125 T126 Y243 D245	D123-R125 PolarHBondContact O-N 3.41Å; D123-R125 VanDerWaalsContact OD1-CB 3.28Å; D123-R125 WeakPolarHBondContact OD1-CB 3.45Å; D123-R125 IonicContact OD1-CZ 3.05Å; D123-R125 PolarHBondContact OD1-N 2.92Å; D123-R125 IonicContact OD1-NE 2.74Å; D123-R125 PolarHBondContact OD1-NE 2.96Å; D123-R125 IonicContact OD1-NH2 3.1Å; D123-R125 IonicContact OD2-CZ 3.37Å; D123-R125 IonicContact OD2-NE 3.82Å; D123-R125 IonicContact OD2-NH2 3.16Å; D123-R125 PolarHBondContact OD2-NH2 2.87Å; D123-T126 HydrophobicContact CB-CG2 4.2Å; D123-T126 PolarHBondContact O-N 3.13Å; D123-T126 PolarHBondContact O-OG1 2.9Å; D123-Y243 CarbonylContact C-O 3.59Å; D123-Y243 WeakPolarHBondContact CA-O 3.45Å; D123-Y243 HydrophobicContact CB-CD2 4.33Å; D123-Y243 HydrophobicContact CB-CE1 4.42Å; D123-Y243 HydrophobicContact CB-CE2 3.69Å; D123-D245 VanDerWaalsContact OD2-CB 3.31Å; D123-D245 WeakPolarHBondContact OD2-CB 3.47Å; D123-D245 PolarHBondContact OD2-N 3.32Å
124	I	98.5	Very high	97.3	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.7	-176.1	-167.4	170.3	0	0	0	112.7	R122 T126 L127 L132 F135 P242 Y243 W244 I254 Y259 I260 L391	R122-I124 PolarHBondContact O-N 3.45Å; I124-T126 VanDerWaalsContact C-N 3.29Å; I124-T126 PolarHBondContact O-N 3.37Å; I124-L127 HydrophobicContact CG1-CD1 4.39Å; I124-L127 PolarHBondContact O-N 2.68Å; I124-L132 HydrophobicContact CD1-CD2 4.32Å; I124-L132 HydrophobicContact CG1-CD2 3.73Å; I124-F135 HydrophobicContact CD1-CD1 4.38Å; I124-F135 HydrophobicContact CD1-CE1 4.09Å; I124-P242 HydrophobicContact CB-CB 4.03Å; I124-P242 HydrophobicContact CG1-CB 4.38Å; I124-P242 HydrophobicContact CG1-CG 4.39Å; I124-Y243 PolarHBondContact N-O 3.38Å; I124-W244 HydrophobicContact CG2-CB 4.44Å; I124-I254 HydrophobicContact CG2-CB 4.47Å; I124-I254 HydrophobicContact CG2-CD1 4.11Å; I124-I254 HydrophobicContact CG2-CG2 3.72Å; I124-Y259 HydrophobicContact CD1-CD1 4.29Å; I124-Y259 HydrophobicContact CG1-CD1 3.96Å; I124-I260 HydrophobicContact CD1-CG2 4.27Å; I124-L391 HydrophobicContact CD1-CD1 3.53Å; I124-L391 HydrophobicContact CD1-CD2 4Å; I124-L391 HydrophobicContact CD1-CG 4.44Å
125	R	97.8	Very high	97.4	Very high	28 Å²	28	46 Å²	46	11%	0.106	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-73.4	-20	179.1	-66.5	164.9	-69.8	-160.2	-1.1	113.1	D123 D245 D253 I254 F460	D123-R125 PolarHBondContact O-N 3.41Å; D123-R125 VanDerWaalsContact OD1-CB 3.28Å; D123-R125 WeakPolarHBondContact OD1-CB 3.45Å; D123-R125 IonicContact OD1-CZ 3.05Å; D123-R125 PolarHBondContact OD1-N 2.92Å; D123-R125 IonicContact OD1-NE 2.74Å; D123-R125 PolarHBondContact OD1-NE 2.96Å; D123-R125 IonicContact OD1-NH2 3.1Å; D123-R125 IonicContact OD2-CZ 3.37Å; D123-R125 IonicContact OD2-NE 3.82Å; D123-R125 IonicContact OD2-NH2 3.16Å; D123-R125 PolarHBondContact OD2-NH2 2.87Å; R125-D245 PolarHBondContact NH1-O 3.11Å; R125-D245 PolarHBondContact NH2-O 3.12Å; R125-D253 VanDerWaalsContact CD-OD2 3.24Å; R125-D253 WeakPolarHBondContact CD-OD2 3.47Å; R125-D253 IonicContact CZ-OD2 3.72Å; R125-D253 IonicContact NE-OD2 2.72Å; R125-D253 IonicContact NH1-OD1 3.66Å; R125-D253 IonicContact NH1-OD2 2.76Å; R125-D253 PolarHBondContact NH1-OD2 2.52Å; R125-I254 HydrophobicContact CG-CG2 3.78Å; R125-F460 HydrophobicContact CB-CE1 4.49Å; R125-F460 HydrophobicContact CB-CE2 4.5Å; R125-F460 HydrophobicContact CB-CZ 4.11Å; R125-F460 VanDerWaalsContact NH1-CB 3.31Å
126	T	96.8	Very high	97.4	Very high	52 Å²	52	41.1 Å²	41.1	32%	0.319	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-91.5	-6.4	178.3	68.9	0	0	0	0	113	D123 I124 F460	D123-T126 HydrophobicContact CB-CG2 4.2Å; D123-T126 PolarHBondContact O-N 3.13Å; D123-T126 PolarHBondContact O-OG1 2.9Å; I124-T126 VanDerWaalsContact C-N 3.29Å; I124-T126 PolarHBondContact O-N 3.37Å; T126-F460 HydrophobicContact CG2-CZ 4.35Å
127	L	97.2	Very high	97.5	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.058	19%	0.192	C	C	.	.			trans	-70.1	140.3	176.2	-63	-171.8	0	0	0	112.1	R122 I124 E131 L132 P242	R122-L127 HydrophobicContact CB-CD2 3.86Å; I124-L127 HydrophobicContact CG1-CD1 4.39Å; I124-L127 PolarHBondContact O-N 2.68Å; L127-E131 HydrophobicContact CB-CB 4.06Å; L127-E131 HydrophobicContact CD1-CB 4.43Å; L127-E131 HydrophobicContact CD2-CB 4.27Å; L127-E131 HydrophobicContact CG-CB 4.49Å; L127-L132 HydrophobicContact CB-CD2 3.97Å; L127-L132 HydrophobicContact CB-CG 3.88Å; L127-L132 HydrophobicContact CD1-CD2 4.05Å; L127-P242 HydrophobicContact CD1-CB 3.93Å; L127-P242 HydrophobicContact CD1-CG 4.05Å
128	S	97.1	Very high	97.7	Very high	54 Å²	54	37.4 Å²	37.4	38%	0.378	19%	0.189	S	C	.	.			trans	-67.4	164.2	169.6	67.6	0	0	0	0	111.8	K130 E131 L132	S128-K130 PolarHBondContact O-N 3.18Å; S128-E131 WeakPolarHBondContact CB-OE2 3.48Å; S128-E131 PolarHBondContact N-OE2 3.39Å; S128-E131 PolarHBondContact O-N 3.21Å; S128-E131 VanDerWaalsContact O-N 3.15Å; S128-E131 WeakPolarHBondContact OG-CG 3.49Å; S128-E131 PolarHBondContact OG-N 3.02Å; S128-E131 PolarHBondContact OG-OE2 3.31Å; S128-L132 WeakPolarHBondContact O-CG 3.01Å; S128-L132 PolarHBondContact O-N 3.33Å
129	N	97.9	Very high	97.8	Very high	120 Å²	120	34.4 Å²	34.4	64%	0.642	17%	0.17	S	C	*	.	H	α-helix	trans	-59.2	-34.4	176.9	-68.9	-20.8	0	0	0	112.7	H133	N129-H133 WeakPolarHBondContact O-CB 3.42Å; N129-H133 PolarHBondContact O-N 3.46Å
130	K	97.8	Very high	98	Very high	152 Å²	152	35.5 Å²	35.5	66%	0.661	18%	0.18	S	C	*	.	H	α-helix	trans	-65.5	-45.3	176	-176.1	-176.6	176.3	-169.8	0	111.1	S128 H133 I134	S128-K130 PolarHBondContact O-N 3.18Å; K130-H133 WeakPolarHBondContact O-CB 3.42Å; K130-H133 PolarHBondContact O-N 2.89Å; K130-I134 HydrophobicContact CG-CD1 4.14Å; K130-I134 WeakPolarHBondContact O-CD1 3.38Å; K130-I134 WeakPolarHBondContact O-CG1 3.07Å; K130-I134 PolarHBondContact O-N 2.68Å
131	E	97.6	Very high	98.1	Very high	22 Å²	22	36.9 Å²	36.9	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-40.1	-179	-66	164.7	139.3	0	0	111.6	R122 L127 S128 H133 I134 F135 Y481	R122-E131 IonicContact CZ-OE1 3.72Å; R122-E131 IonicContact NH1-OE1 3.77Å; R122-E131 PolarHBondContact NH1-OE1 3.26Å; R122-E131 IonicContact NH1-OE2 3.62Å; R122-E131 PolarHBondContact NH1-OE2 3.4Å; R122-E131 VanDerWaalsContact NH2-CD 3.29Å; R122-E131 IonicContact NH2-OE1 2.68Å; R122-E131 PolarHBondContact NH2-OE1 2.84Å; R122-E131 IonicContact NH2-OE2 2.9Å; L127-E131 HydrophobicContact CB-CB 4.06Å; L127-E131 HydrophobicContact CD1-CB 4.43Å; L127-E131 HydrophobicContact CD2-CB 4.27Å; L127-E131 HydrophobicContact CG-CB 4.49Å; S128-E131 WeakPolarHBondContact CB-OE2 3.48Å; S128-E131 PolarHBondContact N-OE2 3.39Å; S128-E131 PolarHBondContact O-N 3.21Å; S128-E131 VanDerWaalsContact O-N 3.15Å; S128-E131 WeakPolarHBondContact OG-CG 3.49Å; S128-E131 PolarHBondContact OG-N 3.02Å; S128-E131 PolarHBondContact OG-OE2 3.31Å; E131-H133 VanDerWaalsContact C-N 3.32Å; E131-H133 PolarHBondContact O-N 3.41Å; E131-I134 PolarHBondContact O-N 3.37Å; E131-F135 PolarHBondContact O-N 3.02Å; E131-Y481 HydrophobicContact CG-CD2 4.06Å
132	L	98.3	Very high	98.1	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-42.1	170.8	-72	173.6	0	0	0	111.5	I124 L127 S128 F135 K136 R258 Y259	I124-L132 HydrophobicContact CD1-CD2 4.32Å; I124-L132 HydrophobicContact CG1-CD2 3.73Å; L127-L132 HydrophobicContact CB-CD2 3.97Å; L127-L132 HydrophobicContact CB-CG 3.88Å; L127-L132 HydrophobicContact CD1-CD2 4.05Å; S128-L132 WeakPolarHBondContact O-CG 3.01Å; S128-L132 PolarHBondContact O-N 3.33Å; L132-F135 PolarHBondContact O-N 2.57Å; L132-K136 WeakPolarHBondContact O-CB 3.45Å; L132-K136 WeakPolarHBondContact O-CG 3.33Å; L132-K136 PolarHBondContact O-N 3.02Å; L132-R258 HydrophobicContact CD1-CG 4.34Å; L132-Y259 HydrophobicContact CD1-CD1 3.97Å; L132-Y259 HydrophobicContact CD1-CE1 3.8Å; L132-Y259 HydrophobicContact CD2-CD1 3.71Å; L132-Y259 HydrophobicContact CD2-CE1 4.12Å
133	H	98.3	Very high	98.1	Very high	113 Å²	113	36.2 Å²	36.2	52%	0.523	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-44.2	176.4	176.8	69.9	0	0	0	112.1	N129 K130 E131 T137	N129-H133 WeakPolarHBondContact O-CB 3.42Å; N129-H133 PolarHBondContact O-N 3.46Å; K130-H133 WeakPolarHBondContact O-CB 3.42Å; K130-H133 PolarHBondContact O-N 2.89Å; E131-H133 VanDerWaalsContact C-N 3.32Å; E131-H133 PolarHBondContact O-N 3.41Å; H133-T137 VanDerWaalsContact O-CB 3.28Å; H133-T137 WeakPolarHBondContact O-CB 3.44Å; H133-T137 PolarHBondContact O-N 3.16Å; H133-T137 PolarHBondContact O-OG1 3.09Å
134	I	98.4	Very high	98.1	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-52.5	175.2	-69.3	154.3	0	0	0	110.5	K130 E131 K136 T137 V138 F234 I236 F239	K130-I134 HydrophobicContact CG-CD1 4.14Å; K130-I134 WeakPolarHBondContact O-CD1 3.38Å; K130-I134 WeakPolarHBondContact O-CG1 3.07Å; K130-I134 PolarHBondContact O-N 2.68Å; E131-I134 PolarHBondContact O-N 3.37Å; I134-K136 PolarHBondContact O-N 3.05Å; I134-T137 PolarHBondContact O-N 2.81Å; I134-V138 HydrophobicContact CG2-CG2 4.37Å; I134-V138 VanDerWaalsContact O-CG2 3.31Å; I134-V138 WeakPolarHBondContact O-CG2 3.13Å; I134-V138 PolarHBondContact O-N 3.49Å; I134-F234 HydrophobicContact CB-CD2 4.48Å; I134-F234 HydrophobicContact CB-CE2 4.34Å; I134-F234 HydrophobicContact CG1-CD1 4.07Å; I134-F234 HydrophobicContact CG1-CD2 4.21Å; I134-F234 HydrophobicContact CG1-CE1 4.11Å; I134-F234 HydrophobicContact CG1-CE2 4.25Å; I134-F234 HydrophobicContact CG1-CG 4.11Å; I134-F234 HydrophobicContact CG1-CZ 4.2Å; I134-F234 HydrophobicContact CG2-CD2 3.94Å; I134-F234 HydrophobicContact CG2-CE2 4.1Å; I134-I236 HydrophobicContact CD1-CD1 3.45Å; I134-I236 VanDerWaalsContact CD1-CD1 3.45Å; I134-I236 HydrophobicContact CG1-CD1 4.09Å; I134-I236 HydrophobicContact CG2-CD1 3.93Å; I134-F239 HydrophobicContact CG2-CD2 4.35Å; I134-F239 HydrophobicContact CG2-CE2 4.38Å
135	F	98.5	Very high	98.1	Very high	4 Å²	4	45 Å²	45	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-56.5	-50.2	-180	171.9	-109	0	0	0	111.9	I124 E131 L132 T137 V138 I139 F239 P242 I390 L391	I124-F135 HydrophobicContact CD1-CD1 4.38Å; I124-F135 HydrophobicContact CD1-CE1 4.09Å; E131-F135 PolarHBondContact O-N 3.02Å; L132-F135 PolarHBondContact O-N 2.57Å; F135-T137 VanDerWaalsContact C-N 3.33Å; F135-T137 PolarHBondContact O-N 3.49Å; F135-V138 PolarHBondContact O-N 3.13Å; F135-I139 HydrophobicContact CD2-CG1 4.3Å; F135-I139 HydrophobicContact CE1-CG1 4.41Å; F135-I139 HydrophobicContact CE2-CD1 4.09Å; F135-I139 HydrophobicContact CE2-CG1 3.85Å; F135-I139 HydrophobicContact CZ-CD1 4.27Å; F135-I139 HydrophobicContact CZ-CG1 3.91Å; F135-I139 WeakPolarHBondContact O-CG1 3.46Å; F135-I139 PolarHBondContact O-N 3.43Å; F135-I139 VanDerWaalsContact O-N 3.1Å; F135-F239 HydrophobicContact CD2-CZ 4.3Å; F135-P242 HydrophobicContact CD1-CG 4.31Å; F135-P242 HydrophobicContact CD2-CG 3.82Å; F135-P242 HydrophobicContact CE1-CG 4.36Å; F135-P242 HydrophobicContact CE2-CG 3.88Å; F135-P242 HydrophobicContact CG-CG 4.05Å; F135-P242 HydrophobicContact CZ-CG 4.16Å; F135-I390 HydrophobicContact CZ-CG2 4.33Å; F135-L391 HydrophobicContact CE1-CD2 4.27Å; F135-L391 HydrophobicContact CE2-CD2 4.48Å; F135-L391 HydrophobicContact CZ-CD2 3.82Å; F135-L391 HydrophobicContact CZ-CG 4.47Å
136	K	98.6	Very high	98.1	Very high	31 Å²	31	48 Å²	48	14%	0.135	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-41.2	179.5	-65	171.5	78.8	170.5	0	111.6	L132 I134 I139 V140 N257 R258 Y259 P278 F279	L132-K136 WeakPolarHBondContact O-CB 3.45Å; L132-K136 WeakPolarHBondContact O-CG 3.33Å; L132-K136 PolarHBondContact O-N 3.02Å; I134-K136 PolarHBondContact O-N 3.05Å; K136-I139 PolarHBondContact O-N 2.85Å; K136-V140 VanDerWaalsContact O-CG2 3.28Å; K136-V140 WeakPolarHBondContact O-CG2 3.37Å; K136-V140 PolarHBondContact O-N 3.39Å; K136-N257 PolarHBondContact NZ-O 3.06Å; K136-R258 PolarHBondContact NZ-O 3.12Å; K136-Y259 VanDerWaalsContact CE-O 3.31Å; K136-Y259 WeakPolarHBondContact CE-O 3.1Å; K136-P278 HydrophobicContact CB-CG 4.46Å; K136-F279 HydrophobicContact CB-CE1 4.22Å; K136-F279 HydrophobicContact CB-CZ 3.75Å; K136-F279 HydrophobicContact CG-CE2 3.99Å; K136-F279 HydrophobicContact CG-CZ 3.58Å
137	T	98.6	Very high	98	Very high	32 Å²	32	45.9 Å²	45.9	20%	0.196	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-43.1	178.4	-57.7	0	0	0	0	111.6	H133 I134 F135 I139 V140 L141 F234	H133-T137 VanDerWaalsContact O-CB 3.28Å; H133-T137 WeakPolarHBondContact O-CB 3.44Å; H133-T137 PolarHBondContact O-N 3.16Å; H133-T137 PolarHBondContact O-OG1 3.09Å; I134-T137 PolarHBondContact O-N 2.81Å; F135-T137 VanDerWaalsContact C-N 3.33Å; F135-T137 PolarHBondContact O-N 3.49Å; T137-I139 PolarHBondContact O-N 2.86Å; T137-V140 PolarHBondContact O-N 2.83Å; T137-L141 HydrophobicContact CG2-CD1 3.81Å; T137-L141 HydrophobicContact CG2-CG 4.2Å; T137-L141 WeakPolarHBondContact O-CB 3.38Å; T137-L141 VanDerWaalsContact O-CG 3.3Å; T137-L141 WeakPolarHBondContact O-CG 3.15Å; T137-L141 PolarHBondContact O-N 2.62Å; T137-F234 HydrophobicContact CG2-CE2 3.98Å; T137-F234 HydrophobicContact CG2-CZ 3.73Å
138	V	98.7	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-41.6	178.2	170.1	0	0	0	0	111.6	I134 F135 L141 S142 M226 I229 A230 F234 F239	I134-V138 HydrophobicContact CG2-CG2 4.37Å; I134-V138 VanDerWaalsContact O-CG2 3.31Å; I134-V138 WeakPolarHBondContact O-CG2 3.13Å; I134-V138 PolarHBondContact O-N 3.49Å; F135-V138 PolarHBondContact O-N 3.13Å; V138-L141 PolarHBondContact O-N 2.8Å; V138-S142 WeakPolarHBondContact O-CB 3.14Å; V138-S142 PolarHBondContact O-N 2.68Å; V138-M226 HydrophobicContact CG1-CB 3.56Å; V138-M226 HydrophobicContact CG1-CG 3.68Å; V138-M226 HydrophobicContact CG1-SD 3.96Å; V138-I229 HydrophobicContact CG1-CB 4.27Å; V138-I229 HydrophobicContact CG1-CD1 4.49Å; V138-I229 HydrophobicContact CG1-CG2 4.46Å; V138-I229 HydrophobicContact CG2-CG2 4.32Å; V138-A230 HydrophobicContact CG2-CB 3.98Å; V138-F234 HydrophobicContact CG2-CE2 4.35Å; V138-F239 HydrophobicContact CB-CE2 4.38Å; V138-F239 HydrophobicContact CB-CZ 4.46Å; V138-F239 HydrophobicContact CG1-CE2 4.39Å; V138-F239 HydrophobicContact CG1-CZ 4.09Å; V138-F239 HydrophobicContact CG2-CE2 4.18Å
139	I	98.6	Very high	97.8	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-38.1	175.3	-66.3	-69.9	0	0	0	112.2	F135 K136 T137 S142 M226 F279 L282 P387	F135-I139 HydrophobicContact CD2-CG1 4.3Å; F135-I139 HydrophobicContact CE1-CG1 4.41Å; F135-I139 HydrophobicContact CE2-CD1 4.09Å; F135-I139 HydrophobicContact CE2-CG1 3.85Å; F135-I139 HydrophobicContact CZ-CD1 4.27Å; F135-I139 HydrophobicContact CZ-CG1 3.91Å; F135-I139 WeakPolarHBondContact O-CG1 3.46Å; F135-I139 PolarHBondContact O-N 3.43Å; F135-I139 VanDerWaalsContact O-N 3.1Å; K136-I139 PolarHBondContact O-N 2.85Å; T137-I139 PolarHBondContact O-N 2.86Å; I139-S142 PolarHBondContact O-OG 3.07Å; I139-M226 HydrophobicContact CD1-SD 3.65Å; I139-F279 HydrophobicContact CB-CE1 3.88Å; I139-F279 HydrophobicContact CB-CZ 4.38Å; I139-F279 HydrophobicContact CG2-CD1 4.1Å; I139-F279 HydrophobicContact CG2-CE1 3.55Å; I139-F279 HydrophobicContact CG2-CZ 4.23Å; I139-L282 HydrophobicContact CG2-CD1 4.28Å; I139-P387 HydrophobicContact CG2-CB 4.19Å; I139-P387 HydrophobicContact CG2-CG 3.79Å
140	V	98.7	Very high	97.5	Very high	52 Å²	52	39.4 Å²	39.4	32%	0.315	21%	0.209	S	C	.	.	H	α-helix	trans	-68	-45.1	176.2	170.6	0	0	0	0	110.6	K136 T137 S142 Q143 P278 F279	K136-V140 VanDerWaalsContact O-CG2 3.28Å; K136-V140 WeakPolarHBondContact O-CG2 3.37Å; K136-V140 PolarHBondContact O-N 3.39Å; T137-V140 PolarHBondContact O-N 2.83Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-S142 PolarHBondContact O-N 2.8Å; V140-Q143 WeakPolarHBondContact O-CB 3.31Å; V140-Q143 VanDerWaalsContact O-CG 3.26Å; V140-Q143 WeakPolarHBondContact O-CG 3.31Å; V140-Q143 PolarHBondContact O-N 2.97Å; V140-P278 HydrophobicContact CG2-CB 3.95Å; V140-F279 HydrophobicContact CG2-CD1 3.98Å; V140-F279 HydrophobicContact CG2-CE1 3.96Å
141	L	98.7	Very high	97.2	Very high	50 Å²	50	32.1 Å²	32.1	26%	0.262	18%	0.177	S	C	.	.	H	α-helix	trans	-67.3	-30.6	179.5	-70.1	177.1	0	0	0	112.2	T137 V138 Q143 T144 W145 I229 V233	T137-L141 HydrophobicContact CG2-CD1 3.81Å; T137-L141 HydrophobicContact CG2-CG 4.2Å; T137-L141 WeakPolarHBondContact O-CB 3.38Å; T137-L141 VanDerWaalsContact O-CG 3.3Å; T137-L141 WeakPolarHBondContact O-CG 3.15Å; T137-L141 PolarHBondContact O-N 2.62Å; V138-L141 PolarHBondContact O-N 2.8Å; L141-Q143 PolarHBondContact O-N 3.46Å; L141-Q143 VanDerWaalsContact O-N 3.09Å; L141-T144 PolarHBondContact O-N 3.3Å; L141-T144 VanDerWaalsContact O-N 3.11Å; L141-W145 HydrophobicContact CB-CE3 4.27Å; L141-W145 HydrophobicContact CD1-CZ3 4.38Å; L141-W145 VanDerWaalsContact O-CB 3.28Å; L141-W145 WeakPolarHBondContact O-CB 3.43Å; L141-W145 PolarHBondContact O-N 3.46Å; L141-I229 HydrophobicContact CB-CG2 3.96Å; L141-I229 HydrophobicContact CD1-CG2 3.92Å; L141-V233 HydrophobicContact CD1-CG1 4.37Å; L141-V233 HydrophobicContact CD1-CG2 3.74Å
142	S	98.4	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-22.3	177.8	76	0	0	0	0	113.2	V138 I139 V140 T144 S172 V173 Q174	V138-S142 WeakPolarHBondContact O-CB 3.14Å; V138-S142 PolarHBondContact O-N 2.68Å; I139-S142 PolarHBondContact O-OG 3.07Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-S142 PolarHBondContact O-N 2.8Å; S142-T144 PolarHBondContact O-N 3.37Å; S142-S172 WeakPolarHBondContact O-CB 3.33Å; S142-S172 PolarHBondContact O-OG 3.47Å; S142-V173 PolarHBondContact O-N 3.46Å; S142-Q174 PolarHBondContact O-N 2.79Å; S142-Q174 PolarHBondContact OG-OE1 3.22Å
143	Q	98	Very high	96.5	Very high	23 Å²	23	32 Å²	32	11%	0.107	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.4	177	-60.2	-61.9	-55.4	0	0	113.2	V140 L141 S172 L282	V140-Q143 WeakPolarHBondContact O-CB 3.31Å; V140-Q143 VanDerWaalsContact O-CG 3.26Å; V140-Q143 WeakPolarHBondContact O-CG 3.31Å; V140-Q143 PolarHBondContact O-N 2.97Å; L141-Q143 PolarHBondContact O-N 3.46Å; L141-Q143 VanDerWaalsContact O-N 3.09Å; Q143-S172 VanDerWaalsContact C-CB 3.43Å; Q143-S172 WeakPolarHBondContact O-CB 3.41Å; Q143-S172 PolarHBondContact O-OG 3.49Å; Q143-L282 HydrophobicContact CG-CD2 3.46Å; Q143-L282 VanDerWaalsContact CG-CD2 3.46Å
144	T	97.6	Very high	96.1	Very high	116 Å²	116	26.7 Å²	26.7	71%	0.712	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-9.6	-176	59.7	0	0	0	0	113.3	L141 S142	L141-T144 PolarHBondContact O-N 3.3Å; L141-T144 VanDerWaalsContact O-N 3.11Å; S142-T144 PolarHBondContact O-N 3.37Å
145	W	98.3	Very high	95.6	Very high	70 Å²	70	26.8 Å²	26.8	27%	0.265	15%	0.154	S	C	.	.	S	Bend	trans	-70.2	127.4	179.6	-159.9	-78.1	0	0	0	111	L141 S147 S172 V173 I229 K232 V233	L141-W145 HydrophobicContact CB-CE3 4.27Å; L141-W145 HydrophobicContact CD1-CZ3 4.38Å; L141-W145 VanDerWaalsContact O-CB 3.28Å; L141-W145 WeakPolarHBondContact O-CB 3.43Å; L141-W145 PolarHBondContact O-N 3.46Å; W145-S147 PolarHBondContact O-N 2.89Å; W145-S172 CarbonylContact O-C 3.19Å; W145-S172 WeakPolarHBondContact O-CA 3.3Å; W145-S172 WeakPolarHBondContact O-CB 3.29Å; W145-V173 HydrophobicContact CB-CG2 4.37Å; W145-V173 PolarHBondContact O-N 3.32Å; W145-I229 HydrophobicContact CB-CD1 3.75Å; W145-I229 HydrophobicContact CB-CG1 4.23Å; W145-I229 HydrophobicContact CD2-CB 4.39Å; W145-I229 HydrophobicContact CD2-CD1 4.12Å; W145-I229 HydrophobicContact CD2-CG1 3.67Å; W145-I229 HydrophobicContact CD2-CG2 4.24Å; W145-I229 HydrophobicContact CE3-CB 4.48Å; W145-I229 HydrophobicContact CE3-CG1 4.17Å; W145-I229 HydrophobicContact CE3-CG2 3.85Å; W145-I229 HydrophobicContact CG-CD1 3.77Å; W145-I229 HydrophobicContact CG-CG1 3.68Å; W145-I229 HydrophobicContact CH2-CG2 4.36Å; W145-I229 HydrophobicContact CZ3-CG2 3.92Å; W145-K232 HydrophobicContact CH2-CB 3.81Å; W145-K232 HydrophobicContact CH2-CG 3.65Å; W145-K232 HydrophobicContact CZ2-CB 3.89Å; W145-K232 HydrophobicContact CZ2-CG 3.88Å; W145-V233 HydrophobicContact CH2-CG2 3.96Å; W145-V233 HydrophobicContact CZ3-CG2 3.84Å
146	P	97.1	Very high	95.1	Very high	93 Å²	93	29 Å²	29	60%	0.604	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	131.1	-179.9	-24.7	33.8	0	0	0	112.3
147	S	96.5	Very high	94.6	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-21.9	179.5	66.8	0	0	0	0	113.5	W145 Y149 A171	W145-S147 PolarHBondContact O-N 2.89Å; S147-Y149 WeakPolarHBondContact O-CD2 3.05Å; S147-Y149 PolarHBondContact O-N 3.48Å; S147-Y149 PolarHBondContact OG-N 3.3Å; S147-Y149 VanDerWaalsContact OG-N 3.09Å; S147-Y149 PolarHBondContact OG-O 3.17Å; S147-A171 WeakPolarHBondContact CB-O 3.37Å; S147-A171 PolarHBondContact N-O 3.3Å; S147-A171 PolarHBondContact OG-O 3.22Å
148	G	93.8	Very high	93.9	Very high	27 Å²	27	34.8 Å²	34.8	28%	0.278	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.7	5.8	-166.9	0	0	0	0	0	113.2	E27	E27-G148 WeakPolarHBondContact CG-O 3.08Å; E27-G148 PolarHBondContact N-O 3.41Å
149	Y	95.1	Very high	93.2	Very high	20 Å²	20	38 Å²	38	8%	0.078	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	162.3	168.3	-57.3	-94.9	0	0	0	106.5	M24 P26 S147 Y176 L225 I433	M24-Y149 WeakPolarHBondContact O-CD1 3.25Å; P26-Y149 HydrophobicContact CG-CD1 4.44Å; P26-Y149 HydrophobicContact CG-CE1 4.11Å; S147-Y149 WeakPolarHBondContact O-CD2 3.05Å; S147-Y149 PolarHBondContact O-N 3.48Å; S147-Y149 PolarHBondContact OG-N 3.3Å; S147-Y149 VanDerWaalsContact OG-N 3.09Å; S147-Y149 PolarHBondContact OG-O 3.17Å; Y149-Y176 AromaticContact CD1-CE2 3.83Å; Y149-Y176 HydrophobicContact CD1-CE2 3.83Å; Y149-Y176 AromaticContact CD1-CZ 3.7Å; Y149-Y176 WeakPolarHBondContact CD1-OH 3.06Å; Y149-Y176 HydrophobicContact CD2-CD1 4.01Å; Y149-Y176 HydrophobicContact CD2-CD2 4.37Å; Y149-Y176 AromaticContact CD2-CE1 3.63Å; Y149-Y176 HydrophobicContact CD2-CE1 3.63Å; Y149-Y176 HydrophobicContact CD2-CE2 4.05Å; Y149-Y176 HydrophobicContact CD2-CG 4.35Å; Y149-Y176 AromaticContact CD2-CZ 3.63Å; Y149-Y176 WeakPolarHBondContact CE1-OH 2.83Å; Y149-Y176 AromaticContact CE2-CE1 3.9Å; Y149-Y176 HydrophobicContact CE2-CE1 3.9Å; Y149-Y176 HydrophobicContact CG-CD1 4.43Å; Y149-Y176 AromaticContact CG-CD2 3.99Å; Y149-Y176 HydrophobicContact CG-CD2 3.99Å; Y149-Y176 AromaticContact CG-CE1 3.99Å; Y149-Y176 HydrophobicContact CG-CE1 3.99Å; Y149-Y176 AromaticContact CG-CE2 3.52Å; Y149-Y176 HydrophobicContact CG-CE2 3.52Å; Y149-Y176 HydrophobicContact CG-CG 4.41Å; Y149-Y176 AromaticContact CG-CZ 3.49Å; Y149-Y176 VanDerWaalsContact CG-CZ 3.49Å; Y149-L225 HydrophobicContact CE2-CD2 4.37Å; Y149-I433 VanDerWaalsContact CE1-O 3.29Å; Y149-I433 WeakPolarHBondContact CE1-O 3.43Å; Y149-I433 PolarHBondContact OH-O 2.89Å
150	L	91.5	Very high	92.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-161.2	173	-28.9	96	0	0	0	107.6	Y22 G23 M24 I25 E27 E169 H170	Y22-L150 VanDerWaalsContact CB-CD1 3.43Å; Y22-L150 WeakPolarHBondContact O-CB 3.44Å; Y22-L150 WeakPolarHBondContact O-CD2 3.41Å; Y22-L150 WeakPolarHBondContact O-CG 3.02Å; G23-L150 VanDerWaalsContact C-CA 3.41Å; G23-L150 VanDerWaalsContact C-CB 3.49Å; G23-L150 CarbonylContact C-O 3.43Å; G23-L150 VanDerWaalsContact CA-C 3.45Å; G23-L150 VanDerWaalsContact N-CB 3.3Å; G23-L150 VanDerWaalsContact N-CD1 3.29Å; G23-L150 CarbonylContact O-C 3.55Å; G23-L150 WeakPolarHBondContact O-CA 3.44Å; G23-L150 WeakPolarHBondContact O-CB 3.46Å; G23-L150 WeakPolarHBondContact O-CD1 3.5Å; G23-L150 PolarHBondContact O-N 2.88Å; G23-L150 VanDerWaalsContact O-O 3.12Å; M24-L150 WeakPolarHBondContact CA-O 3.22Å; M24-L150 PolarHBondContact N-O 2.86Å; I25-L150 PolarHBondContact O-N 3.14Å; E27-L150 VanDerWaalsContact CA-CD1 3.49Å; E27-L150 HydrophobicContact CB-CD1 4.06Å; E27-L150 HydrophobicContact CG-CD1 3.47Å; E27-L150 VanDerWaalsContact CG-CD1 3.47Å; E27-L150 HydrophobicContact CG-CD2 3.91Å; E27-L150 HydrophobicContact CG-CG 3.62Å; L150-E169 CarbonylContact C-O 3.32Å; L150-E169 WeakPolarHBondContact CA-O 3.04Å; L150-E169 WeakPolarHBondContact CB-O 3.3Å; L150-H170 HydrophobicContact CD2-CB 4.45Å; L150-H170 WeakPolarHBondContact CD2-CE1 3.33Å; L150-H170 VanDerWaalsContact CD2-ND1 3.31Å; L150-H170 WeakPolarHBondContact CD2-ND1 3.04Å
151	L	92.5	Very high	91.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.1	179.7	-60.2	175	0	0	0	111.9	G23 M24 L168 E169 A171 Y175 Y176 Y179	G23-L151 VanDerWaalsContact CA-O 3.25Å; G23-L151 WeakPolarHBondContact CA-O 3.37Å; M24-L151 VanDerWaalsContact N-CA 3.25Å; L151-L168 CarbonylContact O-C 3.48Å; L151-L168 WeakPolarHBondContact O-CA 3.15Å; L151-E169 HydrophobicContact CB-CG 4.02Å; L151-E169 PolarHBondContact N-O 3.22Å; L151-E169 PolarHBondContact O-N 3.39Å; L151-A171 HydrophobicContact CD1-CB 3.67Å; L151-A171 HydrophobicContact CD2-CB 4.21Å; L151-A171 HydrophobicContact CG-CB 3.64Å; L151-Y175 HydrophobicContact CD1-CD1 3.62Å; L151-Y175 HydrophobicContact CD1-CD2 3.82Å; L151-Y175 HydrophobicContact CD1-CE1 3.4Å; L151-Y175 VanDerWaalsContact CD1-CE1 3.4Å; L151-Y175 HydrophobicContact CD1-CE2 3.62Å; L151-Y175 HydrophobicContact CD1-CG 3.82Å; L151-Y176 HydrophobicContact CD2-CD2 4.12Å; L151-Y179 HydrophobicContact CB-CD2 4.08Å; L151-Y179 HydrophobicContact CB-CE2 4.07Å; L151-Y179 HydrophobicContact CB-CG 4.43Å; L151-Y179 HydrophobicContact CD1-CD2 3.75Å; L151-Y179 HydrophobicContact CD1-CG 3.93Å; L151-Y179 VanDerWaalsContact CD2-CB 3.48Å; L151-Y179 HydrophobicContact CD2-CD1 3.45Å; L151-Y179 VanDerWaalsContact CD2-CD1 3.45Å; L151-Y179 HydrophobicContact CD2-CD2 3.8Å; L151-Y179 HydrophobicContact CD2-CE1 4.09Å; L151-Y179 HydrophobicContact CD2-CE2 4.37Å; L151-Y179 HydrophobicContact CD2-CG 3.28Å; L151-Y179 HydrophobicContact CG-CD2 4.09Å; L151-Y179 HydrophobicContact CG-CG 4.07Å
152	V	90.7	Very high	89.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.7	167.7	-176	0	0	0	0	108.1	M24 Y85 E154 P166 L168 Y179 Q299	M24-V152 HydrophobicContact CE-CG2 4.27Å; M24-V152 HydrophobicContact CG-CG2 4.29Å; Y85-V152 HydrophobicContact CE1-CG2 3.93Å; V152-E154 PolarHBondContact O-N 2.85Å; V152-E154 VanDerWaalsContact O-N 3.1Å; V152-P166 HydrophobicContact CG1-CB 4.36Å; V152-L168 HydrophobicContact CB-CD2 4.34Å; V152-L168 HydrophobicContact CG2-CD2 3.86Å; V152-Y179 WeakPolarHBondContact CB-OH 3.26Å; V152-Y179 WeakPolarHBondContact O-CE2 3.2Å; V152-Y179 PolarHBondContact O-OH 3.11Å; V152-Q299 PolarHBondContact O-NE2 3.17Å
153	D	89.6	Confident	88.4	Confident	24 Å²	24	39.2 Å²	39.2	13%	0.128	21%	0.206	C	C	.	.			trans	-71.9	101	175.9	176.2	7.2	0	0	0	109.7	S155 Y159 R167	D153-S155 VanDerWaalsContact C-N 3.34Å; D153-S155 WeakPolarHBondContact OD1-CA 3.43Å; D153-S155 WeakPolarHBondContact OD1-CB 3.47Å; D153-S155 PolarHBondContact OD1-N 3.08Å; D153-S155 PolarHBondContact OD1-OG 3.23Å; D153-S155 PolarHBondContact OD2-OG 3.26Å; D153-Y159 WeakPolarHBondContact O-CB 3.46Å; D153-R167 HydrophobicContact CB-CB 3.61Å; D153-R167 PolarHBondContact N-O 3.35Å
154	E	90.3	Very high	87.1	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.238	C	C	.	.			trans	-97.3	21.4	174.6	-45.6	-176.7	145	0	0	112.2	V152 N156 V160 Y179 Y183 R186 L189 G297 C298	V152-E154 PolarHBondContact O-N 2.85Å; V152-E154 VanDerWaalsContact O-N 3.1Å; E154-N156 PolarHBondContact O-N 3.33Å; E154-V160 HydrophobicContact CB-CG2 3.97Å; E154-V160 HydrophobicContact CG-CG2 3.89Å; E154-Y179 VanDerWaalsContact CD-OH 3.25Å; E154-Y179 HydrophobicContact CG-CE2 4.1Å; E154-Y179 WeakPolarHBondContact CG-OH 3.44Å; E154-Y179 PolarHBondContact OE1-OH 3.43Å; E154-Y179 VanDerWaalsContact OE1-OH 3.1Å; E154-Y183 WeakPolarHBondContact OE1-CD2 3.29Å; E154-R186 VanDerWaalsContact CD-NE 3.31Å; E154-R186 IonicContact OE1-CZ 3.41Å; E154-R186 IonicContact OE1-NE 3.67Å; E154-R186 PolarHBondContact OE1-NE 2.6Å; E154-R186 IonicContact OE1-NH2 3.65Å; E154-R186 PolarHBondContact OE1-NH2 2.89Å; E154-R186 IonicContact OE2-NE 2.88Å; E154-R186 PolarHBondContact OE2-NE 2.05Å; E154-R186 VanDerWaalsContact OE2-NE 3.16Å; E154-L189 HydrophobicContact CB-CD1 4.25Å; E154-L189 HydrophobicContact CG-CD1 4.44Å; E154-G297 WeakPolarHBondContact OE2-CA 3.27Å; E154-C298 PolarHBondContact OE2-N 2.9Å; E154-C298 VanDerWaalsContact OE2-N 3.12Å
155	S	88.7	Confident	86	Confident	11 Å²	11	50.2 Å²	50.2	8%	0.077	24%	0.24	C	C	.	.	S	Bend	trans	-65.5	-19.9	176.5	69.8	0	0	0	0	112.5	D153 K300	D153-S155 VanDerWaalsContact C-N 3.34Å; D153-S155 WeakPolarHBondContact OD1-CA 3.43Å; D153-S155 WeakPolarHBondContact OD1-CB 3.47Å; D153-S155 PolarHBondContact OD1-N 3.08Å; D153-S155 PolarHBondContact OD1-OG 3.23Å; D153-S155 PolarHBondContact OD2-OG 3.26Å; S155-K300 WeakPolarHBondContact O-CD 3.36Å
156	N	87.3	Confident	85.1	Confident	49 Å²	49	47.6 Å²	47.6	26%	0.262	23%	0.232	S	C	.	.	S	Bend	trans	-138.8	131.3	169.9	-166	-14.7	0	0	0	110	E154 W158 Y159	E154-N156 PolarHBondContact O-N 3.33Å; N156-W158 PolarHBondContact O-N 3.1Å; N156-W158 VanDerWaalsContact OD1-CD1 3.23Å; N156-W158 PolarHBondContact OD1-N 3.05Å; N156-Y159 HydrophobicContact CB-CD2 3.56Å; N156-Y159 HydrophobicContact CB-CE1 4.43Å; N156-Y159 HydrophobicContact CB-CE2 3.42Å; N156-Y159 VanDerWaalsContact CB-CE2 3.42Å; N156-Y159 HydrophobicContact CB-CG 4.12Å; N156-Y159 WeakPolarHBondContact O-CB 3.4Å; N156-Y159 PolarHBondContact O-N 3.42Å
157	N	87.6	Confident	84.6	Confident	20 Å²	20	49.5 Å²	49.5	11%	0.107	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.4	-23.5	179.2	-62.4	5.9	0	0	0	112.2	Y159 V160 L189 Y190 C295	N157-Y159 PolarHBondContact O-N 3.09Å; N157-V160 PolarHBondContact O-N 2.74Å; N157-L189 HydrophobicContact CB-CB 4.05Å; N157-Y190 PolarHBondContact ND2-O 3.23Å; N157-C295 PolarHBondContact ND2-O 2.92Å; N157-C295 PolarHBondContact OD1-O 3.4Å
158	W	85	Confident	84.1	Confident	166 Å²	166	50.1 Å²	50.1	63%	0.629	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-66.9	-15.9	173.6	-69.5	102.9	0	0	0	114.7	N156 K191	N156-W158 PolarHBondContact O-N 3.1Å; N156-W158 VanDerWaalsContact OD1-CD1 3.23Å; N156-W158 PolarHBondContact OD1-N 3.05Å; W158-K191 HydrophobicContact CD2-CD 4.02Å; W158-K191 HydrophobicContact CD2-CG 4.15Å; W158-K191 HydrophobicContact CE3-CD 3.74Å; W158-K191 VanDerWaalsContact CE3-CE 3.48Å; W158-K191 HydrophobicContact CE3-CG 4.38Å; W158-K191 HydrophobicContact CH2-CD 3.64Å; W158-K191 HydrophobicContact CH2-CG 4.33Å; W158-K191 HydrophobicContact CZ2-CB 4.02Å; W158-K191 HydrophobicContact CZ2-CD 3.89Å; W158-K191 HydrophobicContact CZ2-CG 4.06Å; W158-K191 HydrophobicContact CZ3-CD 3.56Å; W158-K191 HydrophobicContact CZ3-CG 4.48Å
159	Y	82.7	Confident	83.8	Confident	66 Å²	66	52.1 Å²	52.1	26%	0.259	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-92.2	-6.9	179.1	-55.1	-30.9	0	0	0	113.6	D153 N156 N157 R167	D153-Y159 WeakPolarHBondContact O-CB 3.46Å; N156-Y159 HydrophobicContact CB-CD2 3.56Å; N156-Y159 HydrophobicContact CB-CE1 4.43Å; N156-Y159 HydrophobicContact CB-CE2 3.42Å; N156-Y159 VanDerWaalsContact CB-CE2 3.42Å; N156-Y159 HydrophobicContact CB-CG 4.12Å; N156-Y159 WeakPolarHBondContact O-CB 3.4Å; N156-Y159 PolarHBondContact O-N 3.42Å; N157-Y159 PolarHBondContact O-N 3.09Å; Y159-R167 PolarHBondContact OH-NH1 3.14Å
160	V	79.9	Confident	83.6	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-55.1	-169	-173.4	0	0	0	0	112.6	D77 E154 N157 L163 L189	D77-V160 HydrophobicContact CB-CG1 4.38Å; E154-V160 HydrophobicContact CB-CG2 3.97Å; E154-V160 HydrophobicContact CG-CG2 3.89Å; N157-V160 PolarHBondContact O-N 2.74Å; V160-L163 WeakPolarHBondContact O-CD2 3.47Å; V160-L163 VanDerWaalsContact O-CG 3.28Å; V160-L163 WeakPolarHBondContact O-CG 3.1Å; V160-L189 HydrophobicContact CB-CD1 4.05Å; V160-L189 HydrophobicContact CG1-CD1 4.04Å; V160-L189 HydrophobicContact CG2-CD1 3.7Å
161	D	74.1	Confident	83.8	Confident	35 Å²	35	56.5 Å²	56.5	19%	0.187	25%	0.254	C	S	.	.	S	Bend	trans	-141.6	132.7	177.7	-157.5	49	0	0	0	113.3	D77 K191	D77-D161 HydrophobicContact CB-CB 4.38Å; D161-K191 WeakPolarHBondContact O-CE 3.37Å; D161-K191 PolarHBondContact O-NZ 3.05Å
162	P	70.3	Confident	84	Confident	57 Å²	57	57.3 Å²	57.3	37%	0.37	26%	0.259	S	S	.	.	S	Bend	cis	-60.8	142.8	-5.6	28.4	-35.5	0	0	0	112.4	R164	P162-R164 HydrophobicContact CB-CG 4.12Å; P162-R164 HydrophobicContact CG-CG 3.99Å; P162-R164 PolarHBondContact O-N 3.23Å
163	L	70.7	Confident	84.4	Confident	36 Å²	36	57.3 Å²	57.3	19%	0.188	26%	0.259	C	S	.	.			trans	-66	67.1	173.2	-70.6	166	0	0	0	111.4	R84 Y85 V160 P166	R84-L163 HydrophobicContact CB-CD1 4.18Å; R84-L163 WeakPolarHBondContact O-CD1 3.44Å; Y85-L163 HydrophobicContact CD1-CD1 3.57Å; Y85-L163 HydrophobicContact CD1-CD2 4.46Å; Y85-L163 HydrophobicContact CD2-CD1 4.23Å; Y85-L163 HydrophobicContact CE1-CD1 3.43Å; Y85-L163 VanDerWaalsContact CE1-CD1 3.43Å; Y85-L163 HydrophobicContact CE1-CD2 3.69Å; Y85-L163 HydrophobicContact CE1-CG 4.22Å; Y85-L163 HydrophobicContact CE2-CD1 4.1Å; Y85-L163 HydrophobicContact CG-CD1 3.98Å; V160-L163 WeakPolarHBondContact O-CD2 3.47Å; V160-L163 VanDerWaalsContact O-CG 3.28Å; V160-L163 WeakPolarHBondContact O-CG 3.1Å; L163-P166 HydrophobicContact CD2-CB 3.75Å; L163-P166 HydrophobicContact CD2-CG 4.13Å
164	R	69	Low	84.8	Confident	208 Å²	208	56.3 Å²	56.3	79%	0.785	25%	0.254	S	S	*	.	S	Bend	trans	-92	100.8	172.1	-64.7	-179.7	-175.8	175	1.7	106.6	P162	P162-R164 HydrophobicContact CB-CG 4.12Å; P162-R164 HydrophobicContact CG-CG 3.99Å; P162-R164 PolarHBondContact O-N 3.23Å
165	E	75.2	Confident	85.1	Confident	163 Å²	163	57.7 Å²	57.7	76%	0.762	26%	0.259	S	S	*	.	S	Bend	trans	55.4	62.6	-179.2	-60.6	176	-171.3	0	0	113.3	T34 R167	T34-E165 HydrophobicContact CG2-CG 4.44Å; E165-R167 PolarHBondContact O-N 2.83Å
166	P	80.2	Confident	85.5	Confident	14 Å²	14	57.2 Å²	57.2	9%	0.091	26%	0.256	C	S	.	.			trans	-61.4	136.7	-178.1	29	-35.6	0	0	0	110.4	L33 V152 L163 L168	L33-P166 HydrophobicContact CB-CG 4.33Å; L33-P166 HydrophobicContact CD1-CG 4.1Å; V152-P166 HydrophobicContact CG1-CB 4.36Å; L163-P166 HydrophobicContact CD2-CB 3.75Å; L163-P166 HydrophobicContact CD2-CG 4.13Å; P166-L168 HydrophobicContact CB-CD2 4.17Å; P166-L168 HydrophobicContact CG-CD2 4.4Å; P166-L168 WeakPolarHBondContact O-CG 3.44Å
167	R	84.9	Confident	86	Confident	133 Å²	133	54.9 Å²	54.9	50%	0.502	24%	0.243	S	C	.	.			trans	-81.4	142.8	172.1	-73.8	177.8	-174	178.2	2.4	109.5	D153 Y159 E165	D153-R167 HydrophobicContact CB-CB 3.61Å; D153-R167 PolarHBondContact N-O 3.35Å; Y159-R167 PolarHBondContact OH-NH1 3.14Å; E165-R167 PolarHBondContact O-N 2.83Å
168	L	86.7	Confident	86.4	Confident	20 Å²	20	53.9 Å²	53.9	11%	0.105	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	144.7	-169.4	-47.9	162.7	0	0	0	112.5	Y22 L33 L151 V152 P166	Y22-L168 HydrophobicContact CD1-CD1 3.56Å; Y22-L168 HydrophobicContact CE1-CD1 4.3Å; Y22-L168 HydrophobicContact CG-CD1 4.45Å; Y22-L168 CarbonylContact O-C 3.51Å; Y22-L168 VanDerWaalsContact O-C 3.27Å; Y22-L168 WeakPolarHBondContact O-CB 3.3Å; L33-L168 HydrophobicContact CD1-CD1 3.83Å; L33-L168 HydrophobicContact CD1-CD2 3.95Å; L151-L168 CarbonylContact O-C 3.48Å; L151-L168 WeakPolarHBondContact O-CA 3.15Å; V152-L168 HydrophobicContact CB-CD2 4.34Å; V152-L168 HydrophobicContact CG2-CD2 3.86Å; P166-L168 HydrophobicContact CB-CD2 4.17Å; P166-L168 HydrophobicContact CG-CD2 4.4Å; P166-L168 WeakPolarHBondContact O-CG 3.44Å
169	E	87.8	Confident	86.9	Confident	69 Å²	69	46 Å²	46	32%	0.322	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.8	-174.4	64.9	179.9	179.2	0	0	114.2	Y22 L150 L151 Y175 Q299	Y22-E169 CarbonylContact O-C 3.35Å; Y22-E169 PolarHBondContact O-N 3.09Å; Y22-E169 VanDerWaalsContact O-N 3.09Å; L150-E169 CarbonylContact C-O 3.32Å; L150-E169 WeakPolarHBondContact CA-O 3.04Å; L150-E169 WeakPolarHBondContact CB-O 3.3Å; L151-E169 HydrophobicContact CB-CG 4.02Å; L151-E169 PolarHBondContact N-O 3.22Å; L151-E169 PolarHBondContact O-N 3.39Å; E169-Y175 WeakPolarHBondContact OE1-CE1 3.2Å; E169-Y175 PolarHBondContact OE1-OH 2.02Å; E169-Q299 WeakPolarHBondContact OE1-CG 3.1Å; E169-Q299 PolarHBondContact OE1-NE2 2.94Å
170	H	91.2	Very high	87.5	Confident	109 Å²	109	42.9 Å²	42.9	51%	0.505	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	142.5	174.1	-72.4	-91.3	0	0	0	111.7	E27 L150	E27-H170 IonicContact OE1-CE1 2.92Å; E27-H170 PolarHBondContact OE1-CE1 3.39Å; E27-H170 IonicContact OE1-ND1 2.81Å; E27-H170 PolarHBondContact OE1-ND1 3.07Å; L150-H170 HydrophobicContact CD2-CB 4.45Å; L150-H170 WeakPolarHBondContact CD2-CE1 3.33Å; L150-H170 VanDerWaalsContact CD2-ND1 3.31Å; L150-H170 WeakPolarHBondContact CD2-ND1 3.04Å
171	A	94.7	Very high	88.3	Confident	5 Å²	5	42.9 Å²	42.9	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.8	174.7	0	0	0	0	0	112.3	S147 L151 Y175	S147-A171 WeakPolarHBondContact CB-O 3.37Å; S147-A171 PolarHBondContact N-O 3.3Å; S147-A171 PolarHBondContact OG-O 3.22Å; L151-A171 HydrophobicContact CD1-CB 3.67Å; L151-A171 HydrophobicContact CD2-CB 4.21Å; L151-A171 HydrophobicContact CG-CB 3.64Å; A171-Y175 HydrophobicContact CB-CD1 3.88Å; A171-Y175 HydrophobicContact CB-CG 4.18Å
172	S	97.7	Very high	89.2	Confident	16 Å²	16	41.8 Å²	41.8	11%	0.112	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	163.9	161.7	66.5	0	0	0	0	110.7	S142 Q143 W145 Q174 Y175 Y176	S142-S172 WeakPolarHBondContact O-CB 3.33Å; S142-S172 PolarHBondContact O-OG 3.47Å; Q143-S172 VanDerWaalsContact C-CB 3.43Å; Q143-S172 WeakPolarHBondContact O-CB 3.41Å; Q143-S172 PolarHBondContact O-OG 3.49Å; W145-S172 CarbonylContact O-C 3.19Å; W145-S172 WeakPolarHBondContact O-CA 3.3Å; W145-S172 WeakPolarHBondContact O-CB 3.29Å; S172-Q174 VanDerWaalsContact C-N 3.25Å; S172-Q174 PolarHBondContact O-N 3.43Å; S172-Y175 PolarHBondContact O-N 3.39Å; S172-Y175 VanDerWaalsContact O-N 3.15Å; S172-Y175 WeakPolarHBondContact OG-CB 3.47Å; S172-Y175 PolarHBondContact OG-N 3.08Å; S172-Y176 WeakPolarHBondContact O-CB 3.29Å; S172-Y176 PolarHBondContact O-N 3.26Å
173	V	98.1	Very high	90.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-52.8	-46.2	176.6	169.1	0	0	0	0	110.8	S142 W145 I177 L225 I229	S142-V173 PolarHBondContact O-N 3.46Å; W145-V173 HydrophobicContact CB-CG2 4.37Å; W145-V173 PolarHBondContact O-N 3.32Å; V173-I177 WeakPolarHBondContact O-CB 3.4Å; V173-I177 VanDerWaalsContact O-CG1 3.28Å; V173-I177 WeakPolarHBondContact O-CG1 3.24Å; V173-I177 PolarHBondContact O-N 3.45Å; V173-I177 VanDerWaalsContact O-N 3.13Å; V173-L225 HydrophobicContact CG1-CB 3.77Å; V173-L225 HydrophobicContact CG1-CD1 4.15Å; V173-L225 HydrophobicContact CG2-CB 4.1Å; V173-I229 HydrophobicContact CG2-CD1 4.37Å
174	Q	97.7	Very high	91.4	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-46.6	178.4	-171.9	67	40.6	0	0	111.6	S142 S172 Y176 I177 T178 F285 S384	S142-Q174 PolarHBondContact O-N 2.79Å; S142-Q174 PolarHBondContact OG-OE1 3.22Å; S172-Q174 VanDerWaalsContact C-N 3.25Å; S172-Q174 PolarHBondContact O-N 3.43Å; Q174-Y176 VanDerWaalsContact C-N 3.32Å; Q174-Y176 PolarHBondContact O-N 3.43Å; Q174-I177 PolarHBondContact O-N 3.45Å; Q174-T178 PolarHBondContact NE2-OG1 2.85Å; Q174-T178 PolarHBondContact O-N 3.22Å; Q174-T178 PolarHBondContact O-OG1 3.15Å; Q174-F285 HydrophobicContact CB-CE2 4.12Å; Q174-F285 HydrophobicContact CG-CD2 4.11Å; Q174-F285 HydrophobicContact CG-CE2 3.94Å; Q174-S384 PolarHBondContact NE2-O 2.83Å
175	Y	96.8	Very high	92.6	Very high	30 Å²	30	28 Å²	28	12%	0.118	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-41.9	-176.6	-173.4	-160.2	0	0	0	111.6	L151 E169 A171 S172 T178 Y179 F285 Q299	L151-Y175 HydrophobicContact CD1-CD1 3.62Å; L151-Y175 HydrophobicContact CD1-CD2 3.82Å; L151-Y175 HydrophobicContact CD1-CE1 3.4Å; L151-Y175 VanDerWaalsContact CD1-CE1 3.4Å; L151-Y175 HydrophobicContact CD1-CE2 3.62Å; L151-Y175 HydrophobicContact CD1-CG 3.82Å; E169-Y175 WeakPolarHBondContact OE1-CE1 3.2Å; E169-Y175 PolarHBondContact OE1-OH 2.02Å; A171-Y175 HydrophobicContact CB-CD1 3.88Å; A171-Y175 HydrophobicContact CB-CG 4.18Å; S172-Y175 PolarHBondContact O-N 3.39Å; S172-Y175 VanDerWaalsContact O-N 3.15Å; S172-Y175 WeakPolarHBondContact OG-CB 3.47Å; S172-Y175 PolarHBondContact OG-N 3.08Å; Y175-T178 PolarHBondContact O-N 3.24Å; Y175-Y179 VanDerWaalsContact O-CB 3.3Å; Y175-Y179 WeakPolarHBondContact O-CB 3.27Å; Y175-Y179 PolarHBondContact O-N 3.1Å; Y175-F285 HydrophobicContact CD1-CD1 4.42Å; Y175-F285 HydrophobicContact CD1-CE1 4.37Å; Y175-F285 HydrophobicContact CD2-CB 3.74Å; Y175-F285 AromaticContact CD2-CD1 3.43Å; Y175-F285 HydrophobicContact CD2-CD1 3.43Å; Y175-F285 VanDerWaalsContact CD2-CD1 3.43Å; Y175-F285 HydrophobicContact CD2-CD2 4.32Å; Y175-F285 HydrophobicContact CD2-CE1 4.09Å; Y175-F285 AromaticContact CD2-CG 3.57Å; Y175-F285 HydrophobicContact CD2-CG 3.57Å; Y175-F285 HydrophobicContact CE2-CB 4.12Å; Y175-F285 AromaticContact CE2-CD1 3.89Å; Y175-F285 HydrophobicContact CE2-CD1 3.89Å; Y175-F285 HydrophobicContact CE2-CG 4.24Å; Y175-F285 AromaticContact CG-CD1 3.74Å; Y175-F285 HydrophobicContact CG-CD1 3.74Å; Y175-F285 AromaticContact CG-CE1 3.9Å; Y175-F285 HydrophobicContact CG-CE1 3.9Å; Y175-F285 HydrophobicContact CG-CG 4.12Å; Y175-F285 HydrophobicContact CG-CZ 4.41Å; Y175-Q299 WeakPolarHBondContact OH-CG 3.21Å; Y175-Q299 PolarHBondContact OH-NE2 2.88Å
176	Y	97.2	Very high	93.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.7	-51.4	175.5	170.6	-115.3	0	0	0	112	Y149 L151 S172 Q174 T178 Y179 L180 L221 L225	Y149-Y176 AromaticContact CD1-CE2 3.83Å; Y149-Y176 HydrophobicContact CD1-CE2 3.83Å; Y149-Y176 AromaticContact CD1-CZ 3.7Å; Y149-Y176 WeakPolarHBondContact CD1-OH 3.06Å; Y149-Y176 HydrophobicContact CD2-CD1 4.01Å; Y149-Y176 HydrophobicContact CD2-CD2 4.37Å; Y149-Y176 AromaticContact CD2-CE1 3.63Å; Y149-Y176 HydrophobicContact CD2-CE1 3.63Å; Y149-Y176 HydrophobicContact CD2-CE2 4.05Å; Y149-Y176 HydrophobicContact CD2-CG 4.35Å; Y149-Y176 AromaticContact CD2-CZ 3.63Å; Y149-Y176 WeakPolarHBondContact CE1-OH 2.83Å; Y149-Y176 AromaticContact CE2-CE1 3.9Å; Y149-Y176 HydrophobicContact CE2-CE1 3.9Å; Y149-Y176 HydrophobicContact CG-CD1 4.43Å; Y149-Y176 AromaticContact CG-CD2 3.99Å; Y149-Y176 HydrophobicContact CG-CD2 3.99Å; Y149-Y176 AromaticContact CG-CE1 3.99Å; Y149-Y176 HydrophobicContact CG-CE1 3.99Å; Y149-Y176 AromaticContact CG-CE2 3.52Å; Y149-Y176 HydrophobicContact CG-CE2 3.52Å; Y149-Y176 HydrophobicContact CG-CG 4.41Å; Y149-Y176 AromaticContact CG-CZ 3.49Å; Y149-Y176 VanDerWaalsContact CG-CZ 3.49Å; L151-Y176 HydrophobicContact CD2-CD2 4.12Å; S172-Y176 WeakPolarHBondContact O-CB 3.29Å; S172-Y176 PolarHBondContact O-N 3.26Å; Q174-Y176 VanDerWaalsContact C-N 3.32Å; Q174-Y176 PolarHBondContact O-N 3.43Å; Y176-T178 VanDerWaalsContact C-N 3.35Å; Y176-T178 PolarHBondContact O-N 2.87Å; Y176-Y179 PolarHBondContact O-N 3.03Å; Y176-L180 HydrophobicContact CD1-CD1 4.27Å; Y176-L180 HydrophobicContact CD2-CG 4.2Å; Y176-L180 HydrophobicContact CE1-CD1 3.63Å; Y176-L180 HydrophobicContact CE1-CG 4.34Å; Y176-L180 HydrophobicContact CE2-CD1 3.88Å; Y176-L180 HydrophobicContact CE2-CD2 3.83Å; Y176-L180 HydrophobicContact CE2-CG 3.79Å; Y176-L180 VanDerWaalsContact CZ-CD1 3.42Å; Y176-L180 WeakPolarHBondContact O-CG 3.36Å; Y176-L180 PolarHBondContact O-N 3.04Å; Y176-L221 HydrophobicContact CE1-CD2 3.96Å; Y176-L225 HydrophobicContact CD1-CD1 3.78Å; Y176-L225 HydrophobicContact CE1-CD1 3.98Å
177	I	97.5	Very high	93.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.9	-44.4	-179.5	-76.3	-58.7	0	0	0	110.9	V173 Q174 L180 H181 Y218 W222 L225	V173-I177 WeakPolarHBondContact O-CB 3.4Å; V173-I177 VanDerWaalsContact O-CG1 3.28Å; V173-I177 WeakPolarHBondContact O-CG1 3.24Å; V173-I177 PolarHBondContact O-N 3.45Å; V173-I177 VanDerWaalsContact O-N 3.13Å; Q174-I177 PolarHBondContact O-N 3.45Å; I177-L180 HydrophobicContact CD1-CD1 4.46Å; I177-L180 PolarHBondContact O-N 2.73Å; I177-H181 PolarHBondContact O-N 3.38Å; I177-Y218 HydrophobicContact CB-CE2 4.48Å; I177-Y218 HydrophobicContact CD1-CD2 4.47Å; I177-Y218 HydrophobicContact CD1-CE2 4.11Å; I177-Y218 HydrophobicContact CG2-CE1 4.28Å; I177-Y218 HydrophobicContact CG2-CE2 3.91Å; I177-Y218 VanDerWaalsContact CG2-CZ 3.47Å; I177-Y218 WeakPolarHBondContact CG2-OH 3.39Å; I177-Y218 VanDerWaalsContact O-CE2 3.32Å; I177-Y218 WeakPolarHBondContact O-CE2 3.33Å; I177-Y218 PolarHBondContact O-OH 3.22Å; I177-Y218 VanDerWaalsContact O-OH 3.13Å; I177-W222 HydrophobicContact CB-CD2 4.42Å; I177-W222 HydrophobicContact CD1-CB 3.74Å; I177-W222 HydrophobicContact CD1-CG 3.99Å; I177-W222 HydrophobicContact CG1-CB 4.17Å; I177-W222 HydrophobicContact CG1-CD2 4.18Å; I177-W222 HydrophobicContact CG1-CG 3.85Å; I177-W222 HydrophobicContact CG2-CD2 3.48Å; I177-W222 VanDerWaalsContact CG2-CD2 3.48Å; I177-W222 HydrophobicContact CG2-CE3 3.46Å; I177-W222 VanDerWaalsContact CG2-CE3 3.46Å; I177-W222 HydrophobicContact CG2-CG 4.07Å; I177-W222 HydrophobicContact CG2-CH2 3.88Å; I177-W222 HydrophobicContact CG2-CZ2 3.91Å; I177-W222 HydrophobicContact CG2-CZ3 3.65Å; I177-L225 HydrophobicContact CD1-CD1 4.29Å; I177-L225 HydrophobicContact CG1-CD1 4.37Å
178	T	96.5	Very high	93.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.7	-41.3	176.8	-62.6	0	0	0	0	112.7	Q174 Y175 Y176 L180 H181 R182 F285 C286 S384 N385	Q174-T178 PolarHBondContact NE2-OG1 2.85Å; Q174-T178 PolarHBondContact O-N 3.22Å; Q174-T178 PolarHBondContact O-OG1 3.15Å; Y175-T178 PolarHBondContact O-N 3.24Å; Y176-T178 VanDerWaalsContact C-N 3.35Å; Y176-T178 PolarHBondContact O-N 2.87Å; T178-L180 PolarHBondContact O-N 3.41Å; T178-H181 PolarHBondContact O-N 3.3Å; T178-R182 PolarHBondContact O-N 3.05Å; T178-F285 HydrophobicContact CG2-CB 3.97Å; T178-C286 HydrophobicContact CG2-CB 4.16Å; T178-S384 WeakPolarHBondContact CA-OG 3.31Å; T178-S384 WeakPolarHBondContact CB-OG 3.35Å; T178-S384 WeakPolarHBondContact CG2-OG 3.33Å; T178-S384 PolarHBondContact OG1-OG 2.95Å; T178-N385 PolarHBondContact OG1-OD1 3.18Å
179	Y	95.7	Very high	94	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-59.6	-44.9	174.3	-177.4	-80.8	0	0	0	111.9	M24 L151 V152 E154 Y175 Y176 H181 R182 Y183 C298	M24-Y179 HydrophobicContact CB-CE1 4.33Å; M24-Y179 HydrophobicContact SD-CE1 4.49Å; L151-Y179 HydrophobicContact CB-CD2 4.08Å; L151-Y179 HydrophobicContact CB-CE2 4.07Å; L151-Y179 HydrophobicContact CB-CG 4.43Å; L151-Y179 HydrophobicContact CD1-CD2 3.75Å; L151-Y179 HydrophobicContact CD1-CG 3.93Å; L151-Y179 VanDerWaalsContact CD2-CB 3.48Å; L151-Y179 HydrophobicContact CD2-CD1 3.45Å; L151-Y179 VanDerWaalsContact CD2-CD1 3.45Å; L151-Y179 HydrophobicContact CD2-CD2 3.8Å; L151-Y179 HydrophobicContact CD2-CE1 4.09Å; L151-Y179 HydrophobicContact CD2-CE2 4.37Å; L151-Y179 HydrophobicContact CD2-CG 3.28Å; L151-Y179 HydrophobicContact CG-CD2 4.09Å; L151-Y179 HydrophobicContact CG-CG 4.07Å; V152-Y179 WeakPolarHBondContact CB-OH 3.26Å; V152-Y179 WeakPolarHBondContact O-CE2 3.2Å; V152-Y179 PolarHBondContact O-OH 3.11Å; E154-Y179 VanDerWaalsContact CD-OH 3.25Å; E154-Y179 HydrophobicContact CG-CE2 4.1Å; E154-Y179 WeakPolarHBondContact CG-OH 3.44Å; E154-Y179 PolarHBondContact OE1-OH 3.43Å; E154-Y179 VanDerWaalsContact OE1-OH 3.1Å; Y175-Y179 VanDerWaalsContact O-CB 3.3Å; Y175-Y179 WeakPolarHBondContact O-CB 3.27Å; Y175-Y179 PolarHBondContact O-N 3.1Å; Y176-Y179 PolarHBondContact O-N 3.03Å; Y179-H181 VanDerWaalsContact C-N 3.31Å; Y179-H181 PolarHBondContact O-N 2.74Å; Y179-R182 PolarHBondContact O-N 3.37Å; Y179-Y183 AromaticContact CE1-CD2 3.85Å; Y179-Y183 HydrophobicContact CE1-CD2 3.85Å; Y179-Y183 HydrophobicContact CE1-CG 4.12Å; Y179-Y183 WeakPolarHBondContact O-CB 3.37Å; Y179-Y183 PolarHBondContact O-N 3.37Å; Y179-C298 HydrophobicContact CD2-CB 3.71Å; Y179-C298 HydrophobicContact CE2-CB 4.07Å
180	L	96.2	Very high	94	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.5	-42.9	178.6	-73.4	-175.8	0	0	0	112.4	Y176 I177 T178 Y183 G184 Y218 L221 G431 I432	Y176-L180 HydrophobicContact CD1-CD1 4.27Å; Y176-L180 HydrophobicContact CD2-CG 4.2Å; Y176-L180 HydrophobicContact CE1-CD1 3.63Å; Y176-L180 HydrophobicContact CE1-CG 4.34Å; Y176-L180 HydrophobicContact CE2-CD1 3.88Å; Y176-L180 HydrophobicContact CE2-CD2 3.83Å; Y176-L180 HydrophobicContact CE2-CG 3.79Å; Y176-L180 VanDerWaalsContact CZ-CD1 3.42Å; Y176-L180 WeakPolarHBondContact O-CG 3.36Å; Y176-L180 PolarHBondContact O-N 3.04Å; I177-L180 HydrophobicContact CD1-CD1 4.46Å; I177-L180 PolarHBondContact O-N 2.73Å; T178-L180 PolarHBondContact O-N 3.41Å; L180-Y183 PolarHBondContact O-N 3.31Å; L180-G184 PolarHBondContact O-N 3.21Å; L180-Y218 HydrophobicContact CB-CD2 4.41Å; L180-Y218 HydrophobicContact CB-CE2 4.13Å; L180-Y218 HydrophobicContact CD1-CD2 4.45Å; L180-L221 HydrophobicContact CD1-CD2 4.33Å; L180-G431 WeakPolarHBondContact CD2-O 3.4Å; L180-I432 HydrophobicContact CD1-CG1 4.27Å
181	H	96.2	Very high	93.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-66.4	-41.7	179.9	-167.3	-125.8	0	0	0	111.7	I177 T178 Y179 S185 N205 H206 W214 H215 Y218 T380 F389	I177-H181 PolarHBondContact O-N 3.38Å; T178-H181 PolarHBondContact O-N 3.3Å; Y179-H181 VanDerWaalsContact C-N 3.31Å; Y179-H181 PolarHBondContact O-N 2.74Å; H181-S185 WeakPolarHBondContact O-CB 3.3Å; H181-S185 PolarHBondContact O-N 3.44Å; H181-S185 PolarHBondContact O-OG 2.95Å; H181-N205 PolarHBondContact O-ND2 3.29Å; H181-N205 VanDerWaalsContact O-ND2 3.08Å; H181-H206 AromaticContact CD2-CE1 3.85Å; H181-H206 AromaticContact CE1-CE1 3.88Å; H181-H206 AromaticContact NE2-CE1 3.16Å; H181-H206 PolarHBondContact NE2-CE1 2.83Å; H181-H206 AromaticContact NE2-NE2 3.39Å; H181-H206 PolarHBondContact NE2-NE2 3.32Å; H181-W214 HydrophobicContact CB-CH2 4.31Å; H181-W214 AromaticContact CD2-CH2 4Å; H181-W214 AromaticContact CD2-CZ3 3.76Å; H181-H215 AromaticContact CD2-NE2 3.7Å; H181-H215 AromaticContact NE2-NE2 3.32Å; H181-H215 PolarHBondContact NE2-NE2 2.95Å; H181-Y218 HydrophobicContact CB-CE2 4.22Å; H181-T380 PolarHBondContact CE1-O 3.21Å; H181-T380 VanDerWaalsContact CE1-O 3.25Å; H181-T380 PolarHBondContact ND1-O 3.37Å; H181-F389 AromaticContact CE1-CE2 3.5Å; H181-F389 VanDerWaalsContact CE1-CE2 3.5Å; H181-F389 WeakPolarHBondContact CE1-CE2 3.45Å; H181-F389 AromaticContact CE1-CZ 3.6Å; H181-F389 AromaticContact NE2-CE2 3.88Å; H181-F389 AromaticContact NE2-CZ 3.58Å
182	R	93.8	Very high	93.4	Very high	12 Å²	12	13.6 Å²	13.6	5%	0.045	7%	0.068	C	C	.	.	H	α-helix	trans	-64.3	-46.4	170.6	-179.2	66.7	-175.4	175.4	0.9	111.8	T178 Y179 G184 S185 R186 C286 E288 S296 C298	T178-R182 PolarHBondContact O-N 3.05Å; Y179-R182 PolarHBondContact O-N 3.37Å; R182-G184 VanDerWaalsContact C-N 3.32Å; R182-G184 PolarHBondContact O-N 3.29Å; R182-S185 PolarHBondContact O-N 2.75Å; R182-S185 PolarHBondContact O-OG 3.29Å; R182-R186 HydrophobicContact CG-CB 4.38Å; R182-R186 VanDerWaalsContact O-CB 3.26Å; R182-R186 WeakPolarHBondContact O-CB 3.33Å; R182-R186 WeakPolarHBondContact O-CG 3.21Å; R182-R186 PolarHBondContact O-N 3.04Å; R182-C286 HydrophobicContact CB-CB 4.31Å; R182-C286 HydrophobicContact CG-CB 4.33Å; R182-E288 IonicContact CZ-OE1 3.15Å; R182-E288 IonicContact NH1-OE1 2.76Å; R182-E288 PolarHBondContact NH1-OE1 3.32Å; R182-E288 IonicContact NH1-OE2 3.84Å; R182-E288 PolarHBondContact NH1-OE2 2.79Å; R182-E288 VanDerWaalsContact NH1-OE2 3.1Å; R182-S296 PolarHBondContact NH2-O 3.15Å; R182-C298 HydrophobicContact CG-CB 4.39Å
183	Y	93.6	Very high	92.7	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-42.2	-178	-178.1	-92.8	0	0	0	111.5	M24 D77 R78 W81 Y85 E154 Y179 L180 S185 I430	M24-Y183 HydrophobicContact CE-CE2 4.48Å; M24-Y183 HydrophobicContact SD-CE1 4.36Å; M24-Y183 HydrophobicContact SD-CE2 4.11Å; D77-Y183 VanDerWaalsContact OD2-CE2 3.27Å; D77-Y183 WeakPolarHBondContact OD2-CE2 3.39Å; D77-Y183 PolarHBondContact OD2-OH 2.78Å; D77-Y183 VanDerWaalsContact OD2-OH 3.04Å; R78-Y183 WeakPolarHBondContact CD-O 3.36Å; R78-Y183 HydrophobicContact CG-CD1 4.29Å; R78-Y183 HydrophobicContact CG-CE1 3.55Å; R78-Y183 HydrophobicContact CG-CE2 4.24Å; R78-Y183 PolarHBondContact NH1-O 3.15Å; W81-Y183 HydrophobicContact CE3-CE1 4.3Å; W81-Y183 HydrophobicContact CH2-CE1 4.42Å; W81-Y183 HydrophobicContact CZ3-CE1 4Å; W81-Y183 AromaticContact CZ3-CZ 3.98Å; W81-Y183 VanDerWaalsContact CZ3-OH 3.28Å; W81-Y183 WeakPolarHBondContact CZ3-OH 3.23Å; Y85-Y183 WeakPolarHBondContact CE2-OH 3.39Å; E154-Y183 WeakPolarHBondContact OE1-CD2 3.29Å; Y179-Y183 AromaticContact CE1-CD2 3.85Å; Y179-Y183 HydrophobicContact CE1-CD2 3.85Å; Y179-Y183 HydrophobicContact CE1-CG 4.12Å; Y179-Y183 WeakPolarHBondContact O-CB 3.37Å; Y179-Y183 PolarHBondContact O-N 3.37Å; L180-Y183 PolarHBondContact O-N 3.31Å; Y183-S185 VanDerWaalsContact C-N 3.33Å; Y183-S185 PolarHBondContact O-N 3.45Å; Y183-I430 HydrophobicContact CE1-CG2 4.32Å
184	G	93.9	Very high	92.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-30.5	174.5	0	0	0	0	0	113.9	L180 R182 F204 N205	L180-G184 PolarHBondContact O-N 3.21Å; R182-G184 VanDerWaalsContact C-N 3.32Å; R182-G184 PolarHBondContact O-N 3.29Å; G184-F204 WeakPolarHBondContact O-CA 3.09Å; G184-F204 WeakPolarHBondContact O-CB 3.07Å; G184-F204 PolarHBondContact O-N 2.91Å; G184-N205 VanDerWaalsContact C-OD1 3.31Å; G184-N205 PolarHBondContact O-OD1 3.32Å
185	S	92.4	Very high	91.6	Very high	10 Å²	10	25.7 Å²	25.7	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-104.2	-22.4	-170.5	60.7	0	0	0	0	115.6	H181 R182 Y183 N205 T380	H181-S185 WeakPolarHBondContact O-CB 3.3Å; H181-S185 PolarHBondContact O-N 3.44Å; H181-S185 PolarHBondContact O-OG 2.95Å; R182-S185 PolarHBondContact O-N 2.75Å; R182-S185 PolarHBondContact O-OG 3.29Å; Y183-S185 VanDerWaalsContact C-N 3.33Å; Y183-S185 PolarHBondContact O-N 3.45Å; S185-N205 WeakPolarHBondContact CA-OD1 3.38Å; S185-N205 VanDerWaalsContact CB-OD1 3.26Å; S185-N205 WeakPolarHBondContact CB-OD1 3.37Å; S185-N205 PolarHBondContact N-OD1 3.41Å; S185-T380 VanDerWaalsContact CB-OG1 3.3Å; S185-T380 WeakPolarHBondContact CB-OG1 3.26Å; S185-T380 WeakPolarHBondContact OG-CB 3.33Å; S185-T380 PolarHBondContact OG-OG1 2.77Å
186	R	89.8	Confident	91.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	13%	0.126	C	C	.	.	S	Bend	trans	-62.8	153.7	-174.5	65.6	168.9	175.7	63.3	-3.6	112.1	D77 R78 E154 R182	D77-R186 IonicContact OD1-CZ 3.14Å; D77-R186 IonicContact OD1-NH1 2.65Å; D77-R186 PolarHBondContact OD1-NH1 2.92Å; D77-R186 IonicContact OD1-NH2 3.28Å; D77-R186 PolarHBondContact OD1-NH2 3.08Å; D77-R186 IonicContact OD2-NH2 2.69Å; D77-R186 PolarHBondContact OD2-NH2 3.26Å; R78-R186 PolarHBondContact NH1-O 2.8Å; R78-R186 PolarHBondContact NH2-O 3.33Å; E154-R186 VanDerWaalsContact CD-NE 3.31Å; E154-R186 IonicContact OE1-CZ 3.41Å; E154-R186 IonicContact OE1-NE 3.67Å; E154-R186 PolarHBondContact OE1-NE 2.6Å; E154-R186 IonicContact OE1-NH2 3.65Å; E154-R186 PolarHBondContact OE1-NH2 2.89Å; E154-R186 IonicContact OE2-NE 2.88Å; E154-R186 PolarHBondContact OE2-NE 2.05Å; E154-R186 VanDerWaalsContact OE2-NE 3.16Å; R182-R186 HydrophobicContact CG-CB 4.38Å; R182-R186 VanDerWaalsContact O-CB 3.26Å; R182-R186 WeakPolarHBondContact O-CB 3.33Å; R182-R186 WeakPolarHBondContact O-CG 3.21Å; R182-R186 PolarHBondContact O-N 3.04Å
187	S	88.4	Confident	90.6	Very high	22 Å²	22	30.7 Å²	30.7	15%	0.154	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-63.2	161.1	169.2	-54.8	0	0	0	0	111.8	L189 G200 L294	S187-L189 PolarHBondContact O-N 2.75Å; S187-G200 VanDerWaalsContact CB-O 3.22Å; S187-G200 WeakPolarHBondContact CB-O 3.3Å; S187-G200 PolarHBondContact OG-O 3.04Å; S187-L294 PolarHBondContact OG-O 2.94Å
188	T	89.5	Confident	90.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-55.1	132.7	168	-55.7	0	0	0	0	109.6	I75 D76 Y190 L202 C295	I75-T188 HydrophobicContact CD1-CG2 3.97Å; I75-T188 HydrophobicContact CG1-CG2 3.76Å; D76-T188 HydrophobicContact CB-CG2 3.81Å; D76-T188 VanDerWaalsContact OD2-CA 3.23Å; D76-T188 WeakPolarHBondContact OD2-CA 3.06Å; D76-T188 VanDerWaalsContact OD2-CB 3.28Å; D76-T188 WeakPolarHBondContact OD2-CB 3.4Å; D76-T188 PolarHBondContact OD2-OG1 2.74Å; T188-Y190 VanDerWaalsContact CB-CE2 3.49Å; T188-Y190 HydrophobicContact CG2-CD2 3.96Å; T188-Y190 HydrophobicContact CG2-CE1 4.4Å; T188-Y190 HydrophobicContact CG2-CE2 3.72Å; T188-Y190 HydrophobicContact CG2-CG 4.42Å; T188-Y190 WeakPolarHBondContact O-CD2 3.34Å; T188-Y190 PolarHBondContact O-N 3.41Å; T188-L202 WeakPolarHBondContact OG1-CD1 3.26Å; T188-C295 WeakPolarHBondContact O-CB 3.2Å; T188-C295 PolarHBondContact O-SG 3.24Å
189	L	89.1	Confident	89.4	Confident	15 Å²	15	38.9 Å²	38.9	8%	0.079	19%	0.191	C	C	.	.			trans	-80	66.5	-176.8	-62.9	-177.3	0	0	0	111.5	E154 N157 V160 S187 C295 S296	E154-L189 HydrophobicContact CB-CD1 4.25Å; E154-L189 HydrophobicContact CG-CD1 4.44Å; N157-L189 HydrophobicContact CB-CB 4.05Å; V160-L189 HydrophobicContact CB-CD1 4.05Å; V160-L189 HydrophobicContact CG1-CD1 4.04Å; V160-L189 HydrophobicContact CG2-CD1 3.7Å; S187-L189 PolarHBondContact O-N 2.75Å; L189-C295 VanDerWaalsContact CD2-O 3.28Å; L189-C295 WeakPolarHBondContact CD2-O 3.19Å; L189-S296 VanDerWaalsContact CD2-C 3.42Å
190	Y	88.4	Confident	88.4	Confident	10 Å²	10	39.4 Å²	39.4	4%	0.039	20%	0.197	C	C	.	.			trans	-59	144.9	174.3	-70.9	-82.2	0	0	0	111.1	V72 I75 N157 T188 D195 C196 Y199	V72-Y190 PolarHBondContact O-OH 2.78Å; I75-Y190 HydrophobicContact CD1-CD1 3.37Å; I75-Y190 HydrophobicContact CD1-CE1 3.37Å; I75-Y190 HydrophobicContact CD1-CG 4.2Å; I75-Y190 HydrophobicContact CG1-CE1 4.12Å; N157-Y190 PolarHBondContact ND2-O 3.23Å; T188-Y190 VanDerWaalsContact CB-CE2 3.49Å; T188-Y190 HydrophobicContact CG2-CD2 3.96Å; T188-Y190 HydrophobicContact CG2-CE1 4.4Å; T188-Y190 HydrophobicContact CG2-CE2 3.72Å; T188-Y190 HydrophobicContact CG2-CG 4.42Å; T188-Y190 WeakPolarHBondContact O-CD2 3.34Å; T188-Y190 PolarHBondContact O-N 3.41Å; Y190-D195 HydrophobicContact CD1-CB 3.44Å; Y190-D195 VanDerWaalsContact CD1-CB 3.44Å; Y190-D195 HydrophobicContact CE1-CB 3.8Å; Y190-D195 HydrophobicContact CG-CB 3.86Å; Y190-C196 HydrophobicContact CD2-CB 4.42Å; Y190-Y199 WeakPolarHBondContact OH-CB 3.43Å
191	K	86.1	Confident	87.4	Confident	91 Å²	91	45.8 Å²	45.8	40%	0.396	23%	0.23	S	C	.	.	S	Bend	trans	-83.3	-27.6	-179.8	-69.5	159.9	179	171.1	0	112.2	W158 D161	W158-K191 HydrophobicContact CD2-CD 4.02Å; W158-K191 HydrophobicContact CD2-CG 4.15Å; W158-K191 HydrophobicContact CE3-CD 3.74Å; W158-K191 VanDerWaalsContact CE3-CE 3.48Å; W158-K191 HydrophobicContact CE3-CG 4.38Å; W158-K191 HydrophobicContact CH2-CD 3.64Å; W158-K191 HydrophobicContact CH2-CG 4.33Å; W158-K191 HydrophobicContact CZ2-CB 4.02Å; W158-K191 HydrophobicContact CZ2-CD 3.89Å; W158-K191 HydrophobicContact CZ2-CG 4.06Å; W158-K191 HydrophobicContact CZ3-CD 3.56Å; W158-K191 HydrophobicContact CZ3-CG 4.48Å; D161-K191 WeakPolarHBondContact O-CE 3.37Å; D161-K191 PolarHBondContact O-NZ 3.05Å
192	N	86	Confident	86.8	Confident	69 Å²	69	46.5 Å²	46.5	37%	0.369	23%	0.233	S	C	.	.	S	Bend	trans	-100.2	151.4	173.5	62.9	19.9	0	0	0	109.8	D195	N192-D195 VanDerWaalsContact CG-CG 3.45Å; N192-D195 PolarHBondContact ND2-OD1 3.14Å; N192-D195 PolarHBondContact ND2-OD2 2.79Å; N192-D195 WeakPolarHBondContact OD1-CB 3.43Å; N192-D195 PolarHBondContact OD1-N 2.91Å; N192-D195 PolarHBondContact OD1-OD2 3.37Å; N192-D195 VanDerWaalsContact OD1-OD2 3.1Å
193	V	83.2	Confident	86.7	Confident	93 Å²	93	47.4 Å²	47.4	56%	0.564	24%	0.239	S	C	*	.	H	α-helix	trans	-74.6	-35.2	-179.9	177.4	0	0	0	0	110.8	C196 E197	V193-C196 VanDerWaalsContact O-CB 3.24Å; V193-C196 WeakPolarHBondContact O-CB 3.43Å; V193-C196 PolarHBondContact O-N 3.45Å; V193-E197 HydrophobicContact CG1-CG 4.2Å; V193-E197 WeakPolarHBondContact O-CG 3.32Å; V193-E197 PolarHBondContact O-N 3.11Å
194	K	86.7	Confident	86.7	Confident	129 Å²	129	47.5 Å²	47.5	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-61.1	-50.1	-179.6	-172.2	-177.1	178.6	-59.4	0	113	C196 E197 D198	K194-C196 PolarHBondContact O-N 2.75Å; K194-E197 PolarHBondContact O-N 2.05Å; K194-D198 IonicContact NZ-OD2 2.75Å; K194-D198 PolarHBondContact NZ-OD2 3.06Å; K194-D198 WeakPolarHBondContact O-CB 3.49Å; K194-D198 VanDerWaalsContact O-CG 3.3Å; K194-D198 PolarHBondContact O-N 3.03Å
195	D	87.3	Confident	86.7	Confident	52 Å²	52	47.5 Å²	47.5	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-68.9	-28.9	179.4	-55.4	-14.6	0	0	0	110.9	Y190 N192 Y199	Y190-D195 HydrophobicContact CD1-CB 3.44Å; Y190-D195 VanDerWaalsContact CD1-CB 3.44Å; Y190-D195 HydrophobicContact CE1-CB 3.8Å; Y190-D195 HydrophobicContact CG-CB 3.86Å; N192-D195 VanDerWaalsContact CG-CG 3.45Å; N192-D195 PolarHBondContact ND2-OD1 3.14Å; N192-D195 PolarHBondContact ND2-OD2 2.79Å; N192-D195 WeakPolarHBondContact OD1-CB 3.43Å; N192-D195 PolarHBondContact OD1-N 2.91Å; N192-D195 PolarHBondContact OD1-OD2 3.37Å; N192-D195 VanDerWaalsContact OD1-OD2 3.1Å; D195-Y199 HydrophobicContact CB-CD2 3.94Å; D195-Y199 HydrophobicContact CB-CE2 4.36Å; D195-Y199 WeakPolarHBondContact O-CA 3.04Å; D195-Y199 WeakPolarHBondContact O-CB 3.48Å; D195-Y199 WeakPolarHBondContact O-CD2 3.49Å; D195-Y199 PolarHBondContact O-N 3.04Å
196	C	86.9	Confident	86.9	Confident	10 Å²	10	47.5 Å²	47.5	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-49.5	171.1	174.3	0	0	0	0	112.1	Y190 V193 K194 G200 L294 C295	Y190-C196 HydrophobicContact CD2-CB 4.42Å; V193-C196 VanDerWaalsContact O-CB 3.24Å; V193-C196 WeakPolarHBondContact O-CB 3.43Å; V193-C196 PolarHBondContact O-N 3.45Å; K194-C196 PolarHBondContact O-N 2.75Å; C196-G200 WeakPolarHBondContact O-CA 3.24Å; C196-G200 PolarHBondContact O-N 3.37Å; C196-L294 VanDerWaalsContact SG-CB 3.57Å; C196-C295 WeakPolarHBondContact CA-SG 3.46Å; C196-C295 HydrophobicContact CB-CB 3.74Å; C196-C295 WeakPolarHBondContact CB-SG 3.48Å; C196-C295 WeakPolarHBondContact SG-CB 3.42Å; C196-C295 PolarHBondContact SG-N 3.24Å; C196-C295 CovalentContact SG-SG 2.01Å; C196-C295 PolarHBondContact SG-SG 3.28Å
197	E	85.4	Confident	86.9	Confident	126 Å²	126	49 Å²	49	59%	0.589	25%	0.247	S	C	*	.	H	α-helix	trans	-65.8	-39.9	179.1	-71.4	173.6	166.9	0	0	111.7	V193 K194 L294	V193-E197 HydrophobicContact CG1-CG 4.2Å; V193-E197 WeakPolarHBondContact O-CG 3.32Å; V193-E197 PolarHBondContact O-N 3.11Å; K194-E197 PolarHBondContact O-N 2.05Å; E197-L294 HydrophobicContact CG-CD1 4.22Å
198	D	86.4	Confident	87.1	Confident	77 Å²	77	48.6 Å²	48.6	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-76.1	-33.5	-176.8	-70.1	-21.6	0	0	0	113.1	K194	K194-D198 IonicContact NZ-OD2 2.75Å; K194-D198 PolarHBondContact NZ-OD2 3.06Å; K194-D198 WeakPolarHBondContact O-CB 3.49Å; K194-D198 VanDerWaalsContact O-CG 3.3Å; K194-D198 PolarHBondContact O-N 3.03Å
199	Y	83.2	Confident	87.4	Confident	95 Å²	95	48.7 Å²	48.7	37%	0.373	25%	0.247	S	C	.	.	H	α-helix	trans	-132.5	1.1	-167.5	-49.1	-61.2	0	0	0	114.8	V72 F73 Y190 D195 I201	V72-Y199 HydrophobicContact CB-CD1 4.44Å; V72-Y199 HydrophobicContact CB-CD2 4.35Å; V72-Y199 HydrophobicContact CB-CG 4.2Å; V72-Y199 HydrophobicContact CG1-CD1 4.28Å; V72-Y199 HydrophobicContact CG1-CD2 4.21Å; V72-Y199 HydrophobicContact CG1-CE1 4.21Å; V72-Y199 HydrophobicContact CG1-CE2 4.13Å; V72-Y199 HydrophobicContact CG1-CG 4.3Å; V72-Y199 HydrophobicContact CG2-CD1 4.27Å; V72-Y199 HydrophobicContact CG2-CG 4.35Å; F73-Y199 VanDerWaalsContact CE1-O 3.31Å; F73-Y199 WeakPolarHBondContact CE1-O 3.48Å; Y190-Y199 WeakPolarHBondContact OH-CB 3.43Å; D195-Y199 HydrophobicContact CB-CD2 3.94Å; D195-Y199 HydrophobicContact CB-CE2 4.36Å; D195-Y199 WeakPolarHBondContact O-CA 3.04Å; D195-Y199 WeakPolarHBondContact O-CB 3.48Å; D195-Y199 WeakPolarHBondContact O-CD2 3.49Å; D195-Y199 PolarHBondContact O-N 3.04Å; Y199-I201 PolarHBondContact O-N 3.24Å
200	G	74.7	Confident	87.7	Confident	12 Å²	12	48 Å²	48	12%	0.124	24%	0.243	C	C	.	.			trans	-73	56.3	-173.4	0	0	0	0	0	115.7	S187 C196	S187-G200 VanDerWaalsContact CB-O 3.22Å; S187-G200 WeakPolarHBondContact CB-O 3.3Å; S187-G200 PolarHBondContact OG-O 3.04Å; C196-G200 WeakPolarHBondContact O-CA 3.24Å; C196-G200 PolarHBondContact O-N 3.37Å
201	I	73.6	Confident	88.2	Confident	133 Å²	133	47.6 Å²	47.6	68%	0.682	24%	0.241	S	C	*	.			trans	-136.1	56.6	-172.3	-41.3	175.6	0	0	0	111.2	Y199	Y199-I201 PolarHBondContact O-N 3.24Å
202	L	84.2	Confident	88.7	Confident	16 Å²	16	43.5 Å²	43.5	8%	0.084	22%	0.224	C	C	.	.			trans	-111.7	116.5	170.4	-71.7	-173.4	0	0	0	110.7	F73 D76 I79 T188 F204	F73-L202 HydrophobicContact CB-CD1 3.89Å; F73-L202 HydrophobicContact CD1-CD1 3.55Å; F73-L202 HydrophobicContact CD1-CD2 3.93Å; F73-L202 HydrophobicContact CD1-CG 3.64Å; F73-L202 HydrophobicContact CD2-CD1 4.5Å; F73-L202 HydrophobicContact CD2-CD2 3.95Å; F73-L202 HydrophobicContact CE1-CD1 4.21Å; F73-L202 HydrophobicContact CE1-CD2 3.9Å; F73-L202 HydrophobicContact CE1-CG 3.76Å; F73-L202 HydrophobicContact CE2-CD2 3.94Å; F73-L202 HydrophobicContact CG-CD1 3.73Å; F73-L202 HydrophobicContact CG-CD2 3.97Å; F73-L202 HydrophobicContact CG-CG 4.07Å; F73-L202 HydrophobicContact CZ-CD2 3.92Å; F73-L202 HydrophobicContact CZ-CG 4.29Å; D76-L202 HydrophobicContact CB-CD1 4.04Å; I79-L202 HydrophobicContact CD1-CD1 4.45Å; T188-L202 WeakPolarHBondContact OG1-CD1 3.26Å; L202-F204 HydrophobicContact CB-CE2 3.86Å; L202-F204 HydrophobicContact CB-CZ 4.36Å; L202-F204 HydrophobicContact CD1-CE2 4.2Å; L202-F204 HydrophobicContact CD1-CZ 4.11Å
203	N	90.9	Very high	89.3	Confident	31 Å²	31	40.2 Å²	40.2	17%	0.166	21%	0.206	C	C	.	.			trans	-124.6	126.2	175	-165.3	-45.1	0	0	0	110	N205 H206 H423	N203-N205 PolarHBondContact OD1-N 3.43Å; N203-N205 PolarHBondContact OD1-OD1 3.3Å; N203-H206 WeakPolarHBondContact OD1-CA 3.18Å; N203-H206 WeakPolarHBondContact OD1-CB 3.32Å; N203-H206 PolarHBondContact OD1-N 3.11Å; N203-H206 PolarHBondContact OD1-O 3.27Å; N203-H423 PolarHBondContact O-NE2 3.38Å
204	F	94	Very high	90.1	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.018	18%	0.18	C	C	.	.	S	Bend	trans	-112.5	5.9	-173.2	-65.7	-82.8	0	0	0	113.8	R78 I79 G184 L202 C210 P421 I430	R78-F204 HydrophobicContact CB-CD2 4.14Å; R78-F204 HydrophobicContact CB-CE2 3.78Å; R78-F204 HydrophobicContact CB-CZ 4.15Å; I79-F204 HydrophobicContact CD1-CE1 4.41Å; I79-F204 HydrophobicContact CD1-CZ 3.94Å; G184-F204 WeakPolarHBondContact O-CA 3.09Å; G184-F204 WeakPolarHBondContact O-CB 3.07Å; G184-F204 PolarHBondContact O-N 2.91Å; L202-F204 HydrophobicContact CB-CE2 3.86Å; L202-F204 HydrophobicContact CB-CZ 4.36Å; L202-F204 HydrophobicContact CD1-CE2 4.2Å; L202-F204 HydrophobicContact CD1-CZ 4.11Å; F204-C210 PolarHBondContact O-SG 3.17Å; F204-P421 VanDerWaalsContact CD1-O 3.3Å; F204-P421 WeakPolarHBondContact CD1-O 3.48Å; F204-P421 HydrophobicContact CE1-CB 4.33Å; F204-P421 WeakPolarHBondContact CE1-O 3.4Å; F204-I430 HydrophobicContact CB-CB 3.72Å; F204-I430 HydrophobicContact CB-CG1 3.69Å; F204-I430 HydrophobicContact CB-CG2 3.79Å; F204-I430 HydrophobicContact CD1-CD1 4.37Å; F204-I430 HydrophobicContact CD1-CG1 3.73Å; F204-I430 HydrophobicContact CD2-CG2 4.35Å; F204-I430 HydrophobicContact CG-CB 4.27Å; F204-I430 HydrophobicContact CG-CG1 3.91Å; F204-I430 HydrophobicContact CG-CG2 4.01Å
205	N	95.6	Very high	90.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-136.1	-4.6	175.9	59.1	-3.1	0	0	0	114.6	H181 G184 S185 N203 F211 W214 H215	H181-N205 PolarHBondContact O-ND2 3.29Å; H181-N205 VanDerWaalsContact O-ND2 3.08Å; G184-N205 VanDerWaalsContact C-OD1 3.31Å; G184-N205 PolarHBondContact O-OD1 3.32Å; S185-N205 WeakPolarHBondContact CA-OD1 3.38Å; S185-N205 VanDerWaalsContact CB-OD1 3.26Å; S185-N205 WeakPolarHBondContact CB-OD1 3.37Å; S185-N205 PolarHBondContact N-OD1 3.41Å; N203-N205 PolarHBondContact OD1-N 3.43Å; N203-N205 PolarHBondContact OD1-OD1 3.3Å; N205-F211 WeakPolarHBondContact O-CA 3.37Å; N205-W214 HydrophobicContact CB-CB 4.21Å; N205-W214 HydrophobicContact CB-CD2 3.23Å; N205-W214 VanDerWaalsContact CB-CE2 3.47Å; N205-W214 HydrophobicContact CB-CE3 3.58Å; N205-W214 HydrophobicContact CB-CG 3.47Å; N205-W214 VanDerWaalsContact CB-CG 3.47Å; N205-W214 HydrophobicContact CB-CH2 4.4Å; N205-W214 HydrophobicContact CB-CZ2 4.07Å; N205-W214 HydrophobicContact CB-CZ3 4.17Å; N205-W214 WeakPolarHBondContact ND2-CH2 3.48Å; N205-W214 WeakPolarHBondContact ND2-CZ2 3.29Å; N205-H215 PolarHBondContact O-CE1 3Å; N205-H215 PolarHBondContact O-ND1 3.29Å
206	H	94.7	Very high	91.2	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.046	14%	0.143	C	C	.	.	S	Bend	trans	-138.9	169.7	177.7	-57.5	85.1	0	0	0	110.6	H181 N203 G208 F211 H215 E350	H181-H206 AromaticContact CD2-CE1 3.85Å; H181-H206 AromaticContact CE1-CE1 3.88Å; H181-H206 AromaticContact NE2-CE1 3.16Å; H181-H206 PolarHBondContact NE2-CE1 2.83Å; H181-H206 AromaticContact NE2-NE2 3.39Å; H181-H206 PolarHBondContact NE2-NE2 3.32Å; N203-H206 WeakPolarHBondContact OD1-CA 3.18Å; N203-H206 WeakPolarHBondContact OD1-CB 3.32Å; N203-H206 PolarHBondContact OD1-N 3.11Å; N203-H206 PolarHBondContact OD1-O 3.27Å; H206-G208 PolarHBondContact O-N 3.45Å; H206-F211 AromaticContact CD2-CD2 3.9Å; H206-F211 AromaticContact CD2-CE2 3.98Å; H206-H215 AromaticContact CD2-CE1 3.78Å; H206-H215 AromaticContact CE1-CE1 3.66Å; H206-H215 AromaticContact CE1-NE2 3.71Å; H206-H215 AromaticContact NE2-CE1 3.33Å; H206-H215 PolarHBondContact NE2-CE1 2.95Å; H206-H215 VanDerWaalsContact NE2-CE1 3.33Å; H206-H215 AromaticContact NE2-NE2 3.4Å; H206-H215 PolarHBondContact NE2-NE2 3.41Å; H206-E350 VanDerWaalsContact CA-OE1 3.24Å; H206-E350 WeakPolarHBondContact CA-OE1 3.18Å; H206-E350 WeakPolarHBondContact CB-OE1 3.37Å; H206-E350 IonicContact CD2-OE1 3.46Å; H206-E350 IonicContact CG-OE1 2.69Å
207	D	91	Very high	91.7	Very high	34 Å²	34	27.4 Å²	27.4	18%	0.182	14%	0.14	C	C	.	.	S	Bend	trans	50.1	43.5	178.7	-168.7	43.7	0	0	0	112.2	R337 E350 F352 R420	D207-R337 IonicContact OD1-CZ 2.71Å; D207-R337 IonicContact OD1-NE 3.62Å; D207-R337 PolarHBondContact OD1-NE 2.97Å; D207-R337 IonicContact OD1-NH2 3.49Å; D207-E350 VanDerWaalsContact N-CD 3.33Å; D207-E350 PolarHBondContact N-OE1 3.42Å; D207-E350 PolarHBondContact N-OE2 3.32Å; D207-F352 HydrophobicContact CB-CE2 3.68Å; D207-F352 HydrophobicContact CB-CZ 3.73Å; D207-R420 PolarHBondContact O-NH1 3.35Å; D207-R420 IonicContact OD2-CZ 2.62Å; D207-R420 IonicContact OD2-NH1 2.72Å; D207-R420 PolarHBondContact OD2-NH1 2.75Å; D207-R420 IonicContact OD2-NH2 3.38Å; D207-R420 PolarHBondContact OD2-NH2 3.49Å
208	G	92.4	Very high	92.3	Very high	13 Å²	13	21.5 Å²	21.5	13%	0.134	11%	0.112	C	C	.	.	S	Bend	trans	-175.6	-178.2	179.5	0	0	0	0	0	114	H206 C210 F211 N346 H423	H206-G208 PolarHBondContact O-N 3.45Å; G208-C210 PolarHBondContact O-N 3.29Å; G208-F211 PolarHBondContact O-N 3.25Å; G208-N346 PolarHBondContact O-ND2 3.31Å; G208-H423 WeakPolarHBondContact CA-ND1 3.45Å
209	V	95.3	Very high	92.9	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.6	-170.3	-58.5	0	0	0	0	112.2	F211 Y331 Y332 Y414 P415 V419 H423	V209-F211 VanDerWaalsContact C-N 3.32Å; V209-F211 PolarHBondContact O-N 2.89Å; V209-Y331 HydrophobicContact CB-CE1 4.37Å; V209-Y331 PolarHBondContact O-OH 3.11Å; V209-Y332 HydrophobicContact CG1-CD1 3.7Å; V209-Y332 HydrophobicContact CG1-CD2 3.37Å; V209-Y332 HydrophobicContact CG1-CE1 3.92Å; V209-Y332 HydrophobicContact CG1-CE2 3.63Å; V209-Y332 HydrophobicContact CG1-CG 3.38Å; V209-Y414 HydrophobicContact CG2-CE1 4.17Å; V209-Y414 PolarHBondContact O-OH 2.91Å; V209-P415 HydrophobicContact CB-CG 3.97Å; V209-P415 HydrophobicContact CG1-CG 3.7Å; V209-P415 HydrophobicContact CG2-CG 3.98Å; V209-V419 HydrophobicContact CG1-CG1 3.96Å; V209-V419 HydrophobicContact CG2-CB 4.17Å; V209-V419 HydrophobicContact CG2-CG1 3.78Å; V209-H423 HydrophobicContact CG2-CB 3.65Å; V209-H423 WeakPolarHBondContact CG2-O 3.27Å; V209-H423 PolarHBondContact N-ND1 3.09Å
210	C	96.1	Very high	93.6	Very high	1 Å²	1	14 Å²	14	1%	0.007	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11	179.8	68.2	0	0	0	0	114.8	F204 G208 T213 W214 Y414 H423	F204-C210 PolarHBondContact O-SG 3.17Å; G208-C210 PolarHBondContact O-N 3.29Å; C210-T213 PolarHBondContact O-N 3.37Å; C210-T213 PolarHBondContact O-OG1 3.13Å; C210-T213 VanDerWaalsContact O-OG1 3.11Å; C210-W214 VanDerWaalsContact O-CB 3.24Å; C210-W214 WeakPolarHBondContact O-CB 3.37Å; C210-W214 PolarHBondContact O-N 2.8Å; C210-Y414 WeakPolarHBondContact CA-OH 3.4Å; C210-H423 HydrophobicContact CB-CB 4.49Å; C210-H423 PolarHBondContact SG-CE1 3.27Å; C210-H423 PolarHBondContact SG-ND1 3.5Å; C210-H423 VanDerWaalsContact SG-ND1 3.37Å
211	F	97.9	Very high	94.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-48.3	-52.7	-174	166.6	-97.4	0	0	0	113.4	N205 H206 G208 V209 H215 L349 E350 H366 I396	N205-F211 WeakPolarHBondContact O-CA 3.37Å; H206-F211 AromaticContact CD2-CD2 3.9Å; H206-F211 AromaticContact CD2-CE2 3.98Å; G208-F211 PolarHBondContact O-N 3.25Å; V209-F211 VanDerWaalsContact C-N 3.32Å; V209-F211 PolarHBondContact O-N 2.89Å; F211-H215 AromaticContact CD2-CE1 3.43Å; F211-H215 VanDerWaalsContact CD2-CE1 3.43Å; F211-H215 WeakPolarHBondContact CD2-CE1 3.29Å; F211-H215 AromaticContact CD2-ND1 3.36Å; F211-H215 WeakPolarHBondContact CD2-ND1 3.48Å; F211-H215 AromaticContact CE2-CE1 3.51Å; F211-H215 AromaticContact CE2-ND1 3.52Å; F211-H215 WeakPolarHBondContact O-CB 3.14Å; F211-H215 PolarHBondContact O-N 2.83Å; F211-H215 PolarHBondContact O-ND1 3.34Å; F211-L349 HydrophobicContact CE1-CD2 4.25Å; F211-L349 HydrophobicContact CE1-CG 4.3Å; F211-E350 WeakPolarHBondContact CB-OE2 3.44Å; F211-E350 HydrophobicContact CD1-CB 3.72Å; F211-E350 HydrophobicContact CD1-CG 4.03Å; F211-E350 HydrophobicContact CD2-CB 4.44Å; F211-E350 HydrophobicContact CD2-CG 3.83Å; F211-E350 HydrophobicContact CE1-CB 3.84Å; F211-E350 HydrophobicContact CE1-CG 4.11Å; F211-E350 HydrophobicContact CE2-CG 3.91Å; F211-E350 HydrophobicContact CG-CB 4.05Å; F211-E350 HydrophobicContact CG-CG 3.91Å; F211-E350 HydrophobicContact CZ-CB 4.26Å; F211-E350 HydrophobicContact CZ-CG 4.05Å; F211-H366 AromaticContact CE2-CE1 3.63Å; F211-H366 AromaticContact CE2-NE2 3.64Å; F211-H366 HydrophobicContact CZ-CB 4.42Å; F211-H366 AromaticContact CZ-CD2 3.63Å; F211-H366 AromaticContact CZ-CE1 3.8Å; F211-H366 AromaticContact CZ-CG 3.75Å; F211-H366 AromaticContact CZ-ND1 3.85Å; F211-H366 AromaticContact CZ-NE2 3.64Å; F211-I396 HydrophobicContact CE1-CG2 4.04Å; F211-I396 HydrophobicContact CZ-CG2 4.2Å
212	P	98.4	Very high	95.8	Very high	5 Å²	5	7.3 Å²	7.3	3%	0.032	4%	0.044	C	C	.	.	H	α-helix	trans	-68.7	-38.4	-179.8	-17.9	32.3	0	0	0	113.3	R216 Y331 N346 L349 F400	P212-R216 VanDerWaalsContact O-CB 3.26Å; P212-R216 WeakPolarHBondContact O-CB 3.49Å; P212-R216 PolarHBondContact O-N 3.32Å; P212-Y331 HydrophobicContact CG-CE2 4.17Å; P212-N346 HydrophobicContact CG-CB 4.23Å; P212-L349 HydrophobicContact CB-CD2 4.25Å; P212-L349 HydrophobicContact CG-CD2 3.98Å; P212-F400 HydrophobicContact CB-CD1 3.6Å; P212-F400 HydrophobicContact CB-CD2 4.26Å; P212-F400 HydrophobicContact CB-CE1 3.6Å; P212-F400 HydrophobicContact CB-CE2 4.24Å; P212-F400 HydrophobicContact CB-CG 3.96Å; P212-F400 HydrophobicContact CB-CZ 3.93Å
213	T	98.3	Very high	96.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-76.9	-39.9	-175.3	49.7	0	0	0	0	112.6	C210 R216 Y217 Y414 N438 F441 F442	C210-T213 PolarHBondContact O-N 3.37Å; C210-T213 PolarHBondContact O-OG1 3.13Å; C210-T213 VanDerWaalsContact O-OG1 3.11Å; T213-R216 PolarHBondContact O-N 3.13Å; T213-Y217 PolarHBondContact O-N 2.8Å; T213-Y414 HydrophobicContact CG2-CD2 4.2Å; T213-Y414 HydrophobicContact CG2-CE2 3.52Å; T213-Y414 PolarHBondContact OG1-OH 3.34Å; T213-Y414 VanDerWaalsContact OG1-OH 3.06Å; T213-N438 PolarHBondContact OG1-OD1 3.42Å; T213-F441 HydrophobicContact CG2-CB 4.28Å; T213-F442 HydrophobicContact CG2-CB 4.01Å; T213-F442 HydrophobicContact CG2-CD2 4.29Å
214	W	98.3	Very high	96.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.1	-51.5	174.5	-169.5	105.6	0	0	0	109.9	H181 N205 C210 R216 Y217 Y218 V429 I430 I432	H181-W214 HydrophobicContact CB-CH2 4.31Å; H181-W214 AromaticContact CD2-CH2 4Å; H181-W214 AromaticContact CD2-CZ3 3.76Å; N205-W214 HydrophobicContact CB-CB 4.21Å; N205-W214 HydrophobicContact CB-CD2 3.23Å; N205-W214 VanDerWaalsContact CB-CE2 3.47Å; N205-W214 HydrophobicContact CB-CE3 3.58Å; N205-W214 HydrophobicContact CB-CG 3.47Å; N205-W214 VanDerWaalsContact CB-CG 3.47Å; N205-W214 HydrophobicContact CB-CH2 4.4Å; N205-W214 HydrophobicContact CB-CZ2 4.07Å; N205-W214 HydrophobicContact CB-CZ3 4.17Å; N205-W214 WeakPolarHBondContact ND2-CH2 3.48Å; N205-W214 WeakPolarHBondContact ND2-CZ2 3.29Å; C210-W214 VanDerWaalsContact O-CB 3.24Å; C210-W214 WeakPolarHBondContact O-CB 3.37Å; C210-W214 PolarHBondContact O-N 2.8Å; W214-R216 VanDerWaalsContact C-N 3.32Å; W214-R216 PolarHBondContact O-N 2.91Å; W214-Y217 PolarHBondContact O-N 2.9Å; W214-Y218 HydrophobicContact CE3-CG 4.26Å; W214-Y218 AromaticContact CH2-CD2 3.38Å; W214-Y218 HydrophobicContact CH2-CD2 3.38Å; W214-Y218 AromaticContact CH2-CE2 3.84Å; W214-Y218 HydrophobicContact CH2-CE2 3.84Å; W214-Y218 AromaticContact CH2-CG 3.81Å; W214-Y218 HydrophobicContact CH2-CG 3.81Å; W214-Y218 HydrophobicContact CZ2-CD2 4.32Å; W214-Y218 HydrophobicContact CZ3-CD1 4.07Å; W214-Y218 AromaticContact CZ3-CD2 3.58Å; W214-Y218 HydrophobicContact CZ3-CD2 3.58Å; W214-Y218 HydrophobicContact CZ3-CE2 4.17Å; W214-Y218 AromaticContact CZ3-CG 3.47Å; W214-Y218 HydrophobicContact CZ3-CG 3.47Å; W214-Y218 VanDerWaalsContact CZ3-CG 3.47Å; W214-Y218 VanDerWaalsContact O-CB 3.23Å; W214-Y218 WeakPolarHBondContact O-CB 3.01Å; W214-Y218 PolarHBondContact O-N 2.87Å; W214-V429 HydrophobicContact CB-CG1 4.25Å; W214-V429 HydrophobicContact CG-CG1 3.8Å; W214-I430 PolarHBondContact NE1-O 3.26Å; W214-I432 HydrophobicContact CD2-CD1 4.47Å; W214-I432 HydrophobicContact CZ2-CD1 4.08Å; W214-I432 HydrophobicContact CZ2-CG1 4.3Å
215	H	98.7	Very high	96.9	Very high	13 Å²	13	6.3 Å²	6.3	6%	0.06	4%	0.037	C	C	.	.	H	α-helix	trans	-67.1	-30.9	-179.5	-73.6	93.8	0	0	0	113.1	H181 N205 H206 F211 G219 H393	H181-H215 AromaticContact CD2-NE2 3.7Å; H181-H215 AromaticContact NE2-NE2 3.32Å; H181-H215 PolarHBondContact NE2-NE2 2.95Å; N205-H215 PolarHBondContact O-CE1 3Å; N205-H215 PolarHBondContact O-ND1 3.29Å; H206-H215 AromaticContact CD2-CE1 3.78Å; H206-H215 AromaticContact CE1-CE1 3.66Å; H206-H215 AromaticContact CE1-NE2 3.71Å; H206-H215 AromaticContact NE2-CE1 3.33Å; H206-H215 PolarHBondContact NE2-CE1 2.95Å; H206-H215 VanDerWaalsContact NE2-CE1 3.33Å; H206-H215 AromaticContact NE2-NE2 3.4Å; H206-H215 PolarHBondContact NE2-NE2 3.41Å; F211-H215 AromaticContact CD2-CE1 3.43Å; F211-H215 VanDerWaalsContact CD2-CE1 3.43Å; F211-H215 WeakPolarHBondContact CD2-CE1 3.29Å; F211-H215 AromaticContact CD2-ND1 3.36Å; F211-H215 WeakPolarHBondContact CD2-ND1 3.48Å; F211-H215 AromaticContact CE2-CE1 3.51Å; F211-H215 AromaticContact CE2-ND1 3.52Å; F211-H215 WeakPolarHBondContact O-CB 3.14Å; F211-H215 PolarHBondContact O-N 2.83Å; F211-H215 PolarHBondContact O-ND1 3.34Å; H215-G219 PolarHBondContact O-N 3.45Å; H215-H393 AromaticContact CD2-CE1 3.34Å; H215-H393 PolarHBondContact CD2-CE1 3.19Å; H215-H393 AromaticContact CD2-ND1 3.31Å; H215-H393 PolarHBondContact CD2-ND1 2.99Å; H215-H393 VanDerWaalsContact CD2-ND1 3.31Å; H215-H393 AromaticContact CG-CE1 3.96Å; H215-H393 AromaticContact CG-ND1 3.72Å; H215-H393 AromaticContact NE2-CE1 3.54Å
216	R	98.5	Very high	97.1	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.008	4%	0.037	C	C	.	.	H	α-helix	trans	-64.1	-49.6	171.5	175.6	170.5	-71.5	176.8	-6.5	111.9	P212 T213 W214 Y218 G219 L220 D397 F400 F441 K443 L445	P212-R216 VanDerWaalsContact O-CB 3.26Å; P212-R216 WeakPolarHBondContact O-CB 3.49Å; P212-R216 PolarHBondContact O-N 3.32Å; T213-R216 PolarHBondContact O-N 3.13Å; W214-R216 VanDerWaalsContact C-N 3.32Å; W214-R216 PolarHBondContact O-N 2.91Å; R216-Y218 VanDerWaalsContact C-N 3.35Å; R216-G219 PolarHBondContact O-N 3.2Å; R216-L220 HydrophobicContact CG-CD1 4.01Å; R216-L220 HydrophobicContact CG-CG 4.49Å; R216-L220 WeakPolarHBondContact O-CB 3.45Å; R216-L220 VanDerWaalsContact O-CG 3.28Å; R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 3.16Å; R216-D397 IonicContact CZ-OD1 3.47Å; R216-D397 IonicContact NE-OD1 2.69Å; R216-D397 PolarHBondContact NE-OD1 3.05Å; R216-D397 IonicContact NE-OD2 3.16Å; R216-D397 IonicContact NH2-OD1 3.49Å; R216-D397 PolarHBondContact NH2-OD1 2.72Å; R216-F400 VanDerWaalsContact CZ-CE1 3.47Å; R216-F441 WeakPolarHBondContact CD-O 3.35Å; R216-F441 HydrophobicContact CG-CB 4.42Å; R216-F441 HydrophobicContact CG-CD1 4.39Å; R216-F441 PolarHBondContact NH1-O 2.9Å; R216-K443 PolarHBondContact NH1-O 3.25Å; R216-L445 HydrophobicContact CG-CD2 4.34Å
217	Y	98.5	Very high	97.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.2	-47.2	178.4	-177.3	-158.9	0	0	0	111	F97 F106 T213 W214 G219 L220 L221 V429 I432 P434 A436 F441	F97-Y217 HydrophobicContact CZ-CE2 4.22Å; F97-Y217 WeakPolarHBondContact CZ-OH 3.35Å; F106-Y217 AromaticContact CE2-CD2 3.83Å; F106-Y217 HydrophobicContact CE2-CD2 3.83Å; F106-Y217 AromaticContact CE2-CE2 3.67Å; F106-Y217 HydrophobicContact CE2-CE2 3.67Å; F106-Y217 AromaticContact CZ-CD2 3.98Å; F106-Y217 HydrophobicContact CZ-CD2 3.98Å; F106-Y217 AromaticContact CZ-CE2 3.74Å; F106-Y217 HydrophobicContact CZ-CE2 3.74Å; T213-Y217 PolarHBondContact O-N 2.8Å; W214-Y217 PolarHBondContact O-N 2.9Å; Y217-G219 VanDerWaalsContact C-N 3.35Å; Y217-G219 PolarHBondContact O-N 2.96Å; Y217-L220 PolarHBondContact O-N 3.13Å; Y217-L221 HydrophobicContact CE2-CB 4.48Å; Y217-L221 WeakPolarHBondContact O-CB 3.28Å; Y217-L221 PolarHBondContact O-N 3.33Å; Y217-V429 HydrophobicContact CD1-CB 3.9Å; Y217-V429 HydrophobicContact CD1-CG1 3.95Å; Y217-V429 HydrophobicContact CD1-CG2 4.03Å; Y217-V429 HydrophobicContact CE1-CB 4.49Å; Y217-I432 HydrophobicContact CD1-CB 3.99Å; Y217-I432 HydrophobicContact CD1-CD1 3.92Å; Y217-I432 HydrophobicContact CD1-CG2 3.78Å; Y217-I432 HydrophobicContact CE1-CB 3.65Å; Y217-I432 HydrophobicContact CE1-CD1 4.42Å; Y217-I432 HydrophobicContact CE1-CG2 3.22Å; Y217-I432 HydrophobicContact CE2-CG2 4.28Å; Y217-I432 HydrophobicContact CG-CD1 4.35Å; Y217-I432 VanDerWaalsContact CZ-CG2 3.48Å; Y217-P434 WeakPolarHBondContact OH-CD 3.48Å; Y217-P434 PolarHBondContact OH-O 3.04Å; Y217-A436 HydrophobicContact CD1-CB 4.45Å; Y217-A436 HydrophobicContact CE1-CB 4.02Å; Y217-F441 HydrophobicContact CD1-CD2 4.46Å; Y217-F441 AromaticContact CD1-CE2 3.58Å; Y217-F441 HydrophobicContact CD1-CE2 3.58Å; Y217-F441 AromaticContact CD1-CZ 3.65Å; Y217-F441 HydrophobicContact CD1-CZ 3.65Å; Y217-F441 HydrophobicContact CD2-CD1 4.47Å; Y217-F441 AromaticContact CD2-CE1 3.47Å; Y217-F441 HydrophobicContact CD2-CE1 3.47Å; Y217-F441 VanDerWaalsContact CD2-CE1 3.47Å; Y217-F441 AromaticContact CD2-CE2 3.98Å; Y217-F441 HydrophobicContact CD2-CE2 3.98Å; Y217-F441 AromaticContact CD2-CZ 3.17Å; Y217-F441 HydrophobicContact CD2-CZ 3.17Å; Y217-F441 HydrophobicContact CE1-CE2 4.26Å; Y217-F441 HydrophobicContact CE1-CZ 4.16Å; Y217-F441 HydrophobicContact CE2-CE1 4.33Å; Y217-F441 AromaticContact CE2-CZ 3.78Å; Y217-F441 HydrophobicContact CE2-CZ 3.78Å; Y217-F441 HydrophobicContact CG-CD1 4.33Å; Y217-F441 HydrophobicContact CG-CD2 4.16Å; Y217-F441 AromaticContact CG-CE1 3.63Å; Y217-F441 HydrophobicContact CG-CE1 3.63Å; Y217-F441 AromaticContact CG-CE2 3.42Å; Y217-F441 HydrophobicContact CG-CE2 3.42Å; Y217-F441 VanDerWaalsContact CG-CE2 3.42Å; Y217-F441 AromaticContact CG-CZ 3.13Å; Y217-F441 HydrophobicContact CG-CZ 3.13Å
218	Y	98.4	Very high	97.4	Very high	3 Å²	3	9 Å²	9	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-53.3	-48.8	175.2	174.4	-96.5	0	0	0	112.5	I177 L180 H181 W214 R216 L221 W222 S384 F389	I177-Y218 HydrophobicContact CB-CE2 4.48Å; I177-Y218 HydrophobicContact CD1-CD2 4.47Å; I177-Y218 HydrophobicContact CD1-CE2 4.11Å; I177-Y218 HydrophobicContact CG2-CE1 4.28Å; I177-Y218 HydrophobicContact CG2-CE2 3.91Å; I177-Y218 VanDerWaalsContact CG2-CZ 3.47Å; I177-Y218 WeakPolarHBondContact CG2-OH 3.39Å; I177-Y218 VanDerWaalsContact O-CE2 3.32Å; I177-Y218 WeakPolarHBondContact O-CE2 3.33Å; I177-Y218 PolarHBondContact O-OH 3.22Å; I177-Y218 VanDerWaalsContact O-OH 3.13Å; L180-Y218 HydrophobicContact CB-CD2 4.41Å; L180-Y218 HydrophobicContact CB-CE2 4.13Å; L180-Y218 HydrophobicContact CD1-CD2 4.45Å; H181-Y218 HydrophobicContact CB-CE2 4.22Å; W214-Y218 HydrophobicContact CE3-CG 4.26Å; W214-Y218 AromaticContact CH2-CD2 3.38Å; W214-Y218 HydrophobicContact CH2-CD2 3.38Å; W214-Y218 AromaticContact CH2-CE2 3.84Å; W214-Y218 HydrophobicContact CH2-CE2 3.84Å; W214-Y218 AromaticContact CH2-CG 3.81Å; W214-Y218 HydrophobicContact CH2-CG 3.81Å; W214-Y218 HydrophobicContact CZ2-CD2 4.32Å; W214-Y218 HydrophobicContact CZ3-CD1 4.07Å; W214-Y218 AromaticContact CZ3-CD2 3.58Å; W214-Y218 HydrophobicContact CZ3-CD2 3.58Å; W214-Y218 HydrophobicContact CZ3-CE2 4.17Å; W214-Y218 AromaticContact CZ3-CG 3.47Å; W214-Y218 HydrophobicContact CZ3-CG 3.47Å; W214-Y218 VanDerWaalsContact CZ3-CG 3.47Å; W214-Y218 VanDerWaalsContact O-CB 3.23Å; W214-Y218 WeakPolarHBondContact O-CB 3.01Å; W214-Y218 PolarHBondContact O-N 2.87Å; R216-Y218 VanDerWaalsContact C-N 3.35Å; Y218-L221 PolarHBondContact O-N 3.4Å; Y218-W222 HydrophobicContact CD1-CE3 4.47Å; Y218-W222 AromaticContact CE1-CE3 3.64Å; Y218-W222 HydrophobicContact CE1-CE3 3.64Å; Y218-W222 AromaticContact CE1-CZ3 3.91Å; Y218-W222 HydrophobicContact CE1-CZ3 3.91Å; Y218-W222 WeakPolarHBondContact O-CB 3.44Å; Y218-W222 PolarHBondContact O-N 3.16Å; Y218-S384 VanDerWaalsContact OH-CB 3.26Å; Y218-S384 WeakPolarHBondContact OH-CB 3.38Å; Y218-F389 AromaticContact CE1-CE1 3.82Å; Y218-F389 HydrophobicContact CE1-CE1 3.82Å; Y218-F389 HydrophobicContact CE1-CZ 4.47Å
219	G	98.4	Very high	97.7	Very high	14 Å²	14	8.4 Å²	8.4	14%	0.144	4%	0.043	C	C	.	.	H	α-helix	trans	-65.4	-39.1	178.3	0	0	0	0	0	113.3	H215 R216 Y217 W222 E223	H215-G219 PolarHBondContact O-N 3.45Å; R216-G219 PolarHBondContact O-N 3.2Å; Y217-G219 VanDerWaalsContact C-N 3.35Å; Y217-G219 PolarHBondContact O-N 2.96Å; G219-W222 PolarHBondContact O-N 3.32Å; G219-E223 VanDerWaalsContact O-CB 3.31Å; G219-E223 WeakPolarHBondContact O-CB 3.49Å; G219-E223 PolarHBondContact O-N 3.18Å
220	L	98.3	Very high	97.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65	-39.6	174.7	-73.1	170.7	0	0	0	112	F106 R216 Y217 R224 F441 F448 V450	F106-L220 HydrophobicContact CD1-CB 3.84Å; F106-L220 HydrophobicContact CD1-CD1 4.5Å; F106-L220 HydrophobicContact CD1-CD2 4.35Å; F106-L220 HydrophobicContact CD1-CG 4.47Å; F106-L220 HydrophobicContact CD2-CD1 4.2Å; F106-L220 HydrophobicContact CE1-CB 3.51Å; F106-L220 WeakPolarHBondContact CE1-O 3.28Å; F106-L220 HydrophobicContact CE2-CB 4.25Å; F106-L220 HydrophobicContact CE2-CD1 4.47Å; F106-L220 HydrophobicContact CG-CB 4.34Å; F106-L220 HydrophobicContact CG-CD1 4.21Å; F106-L220 HydrophobicContact CZ-CB 3.72Å; R216-L220 HydrophobicContact CG-CD1 4.01Å; R216-L220 HydrophobicContact CG-CG 4.49Å; R216-L220 WeakPolarHBondContact O-CB 3.45Å; R216-L220 VanDerWaalsContact O-CG 3.28Å; R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 3.16Å; Y217-L220 PolarHBondContact O-N 3.13Å; L220-R224 WeakPolarHBondContact O-CB 3.28Å; L220-R224 PolarHBondContact O-N 3.31Å; L220-F441 HydrophobicContact CD1-CD1 4.15Å; L220-F441 HydrophobicContact CD1-CE1 4.15Å; L220-F448 HydrophobicContact CD1-CB 4.28Å; L220-F448 HydrophobicContact CD1-CD1 4.39Å; L220-F448 HydrophobicContact CD1-CD2 4.08Å; L220-F448 HydrophobicContact CD1-CG 3.98Å; L220-F448 HydrophobicContact CD2-CB 4.34Å; L220-V450 HydrophobicContact CD2-CG2 3.84Å
221	L	97.1	Very high	97.9	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-67.5	-45.1	176.2	-177.4	62.2	0	0	0	111.4	Y176 L180 Y217 Y218 R224 L225 I432	Y176-L221 HydrophobicContact CE1-CD2 3.96Å; L180-L221 HydrophobicContact CD1-CD2 4.33Å; Y217-L221 HydrophobicContact CE2-CB 4.48Å; Y217-L221 WeakPolarHBondContact O-CB 3.28Å; Y217-L221 PolarHBondContact O-N 3.33Å; Y218-L221 PolarHBondContact O-N 3.4Å; L221-R224 PolarHBondContact O-N 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.24Å; L221-L225 PolarHBondContact O-N 3.37Å; L221-I432 HydrophobicContact CD2-CG2 3.6Å
222	W	98	Very high	98	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-47	176.4	-168	-1.5	0	0	0	111.4	I177 Y218 G219 R224 L225 M226 S384 F389 I390	I177-W222 HydrophobicContact CB-CD2 4.42Å; I177-W222 HydrophobicContact CD1-CB 3.74Å; I177-W222 HydrophobicContact CD1-CG 3.99Å; I177-W222 HydrophobicContact CG1-CB 4.17Å; I177-W222 HydrophobicContact CG1-CD2 4.18Å; I177-W222 HydrophobicContact CG1-CG 3.85Å; I177-W222 HydrophobicContact CG2-CD2 3.48Å; I177-W222 VanDerWaalsContact CG2-CD2 3.48Å; I177-W222 HydrophobicContact CG2-CE3 3.46Å; I177-W222 VanDerWaalsContact CG2-CE3 3.46Å; I177-W222 HydrophobicContact CG2-CG 4.07Å; I177-W222 HydrophobicContact CG2-CH2 3.88Å; I177-W222 HydrophobicContact CG2-CZ2 3.91Å; I177-W222 HydrophobicContact CG2-CZ3 3.65Å; Y218-W222 HydrophobicContact CD1-CE3 4.47Å; Y218-W222 AromaticContact CE1-CE3 3.64Å; Y218-W222 HydrophobicContact CE1-CE3 3.64Å; Y218-W222 AromaticContact CE1-CZ3 3.91Å; Y218-W222 HydrophobicContact CE1-CZ3 3.91Å; Y218-W222 WeakPolarHBondContact O-CB 3.44Å; Y218-W222 PolarHBondContact O-N 3.16Å; G219-W222 PolarHBondContact O-N 3.32Å; W222-R224 VanDerWaalsContact C-N 3.33Å; W222-R224 PolarHBondContact O-N 3.34Å; W222-L225 PolarHBondContact O-N 2.84Å; W222-M226 HydrophobicContact CG-CE 4.06Å; W222-M226 PolarHBondContact O-N 3.39Å; W222-S384 WeakPolarHBondContact CH2-O 3.43Å; W222-F389 HydrophobicContact CH2-CD1 4.27Å; W222-F389 AromaticContact CZ3-CD1 3.72Å; W222-F389 HydrophobicContact CZ3-CD1 3.72Å; W222-F389 HydrophobicContact CZ3-CE1 4.08Å; W222-I390 HydrophobicContact CD2-CD1 3.48Å; W222-I390 VanDerWaalsContact CD2-CD1 3.48Å; W222-I390 HydrophobicContact CD2-CG1 4.18Å; W222-I390 HydrophobicContact CE3-CB 4.21Å; W222-I390 HydrophobicContact CE3-CD1 3.67Å; W222-I390 HydrophobicContact CE3-CG1 3.82Å; W222-I390 HydrophobicContact CG-CD1 3.95Å; W222-I390 HydrophobicContact CH2-CB 3.85Å; W222-I390 HydrophobicContact CH2-CD1 4.32Å; W222-I390 HydrophobicContact CH2-CG1 4.35Å; W222-I390 HydrophobicContact CZ2-CB 4.33Å; W222-I390 HydrophobicContact CZ2-CD1 4.15Å; W222-I390 HydrophobicContact CZ3-CB 3.8Å; W222-I390 HydrophobicContact CZ3-CD1 4.1Å; W222-I390 HydrophobicContact CZ3-CG1 3.94Å
223	E	98	Very high	98	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.9	-45.4	174.3	-176.1	178.3	94.3	0	0	111.1	R119 R121 G219 L225 M226 S227 T241	R119-E223 WeakPolarHBondContact CD-OE1 3.4Å; R119-E223 IonicContact NE-OE1 3.54Å; R119-E223 IonicContact NH1-OE1 3.59Å; R121-E223 IonicContact CZ-OE2 3.64Å; R121-E223 IonicContact NE-OE2 3.66Å; R121-E223 PolarHBondContact NE-OE2 2.9Å; R121-E223 VanDerWaalsContact NE-OE2 3.16Å; R121-E223 IonicContact NH2-OE2 2.75Å; R121-E223 PolarHBondContact NH2-OE2 3.48Å; G219-E223 VanDerWaalsContact O-CB 3.31Å; G219-E223 WeakPolarHBondContact O-CB 3.49Å; G219-E223 PolarHBondContact O-N 3.18Å; E223-L225 PolarHBondContact O-N 3.24Å; E223-M226 PolarHBondContact O-N 2.83Å; E223-S227 PolarHBondContact O-N 3.12Å; E223-S227 PolarHBondContact O-OG 3.31Å; E223-T241 HydrophobicContact CB-CG2 3.98Å; E223-T241 HydrophobicContact CG-CG2 4.03Å; E223-T241 PolarHBondContact OE2-N 3.43Å; E223-T241 PolarHBondContact OE2-OG1 3.07Å
224	R	96.7	Very high	97.9	Very high	24 Å²	24	27 Å²	27	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-45.2	176.1	178.5	-176.3	-77.8	136.4	-3.5	112.2	E103 C104 F106 L220 L221 W222 M226 S227 K228	E103-R224 IonicContact OE2-NE 2.72Å; C104-R224 PolarHBondContact O-NH2 3.39Å; F106-R224 VanDerWaalsContact CE1-NH2 3.32Å; L220-R224 WeakPolarHBondContact O-CB 3.28Å; L220-R224 PolarHBondContact O-N 3.31Å; L221-R224 PolarHBondContact O-N 3.39Å; W222-R224 VanDerWaalsContact C-N 3.33Å; W222-R224 PolarHBondContact O-N 3.34Å; R224-M226 VanDerWaalsContact C-N 3.35Å; R224-S227 PolarHBondContact O-N 3.31Å; R224-K228 PolarHBondContact O-N 2.89Å
225	L	97.2	Very high	97.9	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-43.6	178.2	-71.2	173.7	0	0	0	111.2	Y149 V173 Y176 I177 L221 W222 E223 K228 I229	Y149-L225 HydrophobicContact CE2-CD2 4.37Å; V173-L225 HydrophobicContact CG1-CB 3.77Å; V173-L225 HydrophobicContact CG1-CD1 4.15Å; V173-L225 HydrophobicContact CG2-CB 4.1Å; Y176-L225 HydrophobicContact CD1-CD1 3.78Å; Y176-L225 HydrophobicContact CE1-CD1 3.98Å; I177-L225 HydrophobicContact CD1-CD1 4.29Å; I177-L225 HydrophobicContact CG1-CD1 4.37Å; L221-L225 WeakPolarHBondContact O-CG 3.24Å; L221-L225 PolarHBondContact O-N 3.37Å; W222-L225 PolarHBondContact O-N 2.84Å; E223-L225 PolarHBondContact O-N 3.24Å; L225-K228 WeakPolarHBondContact O-CB 3.37Å; L225-K228 PolarHBondContact O-N 3Å; L225-I229 PolarHBondContact O-N 3.38Å
226	M	98	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-35.8	175.1	-76	-166.9	-64.3	0	0	113.1	V138 I139 W222 E223 R224 K228 I229 A230 F239 T241 I390	V138-M226 HydrophobicContact CG1-CB 3.56Å; V138-M226 HydrophobicContact CG1-CG 3.68Å; V138-M226 HydrophobicContact CG1-SD 3.96Å; I139-M226 HydrophobicContact CD1-SD 3.65Å; W222-M226 HydrophobicContact CG-CE 4.06Å; W222-M226 PolarHBondContact O-N 3.39Å; E223-M226 PolarHBondContact O-N 2.83Å; R224-M226 VanDerWaalsContact C-N 3.35Å; M226-K228 PolarHBondContact O-N 3.07Å; M226-I229 WeakPolarHBondContact O-CB 2.95Å; M226-I229 PolarHBondContact O-N 3.45Å; M226-I229 VanDerWaalsContact O-N 3.11Å; M226-A230 PolarHBondContact O-N 3.21Å; M226-F239 HydrophobicContact CB-CD1 4.17Å; M226-F239 HydrophobicContact CB-CE1 3.62Å; M226-F239 HydrophobicContact CB-CZ 4.24Å; M226-F239 HydrophobicContact CE-CE1 4.08Å; M226-F239 HydrophobicContact SD-CE1 4.38Å; M226-F239 HydrophobicContact SD-CZ 4.45Å; M226-T241 HydrophobicContact CE-CG2 3.35Å; M226-I390 HydrophobicContact CE-CD1 3.28Å; M226-I390 HydrophobicContact SD-CD1 4.46Å
227	S	96.8	Very high	97.5	Very high	12 Å²	12	34 Å²	34	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-33.8	173.3	-56.2	0	0	0	0	111.7	E223 R224 I229 A230 M231 F239	E223-S227 PolarHBondContact O-N 3.12Å; E223-S227 PolarHBondContact O-OG 3.31Å; R224-S227 PolarHBondContact O-N 3.31Å; S227-I229 VanDerWaalsContact C-N 3.32Å; S227-I229 PolarHBondContact O-N 3.02Å; S227-A230 PolarHBondContact O-N 3.06Å; S227-M231 VanDerWaalsContact O-CB 3.25Å; S227-M231 WeakPolarHBondContact O-CB 3.22Å; S227-M231 PolarHBondContact O-N 3.02Å; S227-F239 PolarHBondContact OG-O 2.83Å
228	K	96.7	Very high	97.2	Very high	90 Å²	90	36.1 Å²	36.1	39%	0.391	20%	0.197	S	C	.	.	H	α-helix	trans	-62.2	-41.1	174.6	-66.4	179	179.8	-177.3	0	111	E103 R224 L225 M226 K232	E103-K228 IonicContact OE1-NZ 3.5Å; E103-K228 PolarHBondContact OE1-NZ 3.22Å; R224-K228 PolarHBondContact O-N 2.89Å; L225-K228 WeakPolarHBondContact O-CB 3.37Å; L225-K228 PolarHBondContact O-N 3Å; M226-K228 PolarHBondContact O-N 3.07Å; K228-K232 WeakPolarHBondContact O-CB 3.26Å; K228-K232 PolarHBondContact O-N 3.47Å; K228-K232 VanDerWaalsContact O-N 3.12Å
229	I	98.4	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-51.8	174.3	-52.9	-179.7	0	0	0	110.2	V138 L141 W145 V173 L225 M226 S227 M231 K232 V233	V138-I229 HydrophobicContact CG1-CB 4.27Å; V138-I229 HydrophobicContact CG1-CD1 4.49Å; V138-I229 HydrophobicContact CG1-CG2 4.46Å; V138-I229 HydrophobicContact CG2-CG2 4.32Å; L141-I229 HydrophobicContact CB-CG2 3.96Å; L141-I229 HydrophobicContact CD1-CG2 3.92Å; W145-I229 HydrophobicContact CB-CD1 3.75Å; W145-I229 HydrophobicContact CB-CG1 4.23Å; W145-I229 HydrophobicContact CD2-CB 4.39Å; W145-I229 HydrophobicContact CD2-CD1 4.12Å; W145-I229 HydrophobicContact CD2-CG1 3.67Å; W145-I229 HydrophobicContact CD2-CG2 4.24Å; W145-I229 HydrophobicContact CE3-CB 4.48Å; W145-I229 HydrophobicContact CE3-CG1 4.17Å; W145-I229 HydrophobicContact CE3-CG2 3.85Å; W145-I229 HydrophobicContact CG-CD1 3.77Å; W145-I229 HydrophobicContact CG-CG1 3.68Å; W145-I229 HydrophobicContact CH2-CG2 4.36Å; W145-I229 HydrophobicContact CZ3-CG2 3.92Å; V173-I229 HydrophobicContact CG2-CD1 4.37Å; L225-I229 PolarHBondContact O-N 3.38Å; M226-I229 WeakPolarHBondContact O-CB 2.95Å; M226-I229 PolarHBondContact O-N 3.45Å; M226-I229 VanDerWaalsContact O-N 3.11Å; S227-I229 VanDerWaalsContact C-N 3.32Å; S227-I229 PolarHBondContact O-N 3.02Å; I229-M231 VanDerWaalsContact C-N 3.29Å; I229-M231 PolarHBondContact O-N 2.81Å; I229-K232 PolarHBondContact O-N 2.92Å; I229-K232 VanDerWaalsContact O-N 3.12Å; I229-V233 HydrophobicContact CG2-CG2 4.1Å; I229-V233 WeakPolarHBondContact O-CB 3.5Å; I229-V233 WeakPolarHBondContact O-CG2 3.23Å; I229-V233 PolarHBondContact O-N 3.25Å
230	A	98.5	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-41	-178.8	0	0	0	0	0	112.2	V138 M226 S227 F234 G235 I236 F239	V138-A230 HydrophobicContact CG2-CB 3.98Å; M226-A230 PolarHBondContact O-N 3.21Å; S227-A230 PolarHBondContact O-N 3.06Å; A230-F234 CarbonylContact O-C 3.56Å; A230-F234 WeakPolarHBondContact O-CA 3.32Å; A230-F234 WeakPolarHBondContact O-CB 3.49Å; A230-F234 PolarHBondContact O-N 2.96Å; A230-G235 PolarHBondContact O-N 2.89Å; A230-I236 HydrophobicContact CB-CB 4.46Å; A230-I236 PolarHBondContact O-N 3.35Å; A230-F239 HydrophobicContact CB-CB 3.79Å; A230-F239 HydrophobicContact CB-CD2 3.73Å; A230-F239 HydrophobicContact CB-CG 3.85Å
231	M	97.5	Very high	97.1	Very high	105 Å²	105	35.7 Å²	35.7	52%	0.517	19%	0.192	S	C	.	.	H	α-helix	trans	-63.7	-46.6	175.4	-176.8	-175	71.1	0	0	111.5	S227 I229 G235 I236 T237	S227-M231 VanDerWaalsContact O-CB 3.25Å; S227-M231 WeakPolarHBondContact O-CB 3.22Å; S227-M231 PolarHBondContact O-N 3.02Å; I229-M231 VanDerWaalsContact C-N 3.29Å; I229-M231 PolarHBondContact O-N 2.81Å; M231-G235 WeakPolarHBondContact O-CA 3.41Å; M231-G235 PolarHBondContact O-N 2.99Å; M231-I236 WeakPolarHBondContact CA-O 3.44Å; M231-I236 WeakPolarHBondContact CB-O 3.45Å; M231-I236 PolarHBondContact N-O 3.33Å; M231-T237 HydrophobicContact CG-CG2 4.45Å
232	K	98.3	Very high	97.1	Very high	161 Å²	161	35.9 Å²	35.9	70%	0.7	19%	0.193	S	C	*	.	H	α-helix	trans	-69.6	-35.7	-176.9	-176.3	62.1	177	-175.7	0	112.9	W145 K228 I229	W145-K232 HydrophobicContact CH2-CB 3.81Å; W145-K232 HydrophobicContact CH2-CG 3.65Å; W145-K232 HydrophobicContact CZ2-CB 3.89Å; W145-K232 HydrophobicContact CZ2-CG 3.88Å; K228-K232 WeakPolarHBondContact O-CB 3.26Å; K228-K232 PolarHBondContact O-N 3.47Å; K228-K232 VanDerWaalsContact O-N 3.12Å; I229-K232 PolarHBondContact O-N 2.92Å; I229-K232 VanDerWaalsContact O-N 3.12Å
233	V	98.4	Very high	97.2	Very high	64 Å²	64	35.8 Å²	35.8	39%	0.388	19%	0.193	S	C	.	.	H	α-helix	trans	-91.7	-38.9	-173.9	178.8	0	0	0	0	112.2	L141 W145 I229	L141-V233 HydrophobicContact CD1-CG1 4.37Å; L141-V233 HydrophobicContact CD1-CG2 3.74Å; W145-V233 HydrophobicContact CH2-CG2 3.96Å; W145-V233 HydrophobicContact CZ3-CG2 3.84Å; I229-V233 HydrophobicContact CG2-CG2 4.1Å; I229-V233 WeakPolarHBondContact O-CB 3.5Å; I229-V233 WeakPolarHBondContact O-CG2 3.23Å; I229-V233 PolarHBondContact O-N 3.25Å
234	F	98.2	Very high	97.2	Very high	70 Å²	70	35.9 Å²	35.9	31%	0.307	19%	0.193	S	C	.	.	H	α-helix	trans	-120.3	-5.3	-172.3	-59.6	-74.8	0	0	0	114.1	I134 T137 V138 A230 I236	I134-F234 HydrophobicContact CB-CD2 4.48Å; I134-F234 HydrophobicContact CB-CE2 4.34Å; I134-F234 HydrophobicContact CG1-CD1 4.07Å; I134-F234 HydrophobicContact CG1-CD2 4.21Å; I134-F234 HydrophobicContact CG1-CE1 4.11Å; I134-F234 HydrophobicContact CG1-CE2 4.25Å; I134-F234 HydrophobicContact CG1-CG 4.11Å; I134-F234 HydrophobicContact CG1-CZ 4.2Å; I134-F234 HydrophobicContact CG2-CD2 3.94Å; I134-F234 HydrophobicContact CG2-CE2 4.1Å; T137-F234 HydrophobicContact CG2-CE2 3.98Å; T137-F234 HydrophobicContact CG2-CZ 3.73Å; V138-F234 HydrophobicContact CG2-CE2 4.35Å; A230-F234 CarbonylContact O-C 3.56Å; A230-F234 WeakPolarHBondContact O-CA 3.32Å; A230-F234 WeakPolarHBondContact O-CB 3.49Å; A230-F234 PolarHBondContact O-N 2.96Å; F234-I236 HydrophobicContact CB-CD1 3.72Å; F234-I236 HydrophobicContact CB-CG1 3.92Å; F234-I236 HydrophobicContact CG-CD1 4.46Å; F234-I236 PolarHBondContact O-N 3.26Å
235	G	97.6	Very high	97.3	Very high	57 Å²	57	34.8 Å²	34.8	59%	0.588	19%	0.189	S	C	*	.			trans	73	12.6	-175.4	0	0	0	0	0	114.5	A230 M231	A230-G235 PolarHBondContact O-N 2.89Å; M231-G235 WeakPolarHBondContact O-CA 3.41Å; M231-G235 PolarHBondContact O-N 2.99Å
236	I	96	Very high	97.3	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.067	19%	0.187	C	C	.	.			trans	-86.7	124.9	-175.7	-63.3	168.8	0	0	0	110	I134 A230 M231 F234 D238 F239 Y481	I134-I236 HydrophobicContact CD1-CD1 3.45Å; I134-I236 VanDerWaalsContact CD1-CD1 3.45Å; I134-I236 HydrophobicContact CG1-CD1 4.09Å; I134-I236 HydrophobicContact CG2-CD1 3.93Å; A230-I236 HydrophobicContact CB-CB 4.46Å; A230-I236 PolarHBondContact O-N 3.35Å; M231-I236 WeakPolarHBondContact CA-O 3.44Å; M231-I236 WeakPolarHBondContact CB-O 3.45Å; M231-I236 PolarHBondContact N-O 3.33Å; F234-I236 HydrophobicContact CB-CD1 3.72Å; F234-I236 HydrophobicContact CB-CG1 3.92Å; F234-I236 HydrophobicContact CG-CD1 4.46Å; F234-I236 PolarHBondContact O-N 3.26Å; I236-D238 WeakPolarHBondContact CG2-OD1 3.46Å; I236-F239 HydrophobicContact CG2-CB 4.16Å; I236-Y481 HydrophobicContact CG2-CD1 3.71Å; I236-Y481 HydrophobicContact CG2-CE1 4.37Å; I236-Y481 HydrophobicContact CG2-CG 4.33Å
237	T	92.3	Very high	97.3	Very high	91 Å²	91	34.6 Å²	34.6	56%	0.558	19%	0.188	S	C	*	.	S	Bend	trans	-104.2	-13.1	-174.1	62.3	0	0	0	0	114.2	M231	M231-T237 HydrophobicContact CG-CG2 4.45Å
238	D	93.1	Very high	97.4	Very high	45 Å²	45	34.2 Å²	34.2	24%	0.241	19%	0.186	C	C	.	.	S	Bend	trans	-117	15.7	-173.2	61.7	-28.3	0	0	0	113	I236 A240 Y481	I236-D238 WeakPolarHBondContact CG2-OD1 3.46Å; D238-A240 PolarHBondContact O-N 2.86Å; D238-Y481 WeakPolarHBondContact O-CE1 3.42Å; D238-Y481 WeakPolarHBondContact OD1-CD1 3.38Å
239	F	96.7	Very high	97.4	Very high	5 Å²	5	30 Å²	30	2%	0.022	17%	0.168	C	C	.	.			trans	-43	125.6	175.4	178	-86.4	0	0	0	111.7	R119 I134 F135 V138 M226 S227 A230 I236 T241 Y481	R119-F239 WeakPolarHBondContact CD-O 3.35Å; I134-F239 HydrophobicContact CG2-CD2 4.35Å; I134-F239 HydrophobicContact CG2-CE2 4.38Å; F135-F239 HydrophobicContact CD2-CZ 4.3Å; V138-F239 HydrophobicContact CB-CE2 4.38Å; V138-F239 HydrophobicContact CB-CZ 4.46Å; V138-F239 HydrophobicContact CG1-CE2 4.39Å; V138-F239 HydrophobicContact CG1-CZ 4.09Å; V138-F239 HydrophobicContact CG2-CE2 4.18Å; M226-F239 HydrophobicContact CB-CD1 4.17Å; M226-F239 HydrophobicContact CB-CE1 3.62Å; M226-F239 HydrophobicContact CB-CZ 4.24Å; M226-F239 HydrophobicContact CE-CE1 4.08Å; M226-F239 HydrophobicContact SD-CE1 4.38Å; M226-F239 HydrophobicContact SD-CZ 4.45Å; S227-F239 PolarHBondContact OG-O 2.83Å; A230-F239 HydrophobicContact CB-CB 3.79Å; A230-F239 HydrophobicContact CB-CD2 3.73Å; A230-F239 HydrophobicContact CB-CG 3.85Å; I236-F239 HydrophobicContact CG2-CB 4.16Å; F239-T241 HydrophobicContact CE1-CG2 4.25Å; F239-Y481 VanDerWaalsContact CA-CE1 3.5Å
240	A	97.4	Very high	97.3	Very high	2 Å²	2	33 Å²	33	2%	0.017	19%	0.186	C	C	.	.			trans	-130.4	142.5	178.4	0	0	0	0	0	110.2	R119 I120 R121 D238 Y481	R119-A240 HydrophobicContact CB-CB 3.91Å; I120-A240 WeakPolarHBondContact O-CB 3.24Å; R121-A240 HydrophobicContact CG-CB 4.14Å; D238-A240 PolarHBondContact O-N 2.86Å; A240-Y481 WeakPolarHBondContact CA-OH 3.12Å; A240-Y481 WeakPolarHBondContact CB-OH 3.43Å; A240-Y481 PolarHBondContact N-OH 3.2Å; A240-Y481 PolarHBondContact O-OH 3.29Å
241	T	97.6	Very high	97.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.213	C	C	.	.			trans	-70.8	132.5	-179.5	55.4	0	0	0	0	110.7	R121 E223 M226 F239 I390 T394	R121-T241 VanDerWaalsContact CB-O 3.32Å; R121-T241 WeakPolarHBondContact CB-O 3.36Å; R121-T241 VanDerWaalsContact CG-O 3.23Å; R121-T241 WeakPolarHBondContact CG-O 3.41Å; R121-T241 PolarHBondContact NE-OG1 2.77Å; E223-T241 HydrophobicContact CB-CG2 3.98Å; E223-T241 HydrophobicContact CG-CG2 4.03Å; E223-T241 PolarHBondContact OE2-N 3.43Å; E223-T241 PolarHBondContact OE2-OG1 3.07Å; M226-T241 HydrophobicContact CE-CG2 3.35Å; F239-T241 HydrophobicContact CE1-CG2 4.25Å; T241-I390 HydrophobicContact CG2-CD1 3.57Å; T241-I390 HydrophobicContact CG2-CG1 4.36Å; T241-T394 PolarHBondContact OG1-OG1 2.77Å
242	P	98.4	Very high	97.1	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.032	19%	0.194	C	C	.	.			trans	-69.4	163.8	170.5	25.1	-26	0	0	0	110.8	R122 I124 L127 F135 L391	R122-P242 CarbonylContact O-C 3.45Å; R122-P242 WeakPolarHBondContact O-CA 3.44Å; R122-P242 VanDerWaalsContact O-CB 3.26Å; R122-P242 WeakPolarHBondContact O-CB 3.28Å; I124-P242 HydrophobicContact CB-CB 4.03Å; I124-P242 HydrophobicContact CG1-CB 4.38Å; I124-P242 HydrophobicContact CG1-CG 4.39Å; L127-P242 HydrophobicContact CD1-CB 3.93Å; L127-P242 HydrophobicContact CD1-CG 4.05Å; F135-P242 HydrophobicContact CD1-CG 4.31Å; F135-P242 HydrophobicContact CD2-CG 3.82Å; F135-P242 HydrophobicContact CE1-CG 4.36Å; F135-P242 HydrophobicContact CE2-CG 3.88Å; F135-P242 HydrophobicContact CG-CG 4.05Å; F135-P242 HydrophobicContact CZ-CG 4.16Å; P242-L391 HydrophobicContact CB-CD2 4.12Å; P242-L391 HydrophobicContact CG-CD2 3.64Å; P242-L391 VanDerWaalsContact O-CD2 3.32Å; P242-L391 WeakPolarHBondContact O-CD2 3.35Å
243	Y	98.7	Very high	97.1	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-118	164.7	171.4	66.1	-92.8	0	0	0	110.5	R121 R122 D123 I124 D245 F395 K398 Y452 D453 N454	R121-Y243 HydrophobicContact CB-CD1 4.33Å; R121-Y243 WeakPolarHBondContact O-CE1 3.45Å; R122-Y243 WeakPolarHBondContact O-CD1 3.06Å; R122-Y243 PolarHBondContact O-N 2.72Å; D123-Y243 CarbonylContact C-O 3.59Å; D123-Y243 WeakPolarHBondContact CA-O 3.45Å; D123-Y243 HydrophobicContact CB-CD2 4.33Å; D123-Y243 HydrophobicContact CB-CE1 4.42Å; D123-Y243 HydrophobicContact CB-CE2 3.69Å; I124-Y243 PolarHBondContact N-O 3.38Å; Y243-D245 HydrophobicContact CD2-CB 4.34Å; Y243-D245 HydrophobicContact CE2-CB 4.05Å; Y243-F395 AromaticContact CD2-CD2 3.58Å; Y243-F395 HydrophobicContact CD2-CD2 3.58Å; Y243-F395 HydrophobicContact CD2-CE2 4.25Å; Y243-F395 HydrophobicContact CD2-CG 4.46Å; Y243-F395 HydrophobicContact CE2-CD2 4.13Å; Y243-F395 HydrophobicContact CE2-CE2 4.37Å; Y243-F395 HydrophobicContact CG-CD2 4.35Å; Y243-K398 HydrophobicContact CD2-CD 4.41Å; Y243-K398 HydrophobicContact CE1-CD 4.4Å; Y243-K398 HydrophobicContact CE2-CD 4.11Å; Y243-K398 PolarHBondContact OH-NZ 3.19Å; Y243-Y452 AromaticContact CD1-CD1 3.65Å; Y243-Y452 HydrophobicContact CD1-CD1 3.65Å; Y243-Y452 AromaticContact CD1-CE1 3.85Å; Y243-Y452 HydrophobicContact CD1-CE1 3.85Å; Y243-Y452 AromaticContact CE1-CD1 3.65Å; Y243-Y452 HydrophobicContact CE1-CD1 3.65Å; Y243-Y452 HydrophobicContact CE1-CE1 4.31Å; Y243-Y452 HydrophobicContact CG-CE1 4.45Å; Y243-D453 VanDerWaalsContact CE1-OD1 3.26Å; Y243-D453 WeakPolarHBondContact CE1-OD1 3.29Å; Y243-D453 PolarHBondContact OH-OD1 2.89Å; Y243-N454 PolarHBondContact OH-ND2 3.39Å
244	W	98.7	Very high	97.1	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	15%	0.15	C	C	.	.			trans	-120.3	107.1	171.7	172.7	45.8	0	0	0	109.3	I124 W246 L249 C252 D253 I254 L316 L369 L388 L391 F395	I124-W244 HydrophobicContact CG2-CB 4.44Å; W244-W246 VanDerWaalsContact C-N 3.33Å; W244-W246 HydrophobicContact CD2-CB 3.87Å; W244-W246 HydrophobicContact CE3-CB 3.99Å; W244-W246 AromaticContact CE3-CD1 3.94Å; W244-W246 HydrophobicContact CE3-CG 4.36Å; W244-W246 HydrophobicContact CH2-CB 3.88Å; W244-W246 HydrophobicContact CZ2-CB 3.74Å; W244-W246 HydrophobicContact CZ3-CB 4.02Å; W244-W246 HydrophobicContact CZ3-CG 4.47Å; W244-W246 VanDerWaalsContact O-CD1 3.28Å; W244-W246 PolarHBondContact O-N 2.97Å; W244-L249 HydrophobicContact CZ2-CD1 3.66Å; W244-C252 HydrophobicContact CH2-CB 4.03Å; W244-C252 HydrophobicContact CZ2-CB 4.23Å; W244-D253 PolarHBondContact NE1-OD1 3.49Å; W244-I254 HydrophobicContact CB-CD1 3.75Å; W244-I254 HydrophobicContact CD2-CD1 3.63Å; W244-I254 HydrophobicContact CD2-CG1 3.92Å; W244-I254 HydrophobicContact CE3-CD1 4.14Å; W244-I254 HydrophobicContact CG-CD1 3.43Å; W244-I254 VanDerWaalsContact CG-CD1 3.43Å; W244-I254 HydrophobicContact CG-CG1 4Å; W244-I254 HydrophobicContact CG-CG2 4.48Å; W244-I254 HydrophobicContact CZ2-CG1 4.41Å; W244-L316 HydrophobicContact CH2-CD1 3.79Å; W244-L316 HydrophobicContact CZ2-CD1 3.95Å; W244-L369 HydrophobicContact CE3-CD1 3.97Å; W244-L369 HydrophobicContact CH2-CD1 4.08Å; W244-L369 HydrophobicContact CZ3-CD1 3.33Å; W244-L369 HydrophobicContact CZ3-CG 4.22Å; W244-L388 HydrophobicContact CD2-CD1 4.34Å; W244-L388 HydrophobicContact CE3-CD1 3.51Å; W244-L388 HydrophobicContact CE3-CG 4.5Å; W244-L388 HydrophobicContact CZ3-CD1 3.64Å; W244-L388 HydrophobicContact CZ3-CD2 4.38Å; W244-L388 HydrophobicContact CZ3-CG 4.33Å; W244-L391 HydrophobicContact CB-CB 3.9Å; W244-L391 PolarHBondContact N-O 3.22Å; W244-F395 WeakPolarHBondContact O-CB 3.06Å; W244-F395 WeakPolarHBondContact O-CG 3.38Å
245	D	98.6	Very high	97	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.011	14%	0.139	C	C	.	.			trans	-73.9	89.6	172.8	177	9.3	0	0	0	109.7	D123 R125 Y243 T247 F395 F457 G458 R459	D123-D245 VanDerWaalsContact OD2-CB 3.31Å; D123-D245 WeakPolarHBondContact OD2-CB 3.47Å; D123-D245 PolarHBondContact OD2-N 3.32Å; R125-D245 PolarHBondContact NH1-O 3.11Å; R125-D245 PolarHBondContact NH2-O 3.12Å; Y243-D245 HydrophobicContact CD2-CB 4.34Å; Y243-D245 HydrophobicContact CE2-CB 4.05Å; D245-T247 PolarHBondContact O-N 2.99Å; D245-T247 VanDerWaalsContact OD1-CB 3.23Å; D245-T247 WeakPolarHBondContact OD1-CB 3.4Å; D245-T247 PolarHBondContact OD1-N 3.41Å; D245-T247 PolarHBondContact OD1-OG1 3.2Å; D245-F395 HydrophobicContact CB-CD2 4.17Å; D245-F395 HydrophobicContact CB-CE2 3.58Å; D245-F395 HydrophobicContact CB-CZ 3.83Å; D245-F395 WeakPolarHBondContact OD1-CZ 3.46Å; D245-F457 WeakPolarHBondContact OD2-CA 3.47Å; D245-G458 VanDerWaalsContact CG-N 3.27Å; D245-G458 PolarHBondContact OD1-N 3.42Å; D245-G458 PolarHBondContact OD2-N 2.77Å; D245-R459 PolarHBondContact OD2-N 2.91Å
246	W	98.3	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.			trans	-81.1	0.4	-178.6	49	-107.2	0	0	0	113.6	W244 G248 L249 L316 P317 F365 L369 H392 F395 I396	W244-W246 VanDerWaalsContact C-N 3.33Å; W244-W246 HydrophobicContact CD2-CB 3.87Å; W244-W246 HydrophobicContact CE3-CB 3.99Å; W244-W246 AromaticContact CE3-CD1 3.94Å; W244-W246 HydrophobicContact CE3-CG 4.36Å; W244-W246 HydrophobicContact CH2-CB 3.88Å; W244-W246 HydrophobicContact CZ2-CB 3.74Å; W244-W246 HydrophobicContact CZ3-CB 4.02Å; W244-W246 HydrophobicContact CZ3-CG 4.47Å; W244-W246 VanDerWaalsContact O-CD1 3.28Å; W244-W246 PolarHBondContact O-N 2.97Å; W246-G248 PolarHBondContact O-N 2.88Å; W246-L249 HydrophobicContact CB-CD1 4.32Å; W246-L249 WeakPolarHBondContact O-CB 3.31Å; W246-L249 WeakPolarHBondContact O-CG 3.37Å; W246-L249 PolarHBondContact O-N 3Å; W246-L316 HydrophobicContact CB-CD1 4.12Å; W246-L316 HydrophobicContact CB-CD2 4.47Å; W246-L316 HydrophobicContact CE3-CB 4.32Å; W246-P317 HydrophobicContact CE3-CB 4.37Å; W246-P317 HydrophobicContact CE3-CG 4.03Å; W246-P317 HydrophobicContact CH2-CB 3.93Å; W246-P317 HydrophobicContact CH2-CG 3.61Å; W246-P317 HydrophobicContact CZ3-CB 3.44Å; W246-P317 VanDerWaalsContact CZ3-CB 3.44Å; W246-P317 HydrophobicContact CZ3-CG 3.31Å; W246-P317 WeakPolarHBondContact CZ3-O 3.26Å; W246-F365 HydrophobicContact CH2-CD1 4.38Å; W246-F365 HydrophobicContact CH2-CD2 4.09Å; W246-F365 HydrophobicContact CH2-CE1 4.22Å; W246-F365 AromaticContact CH2-CE2 3.89Å; W246-F365 HydrophobicContact CH2-CE2 3.89Å; W246-F365 HydrophobicContact CH2-CG 4.34Å; W246-F365 AromaticContact CH2-CZ 3.99Å; W246-F365 HydrophobicContact CH2-CZ 3.99Å; W246-F365 HydrophobicContact CZ3-CE2 4.48Å; W246-L369 HydrophobicContact CB-CD1 4.31Å; W246-L369 VanDerWaalsContact CD1-CD1 3.41Å; W246-L369 HydrophobicContact CD2-CD1 4.27Å; W246-L369 HydrophobicContact CG-CD1 3.74Å; W246-H392 AromaticContact CD1-ND1 3.67Å; W246-H392 AromaticContact CE2-CE1 3.95Å; W246-H392 AromaticContact CE2-ND1 3.93Å; W246-H392 AromaticContact NE1-CE1 3.47Å; W246-H392 PolarHBondContact NE1-CE1 2.73Å; W246-H392 AromaticContact NE1-ND1 3.02Å; W246-H392 PolarHBondContact NE1-ND1 3.15Å; W246-F395 AromaticContact CD1-CD1 3.83Å; W246-F395 HydrophobicContact CD2-CD1 4.19Å; W246-F395 HydrophobicContact CD2-CE1 4.14Å; W246-F395 AromaticContact CE2-CD1 3.64Å; W246-F395 AromaticContact CE2-CE1 3.91Å; W246-F395 HydrophobicContact CG-CD1 4.33Å; W246-F395 HydrophobicContact CG-CE1 4.49Å; W246-F395 HydrophobicContact CZ2-CD1 4.03Å; W246-F395 HydrophobicContact CZ2-CE1 4.16Å; W246-F395 AromaticContact NE1-CD1 3.4Å; W246-I396 HydrophobicContact CZ2-CD1 3.95Å
247	T	98.4	Very high	97.2	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	123.1	-172.1	-43.3	0	0	0	0	110.9	D245 L249 P317 V319 L322 F395	D245-T247 PolarHBondContact O-N 2.99Å; D245-T247 VanDerWaalsContact OD1-CB 3.23Å; D245-T247 WeakPolarHBondContact OD1-CB 3.4Å; D245-T247 PolarHBondContact OD1-N 3.41Å; D245-T247 PolarHBondContact OD1-OG1 3.2Å; T247-L249 VanDerWaalsContact C-N 3.29Å; T247-L249 PolarHBondContact O-N 3.23Å; T247-P317 CarbonylContact C-O 3.55Å; T247-P317 WeakPolarHBondContact CA-O 3.45Å; T247-V319 HydrophobicContact CG2-CG2 3.86Å; T247-L322 HydrophobicContact CG2-CD2 4.4Å; T247-F395 WeakPolarHBondContact OG1-CE1 3.17Å; T247-F395 VanDerWaalsContact OG1-CZ 3.32Å; T247-F395 WeakPolarHBondContact OG1-CZ 3.4Å
248	G	97.6	Very high	97.5	Very high	5 Å²	5	27 Å²	27	5%	0.052	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	13.2	176.8	0	0	0	0	0	114.9	W246 P317 H462	W246-G248 PolarHBondContact O-N 2.88Å; G248-P317 PolarHBondContact N-O 2.72Å; G248-H462 PolarHBondContact O-N 3.12Å
249	L	97.7	Very high	97.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.125	C	C	.	.			trans	-81.2	145.8	174.3	-61.5	-176.4	0	0	0	111.8	W244 W246 T247 D253 L316 F460 H462	W244-L249 HydrophobicContact CZ2-CD1 3.66Å; W246-L249 HydrophobicContact CB-CD1 4.32Å; W246-L249 WeakPolarHBondContact O-CB 3.31Å; W246-L249 WeakPolarHBondContact O-CG 3.37Å; W246-L249 PolarHBondContact O-N 3Å; T247-L249 VanDerWaalsContact C-N 3.29Å; T247-L249 PolarHBondContact O-N 3.23Å; L249-D253 VanDerWaalsContact CD1-OD1 3.29Å; L249-D253 WeakPolarHBondContact CD1-OD1 3.27Å; L249-L316 HydrophobicContact CB-CB 4.46Å; L249-L316 HydrophobicContact CB-CD1 3.66Å; L249-L316 HydrophobicContact CD1-CD1 4.41Å; L249-L316 WeakPolarHBondContact O-CB 3.23Å; L249-L316 PolarHBondContact O-N 2.76Å; L249-F460 HydrophobicContact CD2-CB 4.45Å; L249-F460 WeakPolarHBondContact CD2-O 3.38Å; L249-H462 WeakPolarHBondContact CD2-NE2 3.44Å
250	T	95.6	Very high	97.8	Very high	64 Å²	64	25.8 Å²	25.8	39%	0.393	12%	0.124	S	C	.	.	S	Bend	trans	-94.8	-10.6	175.8	51.8	0	0	0	0	113.5	H462	T250-H462 HydrophobicContact CG2-CB 4.16Å; T250-H462 PolarHBondContact N-ND1 3.1Å; T250-H462 PolarHBondContact OG1-ND1 3.19Å
251	Y	95.3	Very high	97.8	Very high	143 Å²	143	25.7 Å²	25.7	56%	0.561	12%	0.123	S	C	*	.	S	Bend	trans	-159	170.7	176.7	61.9	-87.4	0	0	0	110.2	D253 H462	Y251-D253 HydrophobicContact CE2-CB 4.02Å; Y251-D253 PolarHBondContact O-N 3Å; Y251-D253 VanDerWaalsContact O-N 3.08Å; Y251-H462 AromaticContact CD1-CE1 3.92Å; Y251-H462 AromaticContact CE1-CE1 3.36Å; Y251-H462 WeakPolarHBondContact CE1-CE1 3.47Å; Y251-H462 AromaticContact CE1-ND1 3.7Å; Y251-H462 AromaticContact CZ-CE1 3.68Å
252	C	97.2	Very high	97.9	Very high	16 Å²	16	26.6 Å²	26.6	11%	0.108	13%	0.131	C	C	.	.			trans	-76.2	91.7	174.2	-179.3	0	0	0	0	111.5	W244 I254 C255 F311	W244-C252 HydrophobicContact CH2-CB 4.03Å; W244-C252 HydrophobicContact CZ2-CB 4.23Å; C252-I254 VanDerWaalsContact C-N 3.26Å; C252-I254 PolarHBondContact O-N 2.82Å; C252-C255 HydrophobicContact CB-CB 3.65Å; C252-C255 WeakPolarHBondContact CB-SG 3.37Å; C252-C255 WeakPolarHBondContact O-CB 3.23Å; C252-C255 PolarHBondContact O-N 3.21Å; C252-C255 VanDerWaalsContact O-N 3.1Å; C252-C255 WeakPolarHBondContact SG-CB 3.38Å; C252-C255 PolarHBondContact SG-N 2.78Å; C252-C255 CovalentContact SG-SG 2.03Å; C252-C255 PolarHBondContact SG-SG 3.43Å; C252-F311 HydrophobicContact CB-CD1 4.42Å; C252-F311 HydrophobicContact CB-CE1 4.08Å
253	D	97	Very high	97.8	Very high	31 Å²	31	29.4 Å²	29.4	17%	0.166	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.2	-179.7	67.4	-24.6	0	0	0	113.9	R125 W244 L249 Y251	R125-D253 VanDerWaalsContact CD-OD2 3.24Å; R125-D253 WeakPolarHBondContact CD-OD2 3.47Å; R125-D253 IonicContact CZ-OD2 3.72Å; R125-D253 IonicContact NE-OD2 2.72Å; R125-D253 IonicContact NH1-OD1 3.66Å; R125-D253 IonicContact NH1-OD2 2.76Å; R125-D253 PolarHBondContact NH1-OD2 2.52Å; W244-D253 PolarHBondContact NE1-OD1 3.49Å; L249-D253 VanDerWaalsContact CD1-OD1 3.29Å; L249-D253 WeakPolarHBondContact CD1-OD1 3.27Å; Y251-D253 HydrophobicContact CE2-CB 4.02Å; Y251-D253 PolarHBondContact O-N 3Å; Y251-D253 VanDerWaalsContact O-N 3.08Å
254	I	98.3	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.9	174.3	66.4	162.9	0	0	0	113.3	I124 R125 W244 C252 T256 Y259 I260 L388 L391	I124-I254 HydrophobicContact CG2-CB 4.47Å; I124-I254 HydrophobicContact CG2-CD1 4.11Å; I124-I254 HydrophobicContact CG2-CG2 3.72Å; R125-I254 HydrophobicContact CG-CG2 3.78Å; W244-I254 HydrophobicContact CB-CD1 3.75Å; W244-I254 HydrophobicContact CD2-CD1 3.63Å; W244-I254 HydrophobicContact CD2-CG1 3.92Å; W244-I254 HydrophobicContact CE3-CD1 4.14Å; W244-I254 HydrophobicContact CG-CD1 3.43Å; W244-I254 VanDerWaalsContact CG-CD1 3.43Å; W244-I254 HydrophobicContact CG-CG1 4Å; W244-I254 HydrophobicContact CG-CG2 4.48Å; W244-I254 HydrophobicContact CZ2-CG1 4.41Å; C252-I254 VanDerWaalsContact C-N 3.26Å; C252-I254 PolarHBondContact O-N 2.82Å; I254-T256 PolarHBondContact O-N 2.96Å; I254-Y259 HydrophobicContact CB-CD2 4.14Å; I254-Y259 HydrophobicContact CB-CG 4.22Å; I254-Y259 HydrophobicContact CG2-CD2 4.3Å; I254-Y259 HydrophobicContact CG2-CG 4.44Å; I254-Y259 WeakPolarHBondContact O-CB 3.49Å; I254-I260 HydrophobicContact CB-CG1 4.48Å; I254-I260 HydrophobicContact CD1-CG1 3.84Å; I254-I260 HydrophobicContact CG1-CD1 4.42Å; I254-I260 HydrophobicContact CG1-CG1 3.97Å; I254-I260 WeakPolarHBondContact O-CG1 3.46Å; I254-I260 PolarHBondContact O-N 3.11Å; I254-L388 HydrophobicContact CD1-CD1 3.73Å; I254-L388 HydrophobicContact CG1-CD1 4.29Å; I254-L391 HydrophobicContact CD1-CD1 3.52Å
255	C	98	Very high	97.7	Very high	11 Å²	11	39 Å²	39	7%	0.074	19%	0.191	C	C	.	.			trans	-77.8	60.6	176.8	-68.8	0	0	0	0	111.3	C252 I260 G261 A262 F311	C252-C255 HydrophobicContact CB-CB 3.65Å; C252-C255 WeakPolarHBondContact CB-SG 3.37Å; C252-C255 WeakPolarHBondContact O-CB 3.23Å; C252-C255 PolarHBondContact O-N 3.21Å; C252-C255 VanDerWaalsContact O-N 3.1Å; C252-C255 WeakPolarHBondContact SG-CB 3.38Å; C252-C255 PolarHBondContact SG-N 2.78Å; C252-C255 CovalentContact SG-SG 2.03Å; C252-C255 PolarHBondContact SG-SG 3.43Å; C255-I260 HydrophobicContact CB-CD1 4.05Å; C255-I260 WeakPolarHBondContact SG-CD1 3.3Å; C255-G261 CarbonylContact C-O 3.43Å; C255-A262 WeakPolarHBondContact O-CA 3.28Å; C255-F311 HydrophobicContact CB-CE1 3.99Å; C255-F311 HydrophobicContact CB-CZ 3.77Å; C255-F311 WeakPolarHBondContact SG-CE1 3.07Å; C255-F311 WeakPolarHBondContact SG-CZ 3.24Å
256	T	98.4	Very high	97.6	Very high	54 Å²	54	43.7 Å²	43.7	33%	0.331	22%	0.216	S	C	.	.	S	Bend	trans	-133.3	161.1	180	71.1	0	0	0	0	110	I254 R258 Y259 I260 G261	I254-T256 PolarHBondContact O-N 2.96Å; T256-R258 PolarHBondContact O-N 3.27Å; T256-R258 VanDerWaalsContact O-N 3.14Å; T256-Y259 CarbonylContact O-C 3.58Å; T256-Y259 PolarHBondContact O-N 3.14Å; T256-Y259 VanDerWaalsContact O-N 3.08Å; T256-Y259 WeakPolarHBondContact OG1-CD2 3.27Å; T256-I260 PolarHBondContact O-N 2.86Å; T256-G261 CarbonylContact O-C 3.51Å; T256-G261 WeakPolarHBondContact O-CA 3.44Å; T256-G261 PolarHBondContact O-N 3.36Å
257	N	98.4	Very high	97.4	Very high	45 Å²	45	44.9 Å²	44.9	24%	0.241	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16	179.9	-69.1	-31.7	0	0	0	113.8	K136 A262 S274	K136-N257 PolarHBondContact NZ-O 3.06Å; N257-A262 WeakPolarHBondContact OD1-CB 3.12Å; N257-A262 PolarHBondContact OD1-N 2.52Å; N257-S274 PolarHBondContact ND2-OG 3.47Å; N257-S274 WeakPolarHBondContact OD1-CB 3.26Å
258	R	98.2	Very high	97	Very high	134 Å²	134	53.2 Å²	53.2	51%	0.506	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-51.1	169.3	179.6	174.2	178.8	176.7	-2.3	110.6	L132 K136 T256	L132-R258 HydrophobicContact CD1-CG 4.34Å; K136-R258 PolarHBondContact NZ-O 3.12Å; T256-R258 PolarHBondContact O-N 3.27Å; T256-R258 VanDerWaalsContact O-N 3.14Å
259	Y	98.7	Very high	96.6	Very high	24 Å²	24	56.8 Å²	56.8	9%	0.094	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-103.6	-175.5	-48.5	-81.3	0	0	0	111	I124 L132 K136 I254 T256 F279	I124-Y259 HydrophobicContact CD1-CD1 4.29Å; I124-Y259 HydrophobicContact CG1-CD1 3.96Å; L132-Y259 HydrophobicContact CD1-CD1 3.97Å; L132-Y259 HydrophobicContact CD1-CE1 3.8Å; L132-Y259 HydrophobicContact CD2-CD1 3.71Å; L132-Y259 HydrophobicContact CD2-CE1 4.12Å; K136-Y259 VanDerWaalsContact CE-O 3.31Å; K136-Y259 WeakPolarHBondContact CE-O 3.1Å; I254-Y259 HydrophobicContact CB-CD2 4.14Å; I254-Y259 HydrophobicContact CB-CG 4.22Å; I254-Y259 HydrophobicContact CG2-CD2 4.3Å; I254-Y259 HydrophobicContact CG2-CG 4.44Å; I254-Y259 WeakPolarHBondContact O-CB 3.49Å; T256-Y259 CarbonylContact O-C 3.58Å; T256-Y259 PolarHBondContact O-N 3.14Å; T256-Y259 VanDerWaalsContact O-N 3.08Å; T256-Y259 WeakPolarHBondContact OG1-CD2 3.27Å; Y259-F279 WeakPolarHBondContact O-CE2 3.35Å
260	I	98	Very high	96.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	19.6	-167.3	55.8	74.9	0	0	0	115.3	I124 I254 C255 T256 F279 R309 P387 L388 L391	I124-I260 HydrophobicContact CD1-CG2 4.27Å; I254-I260 HydrophobicContact CB-CG1 4.48Å; I254-I260 HydrophobicContact CD1-CG1 3.84Å; I254-I260 HydrophobicContact CG1-CD1 4.42Å; I254-I260 HydrophobicContact CG1-CG1 3.97Å; I254-I260 WeakPolarHBondContact O-CG1 3.46Å; I254-I260 PolarHBondContact O-N 3.11Å; C255-I260 HydrophobicContact CB-CD1 4.05Å; C255-I260 WeakPolarHBondContact SG-CD1 3.3Å; T256-I260 PolarHBondContact O-N 2.86Å; I260-F279 HydrophobicContact CB-CE2 4.46Å; I260-F279 HydrophobicContact CG2-CE2 4.35Å; I260-R309 PolarHBondContact O-NH1 3.04Å; I260-R309 PolarHBondContact O-NH2 3.04Å; I260-P387 HydrophobicContact CG2-CB 4.21Å; I260-L388 HydrophobicContact CD1-CB 4.47Å; I260-L388 HydrophobicContact CD1-CD1 4.22Å; I260-L388 HydrophobicContact CG1-CD1 4.24Å; I260-L391 HydrophobicContact CG2-CD1 3.62Å
261	G	98.2	Very high	96.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.286	C	S	.	.			trans	92.9	132.5	173.3	0	0	0	0	0	113.1	C255 T256 S277 R309	C255-G261 CarbonylContact C-O 3.43Å; T256-G261 CarbonylContact O-C 3.51Å; T256-G261 WeakPolarHBondContact O-CA 3.44Å; T256-G261 PolarHBondContact O-N 3.36Å; G261-S277 WeakPolarHBondContact CA-OG 3.07Å; G261-R309 PolarHBondContact O-NH1 3.46Å
262	A	98.1	Very high	96.6	Very high	20 Å²	20	52.2 Å²	52.2	17%	0.165	26%	0.264	C	S	.	.			trans	-75.5	161.6	176.8	0	0	0	0	0	111.8	C255 N257 G264 S274	C255-A262 WeakPolarHBondContact O-CA 3.28Å; N257-A262 WeakPolarHBondContact OD1-CB 3.12Å; N257-A262 PolarHBondContact OD1-N 2.52Å; A262-G264 PolarHBondContact O-N 3.31Å; A262-S274 VanDerWaalsContact O-CB 3.22Å; A262-S274 WeakPolarHBondContact O-CB 3.34Å; A262-S274 PolarHBondContact O-N 3.33Å
263	P	97.5	Very high	96.6	Very high	65 Å²	65	51.8 Å²	51.8	42%	0.422	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-44.2	126.5	160.5	-33.7	39.4	0	0	0	112.9	F311	P263-F311 HydrophobicContact CG-CD2 4.21Å; P263-F311 HydrophobicContact CG-CE2 3.83Å
264	G	97.6	Very high	96.7	Very high	19 Å²	19	51 Å²	51	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-147.4	177.5	0	0	0	0	0	112.9	A262 R271 H272	A262-G264 PolarHBondContact O-N 3.31Å; G264-R271 PolarHBondContact O-NH1 3.42Å; G264-H272 WeakPolarHBondContact CA-O 3.35Å; G264-H272 PolarHBondContact N-O 3.09Å
265	R	96.7	Very high	96.7	Very high	183 Å²	183	56 Å²	56	69%	0.691	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	137.7	-179.5	-173.4	178.9	85.5	103	-4.6	110.8	H272	R265-H272 PolarHBondContact O-CD2 3.41Å; R265-H272 PolarHBondContact O-N 3.38Å
266	L	96.7	Very high	96.7	Very high	102 Å²	102	65.6 Å²	65.6	53%	0.534	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.2	168.5	-173.4	66.1	0	0	0	110.2	R271	L266-R271 HydrophobicContact CD1-CB 3.79Å
267	S	94.3	Very high	96.7	Very high	24 Å²	24	63.1 Å²	63.1	17%	0.168	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	176.2	174.7	71.1	0	0	0	0	110	L269 G270 H272	S267-L269 PolarHBondContact O-N 2.87Å; S267-L269 VanDerWaalsContact O-N 3.14Å; S267-L269 PolarHBondContact OG-N 3.47Å; S267-G270 PolarHBondContact N-O 3.04Å; S267-G270 PolarHBondContact O-N 2.99Å; S267-G270 PolarHBondContact OG-O 3.15Å; S267-H272 PolarHBondContact OG-CD2 2.91Å; S267-H272 PolarHBondContact OG-NE2 2.79Å
268	D	90.5	Very high	96.7	Very high	177 Å²	177	64 Å²	64	95%	0.947	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.8	175.1	-54.7	-23.8	0	0	0	113.4	G270	D268-G270 VanDerWaalsContact C-N 3.3Å
269	L	88.6	Confident	96.7	Very high	80 Å²	80	57.6 Å²	57.6	42%	0.419	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.4	175.1	-61.2	174.5	0	0	0	113.1	S267 L305	S267-L269 PolarHBondContact O-N 2.87Å; S267-L269 VanDerWaalsContact O-N 3.14Å; S267-L269 PolarHBondContact OG-N 3.47Å; L269-L305 HydrophobicContact CD1-CD1 4.08Å; L269-L305 HydrophobicContact CD1-CD2 3.76Å; L269-L305 HydrophobicContact CD1-CG 4.41Å; L269-L305 HydrophobicContact CD2-CD1 4.34Å
270	G	93	Very high	96.6	Very high	8 Å²	8	57.5 Å²	57.5	8%	0.082	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.7	-172.5	-172.7	0	0	0	0	0	113.3	S267 D268 H272 E310	S267-G270 PolarHBondContact N-O 3.04Å; S267-G270 PolarHBondContact O-N 2.99Å; S267-G270 PolarHBondContact OG-O 3.15Å; D268-G270 VanDerWaalsContact C-N 3.3Å; G270-H272 PolarHBondContact O-CD2 3.04Å; G270-E310 WeakPolarHBondContact CA-OE1 3.42Å
271	R	97.2	Very high	96.6	Very high	80 Å²	80	64 Å²	64	30%	0.302	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.4	-177.5	162.9	-170	-57.8	-77.8	2.1	111.9	G264 L266 T308 R309 E310	G264-R271 PolarHBondContact O-NH1 3.42Å; L266-R271 HydrophobicContact CD1-CB 3.79Å; R271-T308 CarbonylContact O-C 3.35Å; R271-T308 WeakPolarHBondContact O-CA 3.34Å; R271-R309 WeakPolarHBondContact CB-O 3.08Å; R271-R309 PolarHBondContact O-N 3.21Å; R271-E310 PolarHBondContact N-OE1 3.48Å
272	H	97.8	Very high	96.5	Very high	23 Å²	23	64.2 Å²	64.2	11%	0.106	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	162.4	-178.8	-67.6	-88.7	0	0	0	112.3	G264 R265 S267 G270 T306	G264-H272 WeakPolarHBondContact CA-O 3.35Å; G264-H272 PolarHBondContact N-O 3.09Å; R265-H272 PolarHBondContact O-CD2 3.41Å; R265-H272 PolarHBondContact O-N 3.38Å; S267-H272 PolarHBondContact OG-CD2 2.91Å; S267-H272 PolarHBondContact OG-NE2 2.79Å; G270-H272 PolarHBondContact O-CD2 3.04Å; H272-T306 PolarHBondContact CE1-OG1 3.04Å; H272-T306 PolarHBondContact ND1-OG1 2.94Å
273	I	98.3	Very high	96.4	Very high	8 Å²	8	65 Å²	65	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.1	166.6	-62.2	177.1	0	0	0	109.8	S275 F279 I307	I273-S275 PolarHBondContact O-N 3.11Å; I273-F279 HydrophobicContact CD1-CB 4.07Å; I273-F279 HydrophobicContact CG2-CB 4.37Å; I273-I307 HydrophobicContact CD1-CB 4.07Å; I273-I307 HydrophobicContact CD1-CD1 4.45Å; I273-I307 HydrophobicContact CD1-CG2 3.83Å; I273-I307 HydrophobicContact CG1-CG2 4.34Å
274	S	98.3	Very high	96.3	Very high	14 Å²	14	62.3 Å²	62.3	10%	0.098	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-51.8	134.1	178	-180	0	0	0	0	112	N257 A262 R276 S277 S280	N257-S274 PolarHBondContact ND2-OG 3.47Å; N257-S274 WeakPolarHBondContact OD1-CB 3.26Å; A262-S274 VanDerWaalsContact O-CB 3.22Å; A262-S274 WeakPolarHBondContact O-CB 3.34Å; A262-S274 PolarHBondContact O-N 3.33Å; S274-R276 PolarHBondContact O-N 2.86Å; S274-S277 VanDerWaalsContact O-CB 3.25Å; S274-S277 WeakPolarHBondContact O-CB 3.3Å; S274-S277 PolarHBondContact O-N 2.99Å; S274-S280 WeakPolarHBondContact O-CB 3.34Å
275	S	98.1	Very high	96.2	Very high	106 Å²	106	63 Å²	63	74%	0.741	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.2	177.5	55.4	0	0	0	0	114.3	I273 S277	I273-S275 PolarHBondContact O-N 3.11Å; S275-S277 VanDerWaalsContact C-N 3.29Å
276	R	98.2	Very high	95.9	Very high	211 Å²	211	54.6 Å²	54.6	80%	0.796	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.2	173.7	-61.1	-179.8	-175.6	178.2	1.8	113.1	S274	S274-R276 PolarHBondContact O-N 2.86Å
277	S	98.3	Very high	95.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.014	27%	0.269	C	S	.	.	S	Bend	trans	-88.2	139.8	172.7	-175	0	0	0	0	109.9	G261 S274 S275 F279 S280	G261-S277 WeakPolarHBondContact CA-OG 3.07Å; S274-S277 VanDerWaalsContact O-CB 3.25Å; S274-S277 WeakPolarHBondContact O-CB 3.3Å; S274-S277 PolarHBondContact O-N 2.99Å; S275-S277 VanDerWaalsContact C-N 3.29Å; S277-F279 PolarHBondContact O-N 2.79Å; S277-F279 WeakPolarHBondContact OG-CD2 3.4Å; S277-F279 PolarHBondContact OG-N 3.45Å; S277-S280 WeakPolarHBondContact O-CB 3.15Å; S277-S280 PolarHBondContact O-N 3.32Å; S277-S280 VanDerWaalsContact O-N 3.16Å; S277-S280 PolarHBondContact O-OG 2.86Å
278	P	98	Very high	94.6	Very high	63 Å²	63	53.3 Å²	53.3	41%	0.409	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.7	170.8	30.7	-36.9	0	0	0	112.6	K136 V140	K136-P278 HydrophobicContact CB-CG 4.46Å; V140-P278 HydrophobicContact CG2-CB 3.95Å
279	F	98.4	Very high	93.5	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.2	177.8	-52	-45	0	0	0	114.4	K136 I139 V140 Y259 I260 I273 S277 N281 L282 P387	K136-F279 HydrophobicContact CB-CE1 4.22Å; K136-F279 HydrophobicContact CB-CZ 3.75Å; K136-F279 HydrophobicContact CG-CE2 3.99Å; K136-F279 HydrophobicContact CG-CZ 3.58Å; I139-F279 HydrophobicContact CB-CE1 3.88Å; I139-F279 HydrophobicContact CB-CZ 4.38Å; I139-F279 HydrophobicContact CG2-CD1 4.1Å; I139-F279 HydrophobicContact CG2-CE1 3.55Å; I139-F279 HydrophobicContact CG2-CZ 4.23Å; V140-F279 HydrophobicContact CG2-CD1 3.98Å; V140-F279 HydrophobicContact CG2-CE1 3.96Å; Y259-F279 WeakPolarHBondContact O-CE2 3.35Å; I260-F279 HydrophobicContact CB-CE2 4.46Å; I260-F279 HydrophobicContact CG2-CE2 4.35Å; I273-F279 HydrophobicContact CD1-CB 4.07Å; I273-F279 HydrophobicContact CG2-CB 4.37Å; S277-F279 PolarHBondContact O-N 2.79Å; S277-F279 WeakPolarHBondContact OG-CD2 3.4Å; S277-F279 PolarHBondContact OG-N 3.45Å; F279-N281 VanDerWaalsContact C-N 3.25Å; F279-N281 PolarHBondContact O-N 3.25Å; F279-L282 HydrophobicContact CB-CD1 3.78Å; F279-L282 HydrophobicContact CB-CG 4.07Å; F279-L282 HydrophobicContact CD1-CD1 3.76Å; F279-L282 HydrophobicContact CD1-CD2 4.37Å; F279-L282 HydrophobicContact CD1-CG 4.31Å; F279-L282 HydrophobicContact CG-CD1 4.09Å; F279-L282 WeakPolarHBondContact O-CG 3.07Å; F279-L282 PolarHBondContact O-N 2.88Å; F279-P387 HydrophobicContact CB-CG 4.5Å; F279-P387 HydrophobicContact CD1-CG 4.13Å; F279-P387 HydrophobicContact CD2-CG 4.22Å; F279-P387 HydrophobicContact CE1-CG 4.33Å; F279-P387 HydrophobicContact CE2-CB 4.47Å; F279-P387 HydrophobicContact CE2-CG 4.42Å; F279-P387 HydrophobicContact CG-CG 4.04Å; F279-P387 HydrophobicContact CZ-CG 4.42Å
280	S	97.7	Very high	92.3	Very high	21 Å²	21	50.3 Å²	50.3	15%	0.147	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.6	-176.7	46.9	0	0	0	0	114.5	S274 S277	S274-S280 WeakPolarHBondContact O-CB 3.34Å; S277-S280 WeakPolarHBondContact O-CB 3.15Å; S277-S280 PolarHBondContact O-N 3.32Å; S277-S280 VanDerWaalsContact O-N 3.16Å; S277-S280 PolarHBondContact O-OG 2.86Å
281	N	96.3	Very high	90.5	Very high	136 Å²	136	58.8 Å²	58.8	73%	0.727	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	14.8	-177.4	-67	-20.4	0	0	0	113.3	F279 T283	F279-N281 VanDerWaalsContact C-N 3.25Å; F279-N281 PolarHBondContact O-N 3.25Å; N281-T283 PolarHBondContact O-N 3.38Å
282	L	97.7	Very high	88.2	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.026	31%	0.31	C	S	.	.			trans	-62.9	139.1	174.5	-58.3	-176.9	0	0	0	109.4	I139 Q143 F279 T306 I307 P387	I139-L282 HydrophobicContact CG2-CD1 4.28Å; Q143-L282 HydrophobicContact CG-CD2 3.46Å; Q143-L282 VanDerWaalsContact CG-CD2 3.46Å; F279-L282 HydrophobicContact CB-CD1 3.78Å; F279-L282 HydrophobicContact CB-CG 4.07Å; F279-L282 HydrophobicContact CD1-CD1 3.76Å; F279-L282 HydrophobicContact CD1-CD2 4.37Å; F279-L282 HydrophobicContact CD1-CG 4.31Å; F279-L282 HydrophobicContact CG-CD1 4.09Å; F279-L282 WeakPolarHBondContact O-CG 3.07Å; F279-L282 PolarHBondContact O-N 2.88Å; L282-T306 WeakPolarHBondContact O-CA 3.5Å; L282-I307 HydrophobicContact CB-CD1 3.52Å; L282-I307 HydrophobicContact CB-CG1 4.3Å; L282-I307 HydrophobicContact CD1-CD1 3.76Å; L282-I307 HydrophobicContact CG-CD1 4.21Å; L282-P387 HydrophobicContact CD1-CG 3.64Å
283	T	96.2	Very high	86.5	Confident	38 Å²	38	63 Å²	63	23%	0.233	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134.7	-178.3	-60.6	0	0	0	0	109.7	N281 F285 L305 N385	N281-T283 PolarHBondContact O-N 3.38Å; T283-F285 HydrophobicContact CG2-CD1 3.84Å; T283-F285 HydrophobicContact CG2-CD2 4.48Å; T283-F285 HydrophobicContact CG2-CE1 3.65Å; T283-F285 HydrophobicContact CG2-CE2 4.32Å; T283-F285 HydrophobicContact CG2-CG 4.25Å; T283-F285 HydrophobicContact CG2-CZ 3.91Å; T283-F285 PolarHBondContact O-N 3.49Å; T283-L305 WeakPolarHBondContact CA-O 3.36Å; T283-N385 PolarHBondContact O-OD1 2.92Å
284	E	94.7	Very high	85.2	Confident	8 Å²	8	68.5 Å²	68.5	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	92.7	167	-178.8	151.2	-127.7	0	0	109.3	Y287 L305 S376 T382	E284-Y287 HydrophobicContact CG-CD2 4.43Å; E284-L305 HydrophobicContact CB-CB 4.26Å; E284-L305 PolarHBondContact N-O 2.88Å; E284-S376 VanDerWaalsContact CD-OG 3.27Å; E284-S376 VanDerWaalsContact OE1-CA 3.28Å; E284-S376 WeakPolarHBondContact OE1-CA 3.48Å; E284-S376 WeakPolarHBondContact OE1-CB 3.4Å; E284-S376 PolarHBondContact OE1-OG 3.12Å; E284-T382 HydrophobicContact CG-CG2 4.41Å
285	F	94.6	Very high	84.5	Confident	32 Å²	32	68.2 Å²	68.2	14%	0.14	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	157.4	173.7	-58.9	-72.9	0	0	0	110.9	Q174 Y175 T178 T283 Y287 N385	Q174-F285 HydrophobicContact CB-CE2 4.12Å; Q174-F285 HydrophobicContact CG-CD2 4.11Å; Q174-F285 HydrophobicContact CG-CE2 3.94Å; Y175-F285 HydrophobicContact CD1-CD1 4.42Å; Y175-F285 HydrophobicContact CD1-CE1 4.37Å; Y175-F285 HydrophobicContact CD2-CB 3.74Å; Y175-F285 AromaticContact CD2-CD1 3.43Å; Y175-F285 HydrophobicContact CD2-CD1 3.43Å; Y175-F285 VanDerWaalsContact CD2-CD1 3.43Å; Y175-F285 HydrophobicContact CD2-CD2 4.32Å; Y175-F285 HydrophobicContact CD2-CE1 4.09Å; Y175-F285 AromaticContact CD2-CG 3.57Å; Y175-F285 HydrophobicContact CD2-CG 3.57Å; Y175-F285 HydrophobicContact CE2-CB 4.12Å; Y175-F285 AromaticContact CE2-CD1 3.89Å; Y175-F285 HydrophobicContact CE2-CD1 3.89Å; Y175-F285 HydrophobicContact CE2-CG 4.24Å; Y175-F285 AromaticContact CG-CD1 3.74Å; Y175-F285 HydrophobicContact CG-CD1 3.74Å; Y175-F285 AromaticContact CG-CE1 3.9Å; Y175-F285 HydrophobicContact CG-CE1 3.9Å; Y175-F285 HydrophobicContact CG-CG 4.12Å; Y175-F285 HydrophobicContact CG-CZ 4.41Å; T178-F285 HydrophobicContact CG2-CB 3.97Å; T283-F285 HydrophobicContact CG2-CD1 3.84Å; T283-F285 HydrophobicContact CG2-CD2 4.48Å; T283-F285 HydrophobicContact CG2-CE1 3.65Å; T283-F285 HydrophobicContact CG2-CE2 4.32Å; T283-F285 HydrophobicContact CG2-CG 4.25Å; T283-F285 HydrophobicContact CG2-CZ 3.91Å; T283-F285 PolarHBondContact O-N 3.49Å; F285-Y287 PolarHBondContact O-N 3.12Å; F285-N385 WeakPolarHBondContact CB-OD1 3.44Å; F285-N385 WeakPolarHBondContact CD2-OD1 3.4Å; F285-N385 PolarHBondContact N-ND2 3.11Å; F285-N385 PolarHBondContact N-OD1 3.47Å; F285-N385 PolarHBondContact O-ND2 3.42Å
286	C	91.8	Very high	84	Confident	7 Å²	7	63.3 Å²	63.3	5%	0.047	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	30.1	176.6	-48.8	0	0	0	0	115.5	T178 R182 E288 C298	T178-C286 HydrophobicContact CG2-CB 4.16Å; R182-C286 HydrophobicContact CB-CB 4.31Å; R182-C286 HydrophobicContact CG-CB 4.33Å; C286-E288 PolarHBondContact O-N 2.96Å; C286-C298 WeakPolarHBondContact CA-O 3.25Å; C286-C298 WeakPolarHBondContact CA-SG 3.43Å; C286-C298 HydrophobicContact CB-CB 3.76Å; C286-C298 WeakPolarHBondContact CB-SG 3.14Å; C286-C298 WeakPolarHBondContact SG-CB 3.11Å; C286-C298 CovalentContact SG-SG 2.02Å; C286-C298 PolarHBondContact SG-SG 3.2Å
287	Y	88.2	Confident	83.6	Confident	41 Å²	41	53.4 Å²	53.4	16%	0.161	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-52.6	125.3	-179.8	179.9	-95.5	0	0	0	112.3	E284 F285 S301 L305	E284-Y287 HydrophobicContact CG-CD2 4.43Å; F285-Y287 PolarHBondContact O-N 3.12Å; Y287-S301 WeakPolarHBondContact CD1-OG 3.47Å; Y287-S301 VanDerWaalsContact O-CB 3.23Å; Y287-S301 WeakPolarHBondContact O-CB 3.07Å; Y287-L305 HydrophobicContact CD1-CD1 4.07Å; Y287-L305 HydrophobicContact CD2-CD1 3.54Å; Y287-L305 HydrophobicContact CE1-CD1 4.06Å; Y287-L305 HydrophobicContact CE2-CD1 3.54Å; Y287-L305 HydrophobicContact CG-CD1 3.79Å
288	E	74.3	Confident	83.2	Confident	59 Å²	59	53.5 Å²	53.5	28%	0.276	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-83	122.2	-178.5	-59.8	-171.3	-155.8	0	0	110.8	R182 C286 G381 T382	R182-E288 IonicContact CZ-OE1 3.15Å; R182-E288 IonicContact NH1-OE1 2.76Å; R182-E288 PolarHBondContact NH1-OE1 3.32Å; R182-E288 IonicContact NH1-OE2 3.84Å; R182-E288 PolarHBondContact NH1-OE2 2.79Å; R182-E288 VanDerWaalsContact NH1-OE2 3.1Å; C286-E288 PolarHBondContact O-N 2.96Å; E288-G381 WeakPolarHBondContact OE1-CA 3.38Å; E288-G381 PolarHBondContact OE1-N 2.75Å; E288-T382 HydrophobicContact CG-CG2 4.4Å
289	P	67.8	Low	82.9	Confident	35 Å²	35	51.4 Å²	51.4	23%	0.227	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-74.3	132.1	177.7	28.9	-32.1	0	0	0	111.6	K291 M293	P289-K291 PolarHBondContact O-N 3.34Å; P289-M293 HydrophobicContact CB-SD 4.37Å; P289-M293 HydrophobicContact CG-CB 3.79Å; P289-M293 HydrophobicContact CG-CG 3.9Å; P289-M293 HydrophobicContact CG-SD 3.6Å; P289-M293 VanDerWaalsContact CG-SD 3.6Å
290	I	63.9	Low	82.4	Confident	158 Å²	158	54.6 Å²	54.6	81%	0.81	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.6	-167	-62.6	166.7	0	0	0	115.2
291	K	55.7	Low	81.6	Confident	187 Å²	187	54.8 Å²	54.8	81%	0.813	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-34.8	-163.1	-158.8	175.5	179.3	-177.2	0	116.5	P289	P289-K291 PolarHBondContact O-N 3.34Å
292	D	49.1	Very low	80.9	Confident	123 Å²	123	57.7 Å²	57.7	66%	0.658	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	6.5	-160.6	-69.2	-31.5	0	0	0	116.3
293	M	61.3	Low	80.1	Confident	69 Å²	69	63.6 Å²	63.6	34%	0.34	30%	0.304	S	S	.	.			trans	-149.6	59	-168.5	-43.1	171.7	-173.9	0	0	115.2	P289 C295 S296 K300	P289-M293 HydrophobicContact CB-SD 4.37Å; P289-M293 HydrophobicContact CG-CB 3.79Å; P289-M293 HydrophobicContact CG-CG 3.9Å; P289-M293 HydrophobicContact CG-SD 3.6Å; P289-M293 VanDerWaalsContact CG-SD 3.6Å; M293-C295 PolarHBondContact O-N 3.28Å; M293-S296 WeakPolarHBondContact CB-OG 3.4Å; M293-S296 PolarHBondContact O-N 3.37Å; M293-S296 VanDerWaalsContact O-N 3.13Å; M293-S296 PolarHBondContact O-OG 3.41Å; M293-K300 HydrophobicContact CE-CG 4.31Å; M293-K300 HydrophobicContact SD-CB 4.42Å; M293-K300 HydrophobicContact SD-CD 3.73Å; M293-K300 WeakPolarHBondContact SD-CE 3.31Å; M293-K300 HydrophobicContact SD-CG 3.1Å; M293-K300 WeakPolarHBondContact SD-CG 3.46Å
294	L	71.4	Confident	79.5	Confident	122 Å²	122	72.5 Å²	72.5	64%	0.639	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-32.6	168.5	-76.9	163.6	0	0	0	112.3	S187 C196 E197	S187-L294 PolarHBondContact OG-O 2.94Å; C196-L294 VanDerWaalsContact SG-CB 3.57Å; E197-L294 HydrophobicContact CG-CD1 4.22Å
295	C	84	Confident	79.4	Confident	8 Å²	8	73.6 Å²	73.6	5%	0.054	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	53.7	178.6	-53.9	0	0	0	0	112.5	N157 T188 L189 C196 M293	N157-C295 PolarHBondContact ND2-O 2.92Å; N157-C295 PolarHBondContact OD1-O 3.4Å; T188-C295 WeakPolarHBondContact O-CB 3.2Å; T188-C295 PolarHBondContact O-SG 3.24Å; L189-C295 VanDerWaalsContact CD2-O 3.28Å; L189-C295 WeakPolarHBondContact CD2-O 3.19Å; C196-C295 WeakPolarHBondContact CA-SG 3.46Å; C196-C295 HydrophobicContact CB-CB 3.74Å; C196-C295 WeakPolarHBondContact CB-SG 3.48Å; C196-C295 WeakPolarHBondContact SG-CB 3.42Å; C196-C295 PolarHBondContact SG-N 3.24Å; C196-C295 CovalentContact SG-SG 2.01Å; C196-C295 PolarHBondContact SG-SG 3.28Å; M293-C295 PolarHBondContact O-N 3.28Å
296	S	86.8	Confident	79.4	Confident	3 Å²	3	74 Å²	74	2%	0.021	34%	0.344	C	S	.	.			trans	-104.5	145.7	166.3	53.8	0	0	0	0	113.6	R182 L189 M293	R182-S296 PolarHBondContact NH2-O 3.15Å; L189-S296 VanDerWaalsContact CD2-C 3.42Å; M293-S296 WeakPolarHBondContact CB-OG 3.4Å; M293-S296 PolarHBondContact O-N 3.37Å; M293-S296 VanDerWaalsContact O-N 3.13Å; M293-S296 PolarHBondContact O-OG 3.41Å
297	G	89.3	Confident	79.7	Confident	3 Å²	3	73.8 Å²	73.8	3%	0.031	34%	0.343	C	S	.	.			trans	-79.6	179.4	167.5	0	0	0	0	0	113.5	E154 Q299 K300	E154-G297 WeakPolarHBondContact OE2-CA 3.27Å; G297-Q299 PolarHBondContact O-N 3.47Å; G297-K300 WeakPolarHBondContact O-CB 3.37Å; G297-K300 PolarHBondContact O-N 3.13Å
298	C	91	Very high	80.1	Confident	5 Å²	5	72.2 Å²	72.2	3%	0.034	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-55.9	-45.3	-170.2	173.8	0	0	0	0	113.8	E154 Y179 R182 C286 K300	E154-C298 PolarHBondContact OE2-N 2.9Å; E154-C298 VanDerWaalsContact OE2-N 3.12Å; Y179-C298 HydrophobicContact CD2-CB 3.71Å; Y179-C298 HydrophobicContact CE2-CB 4.07Å; R182-C298 HydrophobicContact CG-CB 4.39Å; C286-C298 WeakPolarHBondContact CA-O 3.25Å; C286-C298 WeakPolarHBondContact CA-SG 3.43Å; C286-C298 HydrophobicContact CB-CB 3.76Å; C286-C298 WeakPolarHBondContact CB-SG 3.14Å; C286-C298 WeakPolarHBondContact SG-CB 3.11Å; C286-C298 CovalentContact SG-SG 2.02Å; C286-C298 PolarHBondContact SG-SG 3.2Å; C298-K300 VanDerWaalsContact C-N 3.3Å; C298-K300 PolarHBondContact O-N 3.27Å
299	Q	91.3	Very high	81.1	Confident	18 Å²	18	69.6 Å²	69.6	8%	0.084	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-84.3	1.2	-169.9	-61	93.1	-27.8	0	0	114.5	V152 E169 Y175 G297 S301 R302	V152-Q299 PolarHBondContact O-NE2 3.17Å; E169-Q299 WeakPolarHBondContact OE1-CG 3.1Å; E169-Q299 PolarHBondContact OE1-NE2 2.94Å; Y175-Q299 WeakPolarHBondContact OH-CG 3.21Å; Y175-Q299 PolarHBondContact OH-NE2 2.88Å; G297-Q299 PolarHBondContact O-N 3.47Å; Q299-S301 PolarHBondContact O-N 3.13Å; Q299-R302 WeakPolarHBondContact O-CG 3.48Å; Q299-R302 PolarHBondContact O-N 3.14Å
300	K	86.4	Confident	82.4	Confident	69 Å²	69	71.4 Å²	71.4	30%	0.3	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-62.5	-42.6	-169.7	-177.5	67.6	171.7	-172.2	0	113.9	S155 M293 G297 C298 R302	S155-K300 WeakPolarHBondContact O-CD 3.36Å; M293-K300 HydrophobicContact CE-CG 4.31Å; M293-K300 HydrophobicContact SD-CB 4.42Å; M293-K300 HydrophobicContact SD-CD 3.73Å; M293-K300 WeakPolarHBondContact SD-CE 3.31Å; M293-K300 HydrophobicContact SD-CG 3.1Å; M293-K300 WeakPolarHBondContact SD-CG 3.46Å; G297-K300 WeakPolarHBondContact O-CB 3.37Å; G297-K300 PolarHBondContact O-N 3.13Å; C298-K300 VanDerWaalsContact C-N 3.3Å; C298-K300 PolarHBondContact O-N 3.27Å; K300-R302 VanDerWaalsContact C-N 3.29Å; K300-R302 PolarHBondContact O-N 3.18Å
301	S	82.6	Confident	83.8	Confident	25 Å²	25	66.7 Å²	66.7	18%	0.175	30%	0.304	C	S	.	.	S	Bend	trans	-64.8	-33	-179.6	169.9	0	0	0	0	112.4	Y287 Q299 K303	Y287-S301 WeakPolarHBondContact CD1-OG 3.47Å; Y287-S301 VanDerWaalsContact O-CB 3.23Å; Y287-S301 WeakPolarHBondContact O-CB 3.07Å; Q299-S301 PolarHBondContact O-N 3.13Å; S301-K303 PolarHBondContact O-N 2.96Å; S301-K303 WeakPolarHBondContact OG-CB 3.47Å; S301-K303 WeakPolarHBondContact OG-CG 3.34Å; S301-K303 PolarHBondContact OG-N 3.05Å
302	R	79.9	Confident	85.6	Confident	197 Å²	197	62.9 Å²	62.9	74%	0.743	29%	0.288	S	S	*	.			trans	54	-1.8	-170.9	-58.4	-178.1	176.2	176.3	-1.5	115.4	Q299 K300	Q299-R302 WeakPolarHBondContact O-CG 3.48Å; Q299-R302 PolarHBondContact O-N 3.14Å; K300-R302 VanDerWaalsContact C-N 3.29Å; K300-R302 PolarHBondContact O-N 3.18Å
303	K	82.6	Confident	87.6	Confident	128 Å²	128	67.2 Å²	67.2	56%	0.557	30%	0.301	S	S	*	.			trans	-73.5	136	175.9	-62.6	-178.7	-179.6	-178.4	0	109.6	S301 L305	S301-K303 PolarHBondContact O-N 2.96Å; S301-K303 WeakPolarHBondContact OG-CB 3.47Å; S301-K303 WeakPolarHBondContact OG-CG 3.34Å; S301-K303 PolarHBondContact OG-N 3.05Å; K303-L305 HydrophobicContact CB-CD1 4.39Å; K303-L305 HydrophobicContact CB-CD2 4.25Å; K303-L305 HydrophobicContact CB-CG 4Å; K303-L305 HydrophobicContact CD-CD1 4.48Å
304	R	82	Confident	89	Confident	225 Å²	225	65.4 Å²	65.4	85%	0.849	30%	0.3	S	S	*	.			trans	-101.3	101.9	166.6	-68.6	-175.1	177.6	-177.8	-1.1	107.7
305	L	92.7	Very high	90	Very high	31 Å²	31	64.3 Å²	64.3	16%	0.162	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	177.6	179.2	-58.2	-179.4	0	0	0	110	L269 T283 E284 Y287 K303	L269-L305 HydrophobicContact CD1-CD1 4.08Å; L269-L305 HydrophobicContact CD1-CD2 3.76Å; L269-L305 HydrophobicContact CD1-CG 4.41Å; L269-L305 HydrophobicContact CD2-CD1 4.34Å; T283-L305 WeakPolarHBondContact CA-O 3.36Å; E284-L305 HydrophobicContact CB-CB 4.26Å; E284-L305 PolarHBondContact N-O 2.88Å; Y287-L305 HydrophobicContact CD1-CD1 4.07Å; Y287-L305 HydrophobicContact CD2-CD1 3.54Å; Y287-L305 HydrophobicContact CE1-CD1 4.06Å; Y287-L305 HydrophobicContact CE2-CD1 3.54Å; Y287-L305 HydrophobicContact CG-CD1 3.79Å; K303-L305 HydrophobicContact CB-CD1 4.39Å; K303-L305 HydrophobicContact CB-CD2 4.25Å; K303-L305 HydrophobicContact CB-CG 4Å; K303-L305 HydrophobicContact CD-CD1 4.48Å
306	T	95.7	Very high	90.6	Very high	41 Å²	41	64.4 Å²	64.4	25%	0.252	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.6	175.7	48.8	0	0	0	0	110.3	H272 L282	H272-T306 PolarHBondContact CE1-OG1 3.04Å; H272-T306 PolarHBondContact ND1-OG1 2.94Å; L282-T306 WeakPolarHBondContact O-CA 3.5Å
307	I	96.8	Very high	91	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.015	29%	0.293	C	S	.	.			trans	-58.9	137	-175	-61	167.5	0	0	0	112	I273 L282 S376 N385 D386	I273-I307 HydrophobicContact CD1-CB 4.07Å; I273-I307 HydrophobicContact CD1-CD1 4.45Å; I273-I307 HydrophobicContact CD1-CG2 3.83Å; I273-I307 HydrophobicContact CG1-CG2 4.34Å; L282-I307 HydrophobicContact CB-CD1 3.52Å; L282-I307 HydrophobicContact CB-CG1 4.3Å; L282-I307 HydrophobicContact CD1-CD1 3.76Å; L282-I307 HydrophobicContact CG-CD1 4.21Å; I307-S376 WeakPolarHBondContact CA-OG 3.49Å; I307-S376 WeakPolarHBondContact CG2-OG 3.21Å; I307-N385 HydrophobicContact CD1-CB 4.4Å; I307-N385 WeakPolarHBondContact CD1-O 3.39Å; I307-N385 HydrophobicContact CG1-CB 4.25Å; I307-D386 HydrophobicContact CG2-CB 4.19Å
308	T	96.5	Very high	91.3	Very high	8 Å²	8	65.4 Å²	65.4	5%	0.049	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-126.2	155.4	177.6	60	0	0	0	0	112.3	R271 S376	R271-T308 CarbonylContact O-C 3.35Å; R271-T308 WeakPolarHBondContact O-CA 3.34Å; T308-S376 PolarHBondContact N-OG 2.92Å; T308-S376 PolarHBondContact O-N 2.88Å; T308-S376 PolarHBondContact O-OG 3.33Å
309	R	96.7	Very high	91.6	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.015	30%	0.298	C	S	.	.			trans	-149.4	138.1	178.6	-57.6	176.9	-176.8	147.9	-0.1	109.8	I260 G261 R271 F311 V373 D386	I260-R309 PolarHBondContact O-NH1 3.04Å; I260-R309 PolarHBondContact O-NH2 3.04Å; G261-R309 PolarHBondContact O-NH1 3.46Å; R271-R309 WeakPolarHBondContact CB-O 3.08Å; R271-R309 PolarHBondContact O-N 3.21Å; R309-F311 HydrophobicContact CB-CD2 4.29Å; R309-F311 HydrophobicContact CB-CE1 4.34Å; R309-F311 HydrophobicContact CB-CE2 3.8Å; R309-F311 HydrophobicContact CB-CZ 3.85Å; R309-F311 HydrophobicContact CG-CZ 4.25Å; R309-V373 HydrophobicContact CB-CG1 4.02Å; R309-V373 HydrophobicContact CG-CG1 3.8Å; R309-D386 IonicContact CZ-OD1 2.79Å; R309-D386 IonicContact CZ-OD2 3.41Å; R309-D386 IonicContact NE-OD1 2.62Å; R309-D386 IonicContact NE-OD2 3.89Å; R309-D386 PolarHBondContact NE-OD2 3.34Å; R309-D386 IonicContact NH2-OD1 3.14Å; R309-D386 PolarHBondContact NH2-OD1 3.34Å; R309-D386 IonicContact NH2-OD2 3.64Å; R309-D386 PolarHBondContact NH2-OD2 2.92Å
310	E	95.2	Very high	91.8	Very high	73 Å²	73	68.2 Å²	68.2	34%	0.341	31%	0.311	S	S	.	.			trans	-101.6	-26.2	178.7	-64.2	-57.1	129.7	0	0	114.3	G270 R271 V373 D374	G270-E310 WeakPolarHBondContact CA-OE1 3.42Å; R271-E310 PolarHBondContact N-OE1 3.48Å; E310-V373 PolarHBondContact N-O 3.25Å; E310-D374 HydrophobicContact CB-CB 4.02Å; E310-D374 HydrophobicContact CG-CB 4.33Å
311	F	92.5	Very high	92.3	Very high	59 Å²	59	65.6 Å²	65.6	26%	0.259	30%	0.301	S	S	.	.			trans	53.1	58.3	-176.2	-56.5	-64.9	0	0	0	112.9	C252 C255 P263 R309 L372 V373	C252-F311 HydrophobicContact CB-CD1 4.42Å; C252-F311 HydrophobicContact CB-CE1 4.08Å; C255-F311 HydrophobicContact CB-CE1 3.99Å; C255-F311 HydrophobicContact CB-CZ 3.77Å; C255-F311 WeakPolarHBondContact SG-CE1 3.07Å; C255-F311 WeakPolarHBondContact SG-CZ 3.24Å; P263-F311 HydrophobicContact CG-CD2 4.21Å; P263-F311 HydrophobicContact CG-CE2 3.83Å; R309-F311 HydrophobicContact CB-CD2 4.29Å; R309-F311 HydrophobicContact CB-CE1 4.34Å; R309-F311 HydrophobicContact CB-CE2 3.8Å; R309-F311 HydrophobicContact CB-CZ 3.85Å; R309-F311 HydrophobicContact CG-CZ 4.25Å; F311-L372 CarbonylContact C-O 3.57Å; F311-L372 WeakPolarHBondContact CA-O 3.03Å; F311-L372 PolarHBondContact N-O 3.15Å; F311-V373 HydrophobicContact CE1-CG1 4.36Å; F311-V373 PolarHBondContact N-O 3.16Å
312	K	93.5	Very high	93	Very high	107 Å²	107	64.4 Å²	64.4	47%	0.465	29%	0.293	S	S	.	.			trans	-52.9	146.2	174	-66	-172.5	176.7	149.2	0	110.9	G314 V371 L372 D374	K312-G314 PolarHBondContact O-N 3.08Å; K312-V371 WeakPolarHBondContact CD-O 3.44Å; K312-L372 HydrophobicContact CB-CD2 4.43Å; K312-L372 PolarHBondContact N-O 2.9Å; K312-L372 WeakPolarHBondContact O-CD2 3.45Å; K312-D374 WeakPolarHBondContact CE-OD2 3.34Å; K312-D374 IonicContact NZ-OD2 3.41Å; K312-D374 PolarHBondContact NZ-OD2 2.64Å
313	K	91.2	Very high	93.9	Very high	214 Å²	214	59 Å²	59	93%	0.93	28%	0.275	S	S	*	.	S	Bend	trans	-65.6	126.4	178.1	-173.1	179.9	-179.7	-178.6	0	110.4
314	G	90.8	Very high	94.6	Very high	31 Å²	31	54.9 Å²	54.9	32%	0.32	26%	0.256	S	S	.	.			trans	163.7	157.9	171.3	0	0	0	0	0	111.7	K312	K312-G314 PolarHBondContact O-N 3.08Å
315	N	92.8	Very high	95.3	Very high	99 Å²	99	44.4 Å²	44.4	53%	0.529	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-81.9	142.1	177.5	-62.9	-19.8	0	0	0	110.2	K368	N315-K368 WeakPolarHBondContact O-CE 3.41Å; N315-K368 PolarHBondContact O-NZ 2.82Å
316	L	95.6	Very high	95.6	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.052	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-67.8	159.9	168.1	-70.2	152.2	0	0	0	109.6	W244 W246 L249 L369 L372	W244-L316 HydrophobicContact CH2-CD1 3.79Å; W244-L316 HydrophobicContact CZ2-CD1 3.95Å; W246-L316 HydrophobicContact CB-CD1 4.12Å; W246-L316 HydrophobicContact CB-CD2 4.47Å; W246-L316 HydrophobicContact CE3-CB 4.32Å; L249-L316 HydrophobicContact CB-CB 4.46Å; L249-L316 HydrophobicContact CB-CD1 3.66Å; L249-L316 HydrophobicContact CD1-CD1 4.41Å; L249-L316 WeakPolarHBondContact O-CB 3.23Å; L249-L316 PolarHBondContact O-N 2.76Å; L316-L369 HydrophobicContact CD2-CB 4.05Å; L316-L369 HydrophobicContact CD2-CD1 3.88Å; L316-L369 HydrophobicContact CD2-CG 3.98Å; L316-L372 HydrophobicContact CD2-CD1 4.03Å; L316-L372 HydrophobicContact CG-CD1 4.24Å
317	P	96.4	Very high	95.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-60.2	145.4	-179.8	-9.6	18.6	0	0	0	111.5	W246 T247 G248 D321 F365 K368	W246-P317 HydrophobicContact CE3-CB 4.37Å; W246-P317 HydrophobicContact CE3-CG 4.03Å; W246-P317 HydrophobicContact CH2-CB 3.93Å; W246-P317 HydrophobicContact CH2-CG 3.61Å; W246-P317 HydrophobicContact CZ3-CB 3.44Å; W246-P317 VanDerWaalsContact CZ3-CB 3.44Å; W246-P317 HydrophobicContact CZ3-CG 3.31Å; W246-P317 WeakPolarHBondContact CZ3-O 3.26Å; T247-P317 CarbonylContact C-O 3.55Å; T247-P317 WeakPolarHBondContact CA-O 3.45Å; G248-P317 PolarHBondContact N-O 2.72Å; P317-D321 WeakPolarHBondContact CA-OD2 3.32Å; P317-D321 HydrophobicContact CB-CB 4.08Å; P317-F365 HydrophobicContact CB-CD2 3.79Å; P317-F365 HydrophobicContact CB-CE2 4.22Å; P317-F365 HydrophobicContact CG-CD2 4.21Å; P317-F365 WeakPolarHBondContact CG-O 3.26Å; P317-K368 HydrophobicContact CG-CB 4.31Å; P317-K368 HydrophobicContact CG-CD 3.99Å
318	D	96.1	Very high	95.7	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.144	22%	0.224	C	C	.	.			trans	-106.3	-175.8	-170.3	68.1	29.3	0	0	0	113.4	E320 D321 L322 R465	D318-E320 VanDerWaalsContact C-N 3.26Å; D318-E320 PolarHBondContact O-N 3.13Å; D318-E320 WeakPolarHBondContact OD1-CA 3.45Å; D318-E320 WeakPolarHBondContact OD1-CB 3.01Å; D318-E320 PolarHBondContact OD1-N 2.87Å; D318-D321 PolarHBondContact N-OD2 2.69Å; D318-D321 VanDerWaalsContact N-OD2 3.13Å; D318-D321 PolarHBondContact O-N 3.18Å; D318-D321 PolarHBondContact OD1-N 3.15Å; D318-L322 PolarHBondContact O-N 3.14Å; D318-R465 IonicContact OD1-NH1 3.57Å; D318-R465 IonicContact OD2-CZ 2.74Å; D318-R465 IonicContact OD2-NH1 3.86Å; D318-R465 PolarHBondContact OD2-NH1 3.37Å; D318-R465 IonicContact OD2-NH2 3.66Å
319	V	97.2	Very high	95.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-29.3	-179.5	169.6	0	0	0	0	112.2	T247 K323	T247-V319 HydrophobicContact CG2-CG2 3.86Å; V319-K323 HydrophobicContact CG1-CD 4.19Å; V319-K323 HydrophobicContact CG1-CG 4.38Å; V319-K323 WeakPolarHBondContact O-CB 3.47Å; V319-K323 VanDerWaalsContact O-CG 3.25Å; V319-K323 WeakPolarHBondContact O-CG 3.28Å; V319-K323 PolarHBondContact O-N 2.98Å
320	E	95.4	Very high	95.8	Very high	80 Å²	80	52.8 Å²	52.8	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-76.2	-39.5	177.9	-63.6	-55.1	126.9	0	0	111.1	D318 L322 K323 Y324	D318-E320 VanDerWaalsContact C-N 3.26Å; D318-E320 PolarHBondContact O-N 3.13Å; D318-E320 WeakPolarHBondContact OD1-CA 3.45Å; D318-E320 WeakPolarHBondContact OD1-CB 3.01Å; D318-E320 PolarHBondContact OD1-N 2.87Å; E320-L322 VanDerWaalsContact C-N 3.31Å; E320-L322 PolarHBondContact O-N 3.38Å; E320-K323 PolarHBondContact O-N 3.1Å; E320-K323 IonicContact OE1-NZ 2.74Å; E320-K323 PolarHBondContact OE1-NZ 3.28Å; E320-Y324 WeakPolarHBondContact O-CB 3.28Å; E320-Y324 PolarHBondContact O-N 2.03Å
321	D	96.1	Very high	95.9	Very high	14 Å²	14	49.6 Å²	49.6	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-57.2	-46.7	169.3	-64.6	-35	0	0	0	110.4	P317 D318 Y324 V325 R355 F365	P317-D321 WeakPolarHBondContact CA-OD2 3.32Å; P317-D321 HydrophobicContact CB-CB 4.08Å; D318-D321 PolarHBondContact N-OD2 2.69Å; D318-D321 VanDerWaalsContact N-OD2 3.13Å; D318-D321 PolarHBondContact O-N 3.18Å; D318-D321 PolarHBondContact OD1-N 3.15Å; D321-Y324 PolarHBondContact O-N 2.9Å; D321-V325 WeakPolarHBondContact O-CG2 3.46Å; D321-V325 PolarHBondContact O-N 3.41Å; D321-R355 IonicContact OD1-NE 2.82Å; D321-R355 PolarHBondContact OD1-NE 2.93Å; D321-F365 HydrophobicContact CB-CD2 4.33Å; D321-F365 HydrophobicContact CB-CE2 4.4Å
322	L	97.9	Very high	96.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-48	177.7	175.4	69.1	0	0	0	112.7	T247 D318 E320 Y324 V325 L326 F365 I399 F457 Y468	T247-L322 HydrophobicContact CG2-CD2 4.4Å; D318-L322 PolarHBondContact O-N 3.14Å; E320-L322 VanDerWaalsContact C-N 3.31Å; E320-L322 PolarHBondContact O-N 3.38Å; L322-Y324 VanDerWaalsContact C-N 3.25Å; L322-Y324 PolarHBondContact O-N 2.73Å; L322-V325 PolarHBondContact O-N 3.28Å; L322-L326 HydrophobicContact CD1-CD1 3.77Å; L322-L326 HydrophobicContact CD1-CG 4.05Å; L322-L326 HydrophobicContact CD2-CD1 4.47Å; L322-L326 HydrophobicContact CG-CD1 3.88Å; L322-L326 HydrophobicContact CG-CG 4.44Å; L322-L326 WeakPolarHBondContact O-CB 3.21Å; L322-L326 WeakPolarHBondContact O-CG 3.22Å; L322-L326 PolarHBondContact O-N 2.74Å; L322-F365 HydrophobicContact CB-CE2 4.33Å; L322-F365 HydrophobicContact CB-CZ 4.46Å; L322-F365 HydrophobicContact CD1-CZ 3.83Å; L322-I399 HydrophobicContact CD1-CD1 4.07Å; L322-I399 HydrophobicContact CD1-CG1 3.97Å; L322-I399 HydrophobicContact CD1-CG2 3.91Å; L322-F457 HydrophobicContact CD1-CD1 4.46Å; L322-F457 HydrophobicContact CD2-CB 3.25Å; L322-F457 HydrophobicContact CD2-CD1 4.04Å; L322-F457 HydrophobicContact CD2-CD2 4.44Å; L322-F457 HydrophobicContact CD2-CG 3.69Å; L322-Y468 HydrophobicContact CD2-CD1 4.2Å; L322-Y468 HydrophobicContact CD2-CG 4.32Å
323	K	97.6	Very high	96.1	Very high	84 Å²	84	44.7 Å²	44.7	37%	0.365	23%	0.231	S	C	.	.	H	α-helix	trans	-58.2	-42	177.9	-79.7	170.6	-177.6	170	0	110.9	V319 E320 L326 S327 Y468	V319-K323 HydrophobicContact CG1-CD 4.19Å; V319-K323 HydrophobicContact CG1-CG 4.38Å; V319-K323 WeakPolarHBondContact O-CB 3.47Å; V319-K323 VanDerWaalsContact O-CG 3.25Å; V319-K323 WeakPolarHBondContact O-CG 3.28Å; V319-K323 PolarHBondContact O-N 2.98Å; E320-K323 PolarHBondContact O-N 3.1Å; E320-K323 IonicContact OE1-NZ 2.74Å; E320-K323 PolarHBondContact OE1-NZ 3.28Å; K323-L326 PolarHBondContact O-N 2.97Å; K323-S327 WeakPolarHBondContact O-CB 3.46Å; K323-S327 PolarHBondContact O-N 2.83Å; K323-Y468 HydrophobicContact CG-CD2 3.81Å; K323-Y468 HydrophobicContact CG-CE2 4.18Å
324	Y	97.1	Very high	96.1	Very high	41 Å²	41	38.1 Å²	38.1	16%	0.161	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-52.9	176.2	176.2	-103.6	0	0	0	111.4	E320 D321 L322 L326 S327 L328 C342 G354 R355	E320-Y324 WeakPolarHBondContact O-CB 3.28Å; E320-Y324 PolarHBondContact O-N 2.03Å; D321-Y324 PolarHBondContact O-N 2.9Å; L322-Y324 VanDerWaalsContact C-N 3.25Å; L322-Y324 PolarHBondContact O-N 2.73Å; Y324-L326 VanDerWaalsContact C-N 3.29Å; Y324-L326 PolarHBondContact O-N 2.98Å; Y324-S327 WeakPolarHBondContact O-CB 3.45Å; Y324-S327 PolarHBondContact O-N 3.37Å; Y324-S327 PolarHBondContact O-OG 3.07Å; Y324-L328 HydrophobicContact CE1-CD1 4.39Å; Y324-L328 HydrophobicContact CE2-CD2 4.38Å; Y324-C342 HydrophobicContact CE1-CB 4.38Å; Y324-C342 VanDerWaalsContact OH-CB 3.24Å; Y324-C342 WeakPolarHBondContact OH-CB 3.49Å; Y324-C342 PolarHBondContact OH-O 3.23Å; Y324-G354 VanDerWaalsContact CE1-O 3.27Å; Y324-G354 WeakPolarHBondContact CE1-O 3.35Å; Y324-R355 VanDerWaalsContact CD1-CA 3.5Å; Y324-R355 HydrophobicContact CD1-CB 3.91Å; Y324-R355 HydrophobicContact CD2-CB 4.16Å; Y324-R355 HydrophobicContact CE1-CB 4.41Å; Y324-R355 HydrophobicContact CG-CB 3.75Å
325	V	98.1	Very high	95.9	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-55.8	-45.5	177.8	174.3	0	0	0	0	110.9	D321 L322 S327 L328 F345 A348 L349 F365	D321-V325 WeakPolarHBondContact O-CG2 3.46Å; D321-V325 PolarHBondContact O-N 3.41Å; L322-V325 PolarHBondContact O-N 3.28Å; V325-S327 VanDerWaalsContact C-N 3.27Å; V325-S327 PolarHBondContact O-N 3.33Å; V325-L328 PolarHBondContact O-N 2.89Å; V325-F345 HydrophobicContact CG1-CD2 3.91Å; V325-F345 HydrophobicContact CG1-CE2 3.72Å; V325-F345 WeakPolarHBondContact O-CD2 2.86Å; V325-A348 HydrophobicContact CG1-CB 4.39Å; V325-A348 HydrophobicContact CG2-CB 4.06Å; V325-L349 HydrophobicContact CG1-CB 4.36Å; V325-L349 HydrophobicContact CG1-CD1 4.43Å; V325-F365 HydrophobicContact CB-CZ 4.38Å; V325-F365 HydrophobicContact CG1-CE1 4.35Å; V325-F365 HydrophobicContact CG2-CD1 4.34Å; V325-F365 HydrophobicContact CG2-CD2 4.01Å; V325-F365 HydrophobicContact CG2-CE1 4.37Å; V325-F365 HydrophobicContact CG2-CE2 4.07Å; V325-F365 HydrophobicContact CG2-CG 4.14Å; V325-F365 HydrophobicContact CG2-CZ 4.22Å
326	L	98.3	Very high	95.6	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-71.5	-16	179.4	-71.3	176.8	0	0	0	114.1	L322 K323 Y324 L328 I399 C402 W403 Y407 Y468	L322-L326 HydrophobicContact CD1-CD1 3.77Å; L322-L326 HydrophobicContact CD1-CG 4.05Å; L322-L326 HydrophobicContact CD2-CD1 4.47Å; L322-L326 HydrophobicContact CG-CD1 3.88Å; L322-L326 HydrophobicContact CG-CG 4.44Å; L322-L326 WeakPolarHBondContact O-CB 3.21Å; L322-L326 WeakPolarHBondContact O-CG 3.22Å; L322-L326 PolarHBondContact O-N 2.74Å; K323-L326 PolarHBondContact O-N 2.97Å; Y324-L326 VanDerWaalsContact C-N 3.29Å; Y324-L326 PolarHBondContact O-N 2.98Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L326-I399 HydrophobicContact CD2-CG2 3.95Å; L326-I399 HydrophobicContact CG-CG2 4.42Å; L326-C402 HydrophobicContact CD2-CB 4.13Å; L326-W403 HydrophobicContact CD2-CB 4.1Å; L326-Y407 WeakPolarHBondContact O-CE2 3.04Å; L326-Y407 PolarHBondContact O-OH 2.92Å; L326-Y468 HydrophobicContact CD1-CD1 3.92Å; L326-Y468 HydrophobicContact CD1-CE1 3.38Å
327	S	97.7	Very high	95	Very high	67 Å²	67	39.8 Å²	39.8	47%	0.469	22%	0.217	S	C	.	.	H	α-helix	trans	-78.7	-17.1	176.4	76.8	0	0	0	0	113.9	K323 Y324 V325 S329 Y407	K323-S327 WeakPolarHBondContact O-CB 3.46Å; K323-S327 PolarHBondContact O-N 2.83Å; Y324-S327 WeakPolarHBondContact O-CB 3.45Å; Y324-S327 PolarHBondContact O-N 3.37Å; Y324-S327 PolarHBondContact O-OG 3.07Å; V325-S327 VanDerWaalsContact C-N 3.27Å; V325-S327 PolarHBondContact O-N 3.33Å; S327-S329 PolarHBondContact O-N 3.03Å; S327-Y407 PolarHBondContact O-OH 3.11Å
328	L	97.5	Very high	94.2	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.084	26%	0.258	C	S	.	.			trans	-75.3	106	-177.3	-61.8	179	0	0	0	110	Y324 V325 L326 F345 A348 W403	Y324-L328 HydrophobicContact CE1-CD1 4.39Å; Y324-L328 HydrophobicContact CE2-CD2 4.38Å; V325-L328 PolarHBondContact O-N 2.89Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L328-F345 HydrophobicContact CB-CB 4.23Å; L328-A348 HydrophobicContact CD1-CB 3.46Å; L328-A348 VanDerWaalsContact CD1-CB 3.46Å; L328-W403 PolarHBondContact O-NE1 3.12Å
329	S	97.1	Very high	93.6	Very high	75 Å²	75	48.6 Å²	48.6	52%	0.524	27%	0.266	S	S	.	.			trans	-77	-21.4	-176.3	61.5	0	0	0	0	114.3	S327	S327-S329 PolarHBondContact O-N 3.03Å
330	Q	97.1	Very high	92.8	Very high	99 Å²	99	54.9 Å²	54.9	46%	0.463	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-88.9	125.5	179.3	-59.9	-167.9	-88	0	0	109.8	V333 F345	Q330-V333 HydrophobicContact CB-CG2 3.93Å; Q330-V333 HydrophobicContact CG-CG2 4.41Å; Q330-F345 WeakPolarHBondContact O-CB 3.43Å; Q330-F345 PolarHBondContact O-N 2.62Å
331	Y	97.6	Very high	92.4	Very high	5 Å²	5	55 Å²	55	2%	0.02	31%	0.313	C	S	.	.	S	Bend	trans	-59.1	-51.5	175.6	-180	-118.6	0	0	0	111.3	V209 P212 F345 N346 F400 W403 Y414 F442	V209-Y331 HydrophobicContact CB-CE1 4.37Å; V209-Y331 PolarHBondContact O-OH 3.11Å; P212-Y331 HydrophobicContact CG-CE2 4.17Å; Y331-F345 HydrophobicContact CD2-CD1 4.04Å; Y331-F345 HydrophobicContact CE2-CD1 4.3Å; Y331-F345 PolarHBondContact O-N 2.98Å; Y331-N346 HydrophobicContact CD2-CB 4.35Å; Y331-N346 HydrophobicContact CE2-CB 3.89Å; Y331-N346 PolarHBondContact O-N 3.47Å; Y331-N346 PolarHBondContact O-OD1 3.17Å; Y331-F400 HydrophobicContact CE2-CE2 4.21Å; Y331-W403 HydrophobicContact CD2-CH2 4.05Å; Y331-W403 HydrophobicContact CD2-CZ3 4.03Å; Y331-W403 HydrophobicContact CG-CH2 4.31Å; Y331-Y414 HydrophobicContact CD1-CD2 4.3Å; Y331-Y414 AromaticContact CE1-CD2 3.51Å; Y331-Y414 HydrophobicContact CE1-CD2 3.51Å; Y331-Y414 AromaticContact CE1-CE2 3.7Å; Y331-Y414 HydrophobicContact CE1-CE2 3.7Å; Y331-Y414 HydrophobicContact CE1-CG 4.21Å; Y331-Y414 AromaticContact CZ-CD2 3.96Å; Y331-Y414 AromaticContact CZ-CE2 3.91Å; Y331-Y414 WeakPolarHBondContact OH-CE2 3.26Å; Y331-F442 HydrophobicContact CD1-CE2 4.07Å; Y331-F442 HydrophobicContact CD1-CZ 4.3Å; Y331-F442 AromaticContact CD2-CE2 3.53Å; Y331-F442 HydrophobicContact CD2-CE2 3.53Å; Y331-F442 HydrophobicContact CD2-CZ 4.05Å; Y331-F442 HydrophobicContact CE1-CD2 4.49Å; Y331-F442 HydrophobicContact CE1-CE2 4.07Å; Y331-F442 HydrophobicContact CE2-CD2 4.23Å; Y331-F442 AromaticContact CE2-CE2 3.55Å; Y331-F442 HydrophobicContact CE2-CE2 3.55Å; Y331-F442 HydrophobicContact CE2-CZ 4.48Å; Y331-F442 AromaticContact CG-CE2 3.79Å; Y331-F442 HydrophobicContact CG-CE2 3.79Å; Y331-F442 AromaticContact CG-CZ 3.93Å; Y331-F442 HydrophobicContact CG-CZ 3.93Å; Y331-F442 AromaticContact CZ-CE2 3.79Å
332	Y	96.1	Very high	92.2	Very high	49 Å²	49	54.9 Å²	54.9	19%	0.192	31%	0.313	C	S	.	.			trans	-148.4	139.9	-178.6	172.9	-108.7	0	0	0	110.3	V209 P334 S344 P415 N418 V419	V209-Y332 HydrophobicContact CG1-CD1 3.7Å; V209-Y332 HydrophobicContact CG1-CD2 3.37Å; V209-Y332 HydrophobicContact CG1-CE1 3.92Å; V209-Y332 HydrophobicContact CG1-CE2 3.63Å; V209-Y332 HydrophobicContact CG1-CG 3.38Å; Y332-P334 HydrophobicContact CD1-CG 4.43Å; Y332-P334 HydrophobicContact CE1-CB 4.3Å; Y332-P334 HydrophobicContact CE1-CG 4.08Å; Y332-S344 WeakPolarHBondContact CA-OG 3.41Å; Y332-P415 HydrophobicContact CD1-CB 4.07Å; Y332-P415 HydrophobicContact CD1-CG 3.64Å; Y332-P415 HydrophobicContact CE1-CB 4.47Å; Y332-P415 HydrophobicContact CE1-CG 4.22Å; Y332-P415 HydrophobicContact CG-CG 4.25Å; Y332-N418 PolarHBondContact OH-O 2.91Å; Y332-V419 HydrophobicContact CE1-CG1 4.03Å
333	V	94.4	Very high	92	Very high	14 Å²	14	59.9 Å²	59.9	9%	0.085	33%	0.332	C	S	.	.			trans	-116.8	118.3	173.2	-174.1	0	0	0	0	108.5	Q330 G335 E336 R343 S344	Q330-V333 HydrophobicContact CB-CG2 3.93Å; Q330-V333 HydrophobicContact CG-CG2 4.41Å; V333-G335 PolarHBondContact O-N 3.37Å; V333-E336 HydrophobicContact CB-CB 4.24Å; V333-E336 WeakPolarHBondContact CB-OE2 3.31Å; V333-E336 VanDerWaalsContact O-CB 3.27Å; V333-E336 WeakPolarHBondContact O-CB 3.19Å; V333-E336 PolarHBondContact O-N 3.41Å; V333-R343 HydrophobicContact CG2-CB 4.01Å; V333-S344 PolarHBondContact N-OG 3.41Å
334	P	91	Very high	91.9	Very high	77 Å²	77	55.9 Å²	55.9	50%	0.5	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	136	-179.7	-27.1	34.9	0	0	0	112.9	Y332 E336	Y332-P334 HydrophobicContact CD1-CG 4.43Å; Y332-P334 HydrophobicContact CE1-CB 4.3Å; Y332-P334 HydrophobicContact CE1-CG 4.08Å; P334-E336 PolarHBondContact O-N 2.8Å
335	G	86.4	Confident	92	Very high	55 Å²	55	53.9 Å²	53.9	57%	0.567	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-0.5	177.7	0	0	0	0	0	115.4	V333 R337 L338	V333-G335 PolarHBondContact O-N 3.37Å; G335-R337 PolarHBondContact O-N 2.81Å; G335-L338 PolarHBondContact O-N 3.23Å
336	E	86.8	Confident	91.9	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.019	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-63.3	-25.2	-177	-178.5	-179.1	143.6	0	0	114.1	V333 P334 L338 S339 C342 R343 S344 I347	V333-E336 HydrophobicContact CB-CB 4.24Å; V333-E336 WeakPolarHBondContact CB-OE2 3.31Å; V333-E336 VanDerWaalsContact O-CB 3.27Å; V333-E336 WeakPolarHBondContact O-CB 3.19Å; V333-E336 PolarHBondContact O-N 3.41Å; P334-E336 PolarHBondContact O-N 2.8Å; E336-L338 PolarHBondContact O-N 3Å; E336-S339 WeakPolarHBondContact O-CA 3.47Å; E336-S339 VanDerWaalsContact O-CB 3.27Å; E336-S339 WeakPolarHBondContact O-CB 3.4Å; E336-S339 PolarHBondContact O-N 3.25Å; E336-C342 WeakPolarHBondContact OE1-CA 3.39Å; E336-R343 VanDerWaalsContact CD-N 3.31Å; E336-R343 PolarHBondContact OE1-N 2.88Å; E336-R343 WeakPolarHBondContact OE2-CB 3.38Å; E336-R343 PolarHBondContact OE2-N 2.84Å; E336-S344 VanDerWaalsContact CD-N 3.25Å; E336-S344 PolarHBondContact OE1-N 3.28Å; E336-S344 VanDerWaalsContact OE2-CB 3.23Å; E336-S344 WeakPolarHBondContact OE2-CB 3.44Å; E336-S344 PolarHBondContact OE2-N 3.16Å; E336-S344 PolarHBondContact OE2-OG 2.93Å; E336-I347 HydrophobicContact CB-CD1 4.11Å; E336-I347 HydrophobicContact CG-CD1 4.23Å
337	R	82.5	Confident	91.8	Very high	116 Å²	116	54.1 Å²	54.1	44%	0.438	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-56.3	-21.2	-178.2	-169.6	62	-177.9	88.3	-1.9	113.8	D207 G335	D207-R337 IonicContact OD1-CZ 2.71Å; D207-R337 IonicContact OD1-NE 3.62Å; D207-R337 PolarHBondContact OD1-NE 2.97Å; D207-R337 IonicContact OD1-NH2 3.49Å; G335-R337 PolarHBondContact O-N 2.81Å
338	L	79.6	Confident	91.7	Very high	167 Å²	167	50.9 Å²	50.9	87%	0.874	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-99.3	-0.2	177.1	-56.8	177.1	0	0	0	113.7	G335 E336	G335-L338 PolarHBondContact O-N 3.23Å; E336-L338 PolarHBondContact O-N 3Å
339	S	83.4	Confident	91.7	Very high	44 Å²	44	50.1 Å²	50.1	31%	0.308	28%	0.281	S	S	.	.			trans	-94.7	141.6	-178.9	166	0	0	0	0	110.7	E336 V341	E336-S339 WeakPolarHBondContact O-CA 3.47Å; E336-S339 VanDerWaalsContact O-CB 3.27Å; E336-S339 WeakPolarHBondContact O-CB 3.4Å; E336-S339 PolarHBondContact O-N 3.25Å; S339-V341 PolarHBondContact O-N 3.42Å; S339-V341 PolarHBondContact OG-N 3.46Å; S339-V341 PolarHBondContact OG-O 2.93Å
340	P	80.9	Confident	91.8	Very high	133 Å²	133	46.7 Å²	46.7	86%	0.864	26%	0.257	S	S	*	.	S	Bend	trans	-73.3	-15.2	170.6	31.6	-35	0	0	0	112.6
341	V	87.4	Confident	91.7	Very high	83 Å²	83	42 Å²	42	50%	0.503	24%	0.235	S	C	.	.	S	Bend	trans	-91.8	120.9	179.9	-170.1	0	0	0	0	110.2	S339 R343	S339-V341 PolarHBondContact O-N 3.42Å; S339-V341 PolarHBondContact OG-N 3.46Å; S339-V341 PolarHBondContact OG-O 2.93Å; V341-R343 HydrophobicContact CG1-CG 3.78Å
342	C	92	Very high	91.5	Very high	11 Å²	11	43.3 Å²	43.3	7%	0.074	24%	0.241	C	C	.	.			trans	-85.4	116	176	-170.9	0	0	0	0	109.8	Y324 E336 C353	Y324-C342 HydrophobicContact CE1-CB 4.38Å; Y324-C342 VanDerWaalsContact OH-CB 3.24Å; Y324-C342 WeakPolarHBondContact OH-CB 3.49Å; Y324-C342 PolarHBondContact OH-O 3.23Å; E336-C342 WeakPolarHBondContact OE1-CA 3.39Å; C342-C353 HydrophobicContact CB-CB 3.47Å; C342-C353 VanDerWaalsContact CB-CB 3.47Å; C342-C353 WeakPolarHBondContact CB-SG 3.23Å; C342-C353 WeakPolarHBondContact SG-CB 3.32Å; C342-C353 CovalentContact SG-SG 2.03Å; C342-C353 PolarHBondContact SG-SG 2.91Å
343	R	93.9	Very high	91.3	Very high	106 Å²	106	42.1 Å²	42.1	40%	0.4	24%	0.239	S	C	.	.			trans	-133.7	-23.2	-175.6	-56	-178.9	-67.8	-176.2	-3.1	112.7	V333 E336 V341	V333-R343 HydrophobicContact CG2-CB 4.01Å; E336-R343 VanDerWaalsContact CD-N 3.31Å; E336-R343 PolarHBondContact OE1-N 2.88Å; E336-R343 WeakPolarHBondContact OE2-CB 3.38Å; E336-R343 PolarHBondContact OE2-N 2.84Å; V341-R343 HydrophobicContact CG1-CG 3.78Å
344	S	95.7	Very high	91.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-87.7	119.6	-178.5	-67.1	0	0	0	0	110.5	Y332 V333 E336 N346 I347 A348	Y332-S344 WeakPolarHBondContact CA-OG 3.41Å; V333-S344 PolarHBondContact N-OG 3.41Å; E336-S344 VanDerWaalsContact CD-N 3.25Å; E336-S344 PolarHBondContact OE1-N 3.28Å; E336-S344 VanDerWaalsContact OE2-CB 3.23Å; E336-S344 WeakPolarHBondContact OE2-CB 3.44Å; E336-S344 PolarHBondContact OE2-N 3.16Å; E336-S344 PolarHBondContact OE2-OG 2.93Å; S344-N346 VanDerWaalsContact C-N 3.28Å; S344-N346 WeakPolarHBondContact CB-OD1 3.45Å; S344-N346 PolarHBondContact O-N 2.82Å; S344-I347 PolarHBondContact O-N 3.38Å; S344-A348 PolarHBondContact O-N 2.82Å; S344-A348 VanDerWaalsContact O-N 3.07Å
345	F	97.8	Very high	91.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-54	-44.6	173.7	169.4	-98.8	0	0	0	112	V325 L328 Q330 Y331 I347 A348 L349 F400 W403	V325-F345 HydrophobicContact CG1-CD2 3.91Å; V325-F345 HydrophobicContact CG1-CE2 3.72Å; V325-F345 WeakPolarHBondContact O-CD2 2.86Å; L328-F345 HydrophobicContact CB-CB 4.23Å; Q330-F345 WeakPolarHBondContact O-CB 3.43Å; Q330-F345 PolarHBondContact O-N 2.62Å; Y331-F345 HydrophobicContact CD2-CD1 4.04Å; Y331-F345 HydrophobicContact CE2-CD1 4.3Å; Y331-F345 PolarHBondContact O-N 2.98Å; F345-I347 PolarHBondContact O-N 2.72Å; F345-A348 PolarHBondContact O-N 2.96Å; F345-L349 HydrophobicContact CE1-CB 4.31Å; F345-L349 HydrophobicContact CE1-CD2 3.8Å; F345-L349 HydrophobicContact CE2-CB 4.42Å; F345-L349 HydrophobicContact CE2-CD1 4.42Å; F345-L349 HydrophobicContact CZ-CB 4.15Å; F345-L349 HydrophobicContact CZ-CD1 4.02Å; F345-L349 HydrophobicContact CZ-CD2 3.81Å; F345-L349 HydrophobicContact CZ-CG 4.21Å; F345-L349 WeakPolarHBondContact O-CB 3.45Å; F345-L349 PolarHBondContact O-N 3.1Å; F345-F400 AromaticContact CE1-CD2 3.6Å; F345-F400 HydrophobicContact CE1-CD2 3.6Å; F345-F400 HydrophobicContact CE1-CE2 4.24Å; F345-F400 HydrophobicContact CE1-CG 4.45Å; F345-F400 HydrophobicContact CZ-CB 4.49Å; F345-F400 HydrophobicContact CZ-CD2 4.17Å; F345-W403 HydrophobicContact CB-CZ2 4.29Å; F345-W403 AromaticContact CD1-CD2 3.77Å; F345-W403 HydrophobicContact CD1-CD2 3.77Å; F345-W403 AromaticContact CD1-CE2 4Å; F345-W403 HydrophobicContact CD1-CE3 4.13Å; F345-W403 AromaticContact CD1-CG 3.95Å; F345-W403 HydrophobicContact CD1-CG 3.95Å; F345-W403 HydrophobicContact CD2-CB 4.15Å; F345-W403 AromaticContact CD2-CD1 3.16Å; F345-W403 HydrophobicContact CD2-CD2 4.15Å; F345-W403 AromaticContact CD2-CG 3.57Å; F345-W403 HydrophobicContact CD2-CG 3.57Å; F345-W403 AromaticContact CD2-NE1 3.55Å; F345-W403 HydrophobicContact CE1-CB 4.08Å; F345-W403 AromaticContact CE1-CD2 3.99Å; F345-W403 HydrophobicContact CE1-CD2 3.99Å; F345-W403 HydrophobicContact CE1-CE3 4.21Å; F345-W403 AromaticContact CE1-CG 3.9Å; F345-W403 HydrophobicContact CE1-CG 3.9Å; F345-W403 HydrophobicContact CE2-CB 3.55Å; F345-W403 AromaticContact CE2-CD1 3.48Å; F345-W403 VanDerWaalsContact CE2-CD1 3.48Å; F345-W403 HydrophobicContact CE2-CD2 4.33Å; F345-W403 AromaticContact CE2-CG 3.49Å; F345-W403 HydrophobicContact CE2-CG 3.49Å; F345-W403 VanDerWaalsContact CE2-CG 3.49Å; F345-W403 AromaticContact CG-CD1 3.56Å; F345-W403 AromaticContact CG-CD2 3.85Å; F345-W403 HydrophobicContact CG-CD2 3.85Å; F345-W403 AromaticContact CG-CE2 3.73Å; F345-W403 AromaticContact CG-CG 3.79Å; F345-W403 HydrophobicContact CG-CG 3.79Å; F345-W403 HydrophobicContact CG-CZ2 4.48Å; F345-W403 AromaticContact CG-NE1 3.48Å; F345-W403 HydrophobicContact CZ-CB 3.51Å; F345-W403 HydrophobicContact CZ-CD2 4.27Å; F345-W403 AromaticContact CZ-CG 3.68Å; F345-W403 HydrophobicContact CZ-CG 3.68Å
346	N	97.1	Very high	91.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-39.2	-176.7	78.9	-67.4	0	0	0	112.5	G208 P212 Y331 S344 E350	G208-N346 PolarHBondContact O-ND2 3.31Å; P212-N346 HydrophobicContact CG-CB 4.23Å; Y331-N346 HydrophobicContact CD2-CB 4.35Å; Y331-N346 HydrophobicContact CE2-CB 3.89Å; Y331-N346 PolarHBondContact O-N 3.47Å; Y331-N346 PolarHBondContact O-OD1 3.17Å; S344-N346 VanDerWaalsContact C-N 3.28Å; S344-N346 WeakPolarHBondContact CB-OD1 3.45Å; S344-N346 PolarHBondContact O-N 2.82Å; N346-E350 WeakPolarHBondContact O-CB 3.4Å; N346-E350 PolarHBondContact O-N 3.3Å; N346-E350 VanDerWaalsContact O-N 3.08Å
347	I	95.2	Very high	91.2	Very high	14 Å²	14	50 Å²	50	7%	0.072	28%	0.284	C	S	.	.	H	α-helix	trans	-69.5	-41.5	179.7	-59.5	-177.2	0	0	0	110.4	E336 S344 F345 G351 F352 C353	E336-I347 HydrophobicContact CB-CD1 4.11Å; E336-I347 HydrophobicContact CG-CD1 4.23Å; S344-I347 PolarHBondContact O-N 3.38Å; F345-I347 PolarHBondContact O-N 2.72Å; I347-G351 PolarHBondContact O-N 2.69Å; I347-F352 HydrophobicContact CG2-CB 3.69Å; I347-F352 PolarHBondContact O-N 2.92Å; I347-C353 HydrophobicContact CG2-CB 4.45Å
348	A	96.4	Very high	91.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69	-41	176.7	0	0	0	0	0	112.3	V325 L328 S344 F345 G351	V325-A348 HydrophobicContact CG1-CB 4.39Å; V325-A348 HydrophobicContact CG2-CB 4.06Å; L328-A348 HydrophobicContact CD1-CB 3.46Å; L328-A348 VanDerWaalsContact CD1-CB 3.46Å; S344-A348 PolarHBondContact O-N 2.82Å; S344-A348 VanDerWaalsContact O-N 3.07Å; F345-A348 PolarHBondContact O-N 2.96Å; A348-G351 WeakPolarHBondContact O-CA 3.43Å; A348-G351 PolarHBondContact O-N 3.44Å; A348-G351 VanDerWaalsContact O-N 3.15Å
349	L	98.4	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-45	176.7	-178.5	72	0	0	0	111.4	F211 P212 V325 F345 G351 F365 H366 I396 I399 F400	F211-L349 HydrophobicContact CE1-CD2 4.25Å; F211-L349 HydrophobicContact CE1-CG 4.3Å; P212-L349 HydrophobicContact CB-CD2 4.25Å; P212-L349 HydrophobicContact CG-CD2 3.98Å; V325-L349 HydrophobicContact CG1-CB 4.36Å; V325-L349 HydrophobicContact CG1-CD1 4.43Å; F345-L349 HydrophobicContact CE1-CB 4.31Å; F345-L349 HydrophobicContact CE1-CD2 3.8Å; F345-L349 HydrophobicContact CE2-CB 4.42Å; F345-L349 HydrophobicContact CE2-CD1 4.42Å; F345-L349 HydrophobicContact CZ-CB 4.15Å; F345-L349 HydrophobicContact CZ-CD1 4.02Å; F345-L349 HydrophobicContact CZ-CD2 3.81Å; F345-L349 HydrophobicContact CZ-CG 4.21Å; F345-L349 WeakPolarHBondContact O-CB 3.45Å; F345-L349 PolarHBondContact O-N 3.1Å; L349-G351 VanDerWaalsContact C-N 3.26Å; L349-G351 PolarHBondContact O-N 3.28Å; L349-F365 HydrophobicContact CD1-CD1 4.21Å; L349-F365 HydrophobicContact CD1-CE1 3.86Å; L349-F365 WeakPolarHBondContact O-CD1 3.26Å; L349-H366 VanDerWaalsContact O-CB 3.26Å; L349-H366 WeakPolarHBondContact O-CB 3.45Å; L349-I396 HydrophobicContact CD1-CG2 4.12Å; L349-I396 HydrophobicContact CD2-CG2 4Å; L349-I396 HydrophobicContact CG-CG2 4.02Å; L349-I399 HydrophobicContact CD1-CB 4.05Å; L349-I399 HydrophobicContact CD1-CG2 3.67Å; L349-F400 HydrophobicContact CD2-CB 4.21Å
350	E	97.2	Very high	90.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-69.6	-28.9	176.5	-169.4	169.6	-179.6	0	0	111.8	H206 D207 F211 N346 F352 H366 N367	H206-E350 VanDerWaalsContact CA-OE1 3.24Å; H206-E350 WeakPolarHBondContact CA-OE1 3.18Å; H206-E350 WeakPolarHBondContact CB-OE1 3.37Å; H206-E350 IonicContact CD2-OE1 3.46Å; H206-E350 IonicContact CG-OE1 2.69Å; D207-E350 VanDerWaalsContact N-CD 3.33Å; D207-E350 PolarHBondContact N-OE1 3.42Å; D207-E350 PolarHBondContact N-OE2 3.32Å; F211-E350 WeakPolarHBondContact CB-OE2 3.44Å; F211-E350 HydrophobicContact CD1-CB 3.72Å; F211-E350 HydrophobicContact CD1-CG 4.03Å; F211-E350 HydrophobicContact CD2-CB 4.44Å; F211-E350 HydrophobicContact CD2-CG 3.83Å; F211-E350 HydrophobicContact CE1-CB 3.84Å; F211-E350 HydrophobicContact CE1-CG 4.11Å; F211-E350 HydrophobicContact CE2-CG 3.91Å; F211-E350 HydrophobicContact CG-CB 4.05Å; F211-E350 HydrophobicContact CG-CG 3.91Å; F211-E350 HydrophobicContact CZ-CB 4.26Å; F211-E350 HydrophobicContact CZ-CG 4.05Å; N346-E350 WeakPolarHBondContact O-CB 3.4Å; N346-E350 PolarHBondContact O-N 3.3Å; N346-E350 VanDerWaalsContact O-N 3.08Å; E350-F352 HydrophobicContact CB-CD2 4.21Å; E350-F352 HydrophobicContact CG-CD2 3.96Å; E350-F352 HydrophobicContact CG-CE2 3.8Å; E350-F352 WeakPolarHBondContact OE1-CE2 3.2Å; E350-H366 WeakPolarHBondContact O-CB 3.25Å; E350-H366 PolarHBondContact O-ND1 2.86Å; E350-N367 PolarHBondContact O-N 2.91Å; E350-N367 PolarHBondContact O-ND2 3Å; E350-N367 VanDerWaalsContact O-ND2 3.13Å; E350-N367 PolarHBondContact O-OD1 3.17Å
351	G	96.1	Very high	90.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	38.3	175	0	0	0	0	0	113.9	I347 A348 L349 W364 N367	I347-G351 PolarHBondContact O-N 2.69Å; A348-G351 WeakPolarHBondContact O-CA 3.43Å; A348-G351 PolarHBondContact O-N 3.44Å; A348-G351 VanDerWaalsContact O-N 3.15Å; L349-G351 VanDerWaalsContact C-N 3.26Å; L349-G351 PolarHBondContact O-N 3.28Å; G351-W364 VanDerWaalsContact CA-O 3.26Å; G351-W364 WeakPolarHBondContact CA-O 3.43Å; G351-W364 PolarHBondContact O-N 2.86Å; G351-N367 PolarHBondContact O-ND2 3.39Å
352	F	93	Very high	90.8	Very high	33 Å²	33	42.9 Å²	42.9	15%	0.145	26%	0.255	C	S	.	.	S	Bend	trans	-91.2	-9.3	167.2	-76	-67.1	0	0	0	113.2	D207 I347 E350	D207-F352 HydrophobicContact CB-CE2 3.68Å; D207-F352 HydrophobicContact CB-CZ 3.73Å; I347-F352 HydrophobicContact CG2-CB 3.69Å; I347-F352 PolarHBondContact O-N 2.92Å; E350-F352 HydrophobicContact CB-CD2 4.21Å; E350-F352 HydrophobicContact CG-CD2 3.96Å; E350-F352 HydrophobicContact CG-CE2 3.8Å; E350-F352 WeakPolarHBondContact OE1-CE2 3.2Å
353	C	92.6	Very high	90.7	Very high	24 Å²	24	48.5 Å²	48.5	16%	0.162	28%	0.275	C	S	.	.	S	Bend	trans	-148.1	166.4	168.4	63.3	0	0	0	0	109.9	C342 I347	C342-C353 HydrophobicContact CB-CB 3.47Å; C342-C353 VanDerWaalsContact CB-CB 3.47Å; C342-C353 WeakPolarHBondContact CB-SG 3.23Å; C342-C353 WeakPolarHBondContact SG-CB 3.32Å; C342-C353 CovalentContact SG-SG 2.03Å; C342-C353 PolarHBondContact SG-SG 2.91Å; I347-C353 HydrophobicContact CG2-CB 4.45Å
354	G	90.6	Very high	90.7	Very high	14 Å²	14	45.2 Å²	45.2	14%	0.144	26%	0.263	C	S	.	.			trans	-141	-170.1	-178.7	0	0	0	0	0	111.8	Y324	Y324-G354 VanDerWaalsContact CE1-O 3.27Å; Y324-G354 WeakPolarHBondContact CE1-O 3.35Å
355	R	91.3	Very high	90.7	Very high	112 Å²	112	45.5 Å²	45.5	42%	0.423	26%	0.264	S	S	.	.	S	Bend	trans	-56.4	160.7	177.8	64.1	-176.5	177.4	86.1	-2.9	112.7	D321 Y324 G357 A358	D321-R355 IonicContact OD1-NE 2.82Å; D321-R355 PolarHBondContact OD1-NE 2.93Å; Y324-R355 VanDerWaalsContact CD1-CA 3.5Å; Y324-R355 HydrophobicContact CD1-CB 3.91Å; Y324-R355 HydrophobicContact CD2-CB 4.16Å; Y324-R355 HydrophobicContact CE1-CB 4.41Å; Y324-R355 HydrophobicContact CG-CB 3.75Å; R355-G357 PolarHBondContact O-N 3.18Å; R355-A358 WeakPolarHBondContact O-CB 3.44Å; R355-A358 PolarHBondContact O-N 3.39Å
356	P	88.4	Confident	90.7	Very high	105 Å²	105	45.6 Å²	45.6	68%	0.682	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	132.4	171.9	-27.5	35.6	0	0	0	112.1	A358	P356-A358 VanDerWaalsContact C-N 3.32Å
357	G	85.5	Confident	90.7	Very high	84 Å²	84	46.1 Å²	46.1	87%	0.866	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-1.2	-175.1	0	0	0	0	0	115.1	R355	R355-G357 PolarHBondContact O-N 3.18Å
358	A	83.3	Confident	90.7	Very high	22 Å²	22	47.5 Å²	47.5	18%	0.182	27%	0.272	C	S	.	.			trans	-62.2	136	166.4	0	0	0	0	0	110.3	R355 P356 P360 W364	R355-A358 WeakPolarHBondContact O-CB 3.44Å; R355-A358 PolarHBondContact O-N 3.39Å; P356-A358 VanDerWaalsContact C-N 3.32Å; A358-P360 WeakPolarHBondContact O-CD 3.41Å; A358-W364 HydrophobicContact CB-CD2 4.21Å; A358-W364 HydrophobicContact CB-CH2 3.96Å; A358-W364 HydrophobicContact CB-CZ2 3.55Å; A358-W364 HydrophobicContact CB-CZ3 4.43Å
359	D	81	Confident	90.7	Very high	65 Å²	65	47.5 Å²	47.5	35%	0.348	27%	0.272	S	S	.	.			trans	-58.3	118.7	170.9	168.3	27.1	0	0	0	110.5	N361 S362 W364	D359-N361 PolarHBondContact O-N 2.86Å; D359-N361 WeakPolarHBondContact OD1-CB 3.38Å; D359-N361 PolarHBondContact OD1-N 3.46Å; D359-N361 PolarHBondContact OD1-ND2 2.94Å; D359-S362 PolarHBondContact O-N 3.29Å; D359-S362 WeakPolarHBondContact OD2-CB 3.38Å; D359-S362 PolarHBondContact OD2-N 3.46Å; D359-S362 PolarHBondContact OD2-OG 3.35Å; D359-W364 HydrophobicContact CB-CZ2 4.1Å; D359-W364 VanDerWaalsContact N-CZ2 3.3Å; D359-W364 WeakPolarHBondContact O-CZ2 3.36Å; D359-W364 PolarHBondContact O-NE1 3.13Å
360	P	75.5	Confident	90.7	Very high	108 Å²	108	48.3 Å²	48.3	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.3	-179.2	28.3	-36.1	0	0	0	113.4	A358	A358-P360 WeakPolarHBondContact O-CD 3.41Å
361	N	79.8	Confident	90.6	Very high	149 Å²	149	51.3 Å²	51.3	80%	0.797	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.8	178.5	-59.3	-57.2	0	0	0	113.2	D359	D359-N361 PolarHBondContact O-N 2.86Å; D359-N361 WeakPolarHBondContact OD1-CB 3.38Å; D359-N361 PolarHBondContact OD1-N 3.46Å; D359-N361 PolarHBondContact OD1-ND2 2.94Å
362	S	85.6	Confident	90.6	Very high	50 Å²	50	52.3 Å²	52.3	35%	0.35	30%	0.3	S	S	.	.	S	Bend	trans	-86.8	150.4	-179.9	-77.6	0	0	0	0	112.2	D359 W364	D359-S362 PolarHBondContact O-N 3.29Å; D359-S362 WeakPolarHBondContact OD2-CB 3.38Å; D359-S362 PolarHBondContact OD2-N 3.46Å; D359-S362 PolarHBondContact OD2-OG 3.35Å; S362-W364 PolarHBondContact O-NE1 3Å; S362-W364 VanDerWaalsContact O-NE1 3.13Å
363	R	91.3	Very high	90.8	Very high	129 Å²	129	51 Å²	51	49%	0.487	29%	0.294	S	S	.	.			trans	-84.1	129.9	168.6	-67.9	-59.8	-175.3	115.9	5.1	109.7	N367 V371	R363-N367 HydrophobicContact CB-CB 3.75Å; R363-N367 HydrophobicContact CG-CB 4.22Å; R363-N367 PolarHBondContact NH1-ND2 3.03Å; R363-V371 HydrophobicContact CB-CG2 3.95Å; R363-V371 HydrophobicContact CG-CG2 4.02Å
364	W	93	Very high	90.9	Very high	38 Å²	38	51.4 Å²	51.4	14%	0.144	30%	0.295	C	S	.	.			trans	-110	175	-174.1	-63.7	98.4	0	0	0	112.1	G351 A358 D359 S362 H366 N367 K368	G351-W364 VanDerWaalsContact CA-O 3.26Å; G351-W364 WeakPolarHBondContact CA-O 3.43Å; G351-W364 PolarHBondContact O-N 2.86Å; A358-W364 HydrophobicContact CB-CD2 4.21Å; A358-W364 HydrophobicContact CB-CH2 3.96Å; A358-W364 HydrophobicContact CB-CZ2 3.55Å; A358-W364 HydrophobicContact CB-CZ3 4.43Å; D359-W364 HydrophobicContact CB-CZ2 4.1Å; D359-W364 VanDerWaalsContact N-CZ2 3.3Å; D359-W364 WeakPolarHBondContact O-CZ2 3.36Å; D359-W364 PolarHBondContact O-NE1 3.13Å; S362-W364 PolarHBondContact O-NE1 3Å; S362-W364 VanDerWaalsContact O-NE1 3.13Å; W364-H366 PolarHBondContact O-N 3.31Å; W364-N367 CarbonylContact O-C 3.48Å; W364-N367 WeakPolarHBondContact O-CA 3.4Å; W364-N367 WeakPolarHBondContact O-CB 3.21Å; W364-N367 PolarHBondContact O-N 3.41Å; W364-K368 PolarHBondContact O-N 3.36Å
365	F	95.7	Very high	91.1	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	40.6	-116.2	168.4	-141.4	-113	0	0	0	115.7	W246 P317 D321 L322 V325 L349 K368 I396 I399	W246-F365 HydrophobicContact CH2-CD1 4.38Å; W246-F365 HydrophobicContact CH2-CD2 4.09Å; W246-F365 HydrophobicContact CH2-CE1 4.22Å; W246-F365 AromaticContact CH2-CE2 3.89Å; W246-F365 HydrophobicContact CH2-CE2 3.89Å; W246-F365 HydrophobicContact CH2-CG 4.34Å; W246-F365 AromaticContact CH2-CZ 3.99Å; W246-F365 HydrophobicContact CH2-CZ 3.99Å; W246-F365 HydrophobicContact CZ3-CE2 4.48Å; P317-F365 HydrophobicContact CB-CD2 3.79Å; P317-F365 HydrophobicContact CB-CE2 4.22Å; P317-F365 HydrophobicContact CG-CD2 4.21Å; P317-F365 WeakPolarHBondContact CG-O 3.26Å; D321-F365 HydrophobicContact CB-CD2 4.33Å; D321-F365 HydrophobicContact CB-CE2 4.4Å; L322-F365 HydrophobicContact CB-CE2 4.33Å; L322-F365 HydrophobicContact CB-CZ 4.46Å; L322-F365 HydrophobicContact CD1-CZ 3.83Å; V325-F365 HydrophobicContact CB-CZ 4.38Å; V325-F365 HydrophobicContact CG1-CE1 4.35Å; V325-F365 HydrophobicContact CG2-CD1 4.34Å; V325-F365 HydrophobicContact CG2-CD2 4.01Å; V325-F365 HydrophobicContact CG2-CE1 4.37Å; V325-F365 HydrophobicContact CG2-CE2 4.07Å; V325-F365 HydrophobicContact CG2-CG 4.14Å; V325-F365 HydrophobicContact CG2-CZ 4.22Å; L349-F365 HydrophobicContact CD1-CD1 4.21Å; L349-F365 HydrophobicContact CD1-CE1 3.86Å; L349-F365 WeakPolarHBondContact O-CD1 3.26Å; F365-K368 WeakPolarHBondContact O-CB 3.44Å; F365-K368 PolarHBondContact O-N 2.91Å; F365-I396 HydrophobicContact CD1-CD1 4.49Å; F365-I399 HydrophobicContact CE1-CD1 3.59Å; F365-I399 HydrophobicContact CE1-CG2 4.22Å; F365-I399 HydrophobicContact CZ-CD1 3.68Å; F365-I399 HydrophobicContact CZ-CG2 4.41Å
366	H	97.8	Very high	91.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-52.8	-55	174.9	156.1	-89.4	0	0	0	112.1	F211 L349 E350 W364 K368 L369 H370 H392 H393 I396	F211-H366 AromaticContact CE2-CE1 3.63Å; F211-H366 AromaticContact CE2-NE2 3.64Å; F211-H366 HydrophobicContact CZ-CB 4.42Å; F211-H366 AromaticContact CZ-CD2 3.63Å; F211-H366 AromaticContact CZ-CE1 3.8Å; F211-H366 AromaticContact CZ-CG 3.75Å; F211-H366 AromaticContact CZ-ND1 3.85Å; F211-H366 AromaticContact CZ-NE2 3.64Å; L349-H366 VanDerWaalsContact O-CB 3.26Å; L349-H366 WeakPolarHBondContact O-CB 3.45Å; E350-H366 WeakPolarHBondContact O-CB 3.25Å; E350-H366 PolarHBondContact O-ND1 2.86Å; W364-H366 PolarHBondContact O-N 3.31Å; H366-K368 PolarHBondContact O-N 3.16Å; H366-K368 VanDerWaalsContact O-N 3.16Å; H366-L369 PolarHBondContact O-N 3.31Å; H366-L369 VanDerWaalsContact O-N 3.13Å; H366-H370 AromaticContact CD2-CD2 3.95Å; H366-H370 AromaticContact CD2-NE2 3.81Å; H366-H370 AromaticContact CE1-CD2 3.63Å; H366-H370 AromaticContact CE1-NE2 3.72Å; H366-H370 AromaticContact NE2-CD2 3.56Å; H366-H370 AromaticContact NE2-NE2 3.24Å; H366-H370 PolarHBondContact NE2-NE2 2.62Å; H366-H392 AromaticContact CD2-CD2 3.74Å; H366-H392 AromaticContact CD2-NE2 3.11Å; H366-H392 PolarHBondContact CD2-NE2 2.83Å; H366-H392 AromaticContact CG-NE2 3.72Å; H366-H393 AromaticContact CD2-CE1 3.75Å; H366-H393 AromaticContact CD2-NE2 3.99Å; H366-H393 AromaticContact NE2-CE1 3.15Å; H366-H393 PolarHBondContact NE2-CE1 3.11Å; H366-H393 AromaticContact NE2-NE2 3.37Å; H366-H393 PolarHBondContact NE2-NE2 3.47Å; H366-I396 HydrophobicContact CB-CD1 3.77Å; H366-I396 HydrophobicContact CB-CG1 4.25Å
367	N	96.7	Very high	91.7	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-30.6	-178.7	-69.7	-22.6	0	0	0	112.9	E350 G351 R363 W364 L369 H370 V371	E350-N367 PolarHBondContact O-N 2.91Å; E350-N367 PolarHBondContact O-ND2 3Å; E350-N367 VanDerWaalsContact O-ND2 3.13Å; E350-N367 PolarHBondContact O-OD1 3.17Å; G351-N367 PolarHBondContact O-ND2 3.39Å; R363-N367 HydrophobicContact CB-CB 3.75Å; R363-N367 HydrophobicContact CG-CB 4.22Å; R363-N367 PolarHBondContact NH1-ND2 3.03Å; W364-N367 CarbonylContact O-C 3.48Å; W364-N367 WeakPolarHBondContact O-CA 3.4Å; W364-N367 WeakPolarHBondContact O-CB 3.21Å; W364-N367 PolarHBondContact O-N 3.41Å; N367-L369 VanDerWaalsContact C-N 3.31Å; N367-L369 PolarHBondContact O-N 3.02Å; N367-H370 PolarHBondContact O-N 2.93Å; N367-V371 WeakPolarHBondContact O-CG2 3.4Å; N367-V371 PolarHBondContact O-N 3.17Å
368	K	96.1	Very high	92	Very high	42 Å²	42	39.9 Å²	39.9	18%	0.183	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-41.6	178.7	-166.4	-179.7	-166.4	-169.4	0	111.4	N315 P317 W364 F365 H366 V371 L372	N315-K368 WeakPolarHBondContact O-CE 3.41Å; N315-K368 PolarHBondContact O-NZ 2.82Å; P317-K368 HydrophobicContact CG-CB 4.31Å; P317-K368 HydrophobicContact CG-CD 3.99Å; W364-K368 PolarHBondContact O-N 3.36Å; F365-K368 WeakPolarHBondContact O-CB 3.44Å; F365-K368 PolarHBondContact O-N 2.91Å; H366-K368 PolarHBondContact O-N 3.16Å; H366-K368 VanDerWaalsContact O-N 3.16Å; K368-V371 PolarHBondContact O-N 3.49Å; K368-L372 HydrophobicContact CG-CD1 4.12Å; K368-L372 HydrophobicContact CG-CG 4.46Å; K368-L372 WeakPolarHBondContact O-CB 3.3Å; K368-L372 VanDerWaalsContact O-CG 3.25Å; K368-L372 WeakPolarHBondContact O-CG 3.46Å; K368-L372 PolarHBondContact O-N 3.3Å
369	L	97	Very high	92.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-44.3	178.7	-176	150.3	0	0	0	111.3	W244 W246 L316 H366 N367 V371 L372 V373 M377 H392	W244-L369 HydrophobicContact CE3-CD1 3.97Å; W244-L369 HydrophobicContact CH2-CD1 4.08Å; W244-L369 HydrophobicContact CZ3-CD1 3.33Å; W244-L369 HydrophobicContact CZ3-CG 4.22Å; W246-L369 HydrophobicContact CB-CD1 4.31Å; W246-L369 VanDerWaalsContact CD1-CD1 3.41Å; W246-L369 HydrophobicContact CD2-CD1 4.27Å; W246-L369 HydrophobicContact CG-CD1 3.74Å; L316-L369 HydrophobicContact CD2-CB 4.05Å; L316-L369 HydrophobicContact CD2-CD1 3.88Å; L316-L369 HydrophobicContact CD2-CG 3.98Å; H366-L369 PolarHBondContact O-N 3.31Å; H366-L369 VanDerWaalsContact O-N 3.13Å; N367-L369 VanDerWaalsContact C-N 3.31Å; N367-L369 PolarHBondContact O-N 3.02Å; L369-V371 VanDerWaalsContact C-N 3.3Å; L369-V371 PolarHBondContact O-N 3.22Å; L369-L372 PolarHBondContact O-N 3Å; L369-V373 HydrophobicContact CD2-CG2 4Å; L369-V373 HydrophobicContact CG-CG2 4.37Å; L369-V373 WeakPolarHBondContact O-CG2 3.41Å; L369-V373 PolarHBondContact O-N 2.84Å; L369-M377 HydrophobicContact CD2-CE 3.6Å; L369-H392 HydrophobicContact CD1-CB 4.44Å; L369-H392 WeakPolarHBondContact CD1-ND1 3.44Å; L369-H392 HydrophobicContact CD2-CB 4.22Å
370	H	97.3	Very high	92.5	Very high	17 Å²	17	39.8 Å²	39.8	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-55.8	-45.3	174.6	-77.3	-77.9	0	0	0	112	H366 N367 D374 M377 F389 H392 H393	H366-H370 AromaticContact CD2-CD2 3.95Å; H366-H370 AromaticContact CD2-NE2 3.81Å; H366-H370 AromaticContact CE1-CD2 3.63Å; H366-H370 AromaticContact CE1-NE2 3.72Å; H366-H370 AromaticContact NE2-CD2 3.56Å; H366-H370 AromaticContact NE2-NE2 3.24Å; H366-H370 PolarHBondContact NE2-NE2 2.62Å; N367-H370 PolarHBondContact O-N 2.93Å; H370-D374 PolarHBondContact O-N 3.47Å; H370-M377 WeakPolarHBondContact CB-O 3.27Å; H370-M377 VanDerWaalsContact CE1-CE 3.44Å; H370-M377 WeakPolarHBondContact CE1-CE 3.42Å; H370-M377 PolarHBondContact ND1-O 2.92Å; H370-F389 AromaticContact CE1-CD2 3.87Å; H370-F389 AromaticContact CE1-CE2 3.98Å; H370-H392 AromaticContact NE2-CD2 3.65Å; H370-H392 AromaticContact NE2-NE2 3.93Å; H370-H393 AromaticContact NE2-NE2 3.63Å
371	V	95.5	Very high	93	Very high	65 Å²	65	34.6 Å²	34.6	39%	0.394	19%	0.188	S	C	.	.	H	α-helix	trans	-65.2	-39.5	177.1	171.4	0	0	0	0	112.4	K312 R363 N367 K368 L369	K312-V371 WeakPolarHBondContact CD-O 3.44Å; R363-V371 HydrophobicContact CB-CG2 3.95Å; R363-V371 HydrophobicContact CG-CG2 4.02Å; N367-V371 WeakPolarHBondContact O-CG2 3.4Å; N367-V371 PolarHBondContact O-N 3.17Å; K368-V371 PolarHBondContact O-N 3.49Å; L369-V371 VanDerWaalsContact C-N 3.3Å; L369-V371 PolarHBondContact O-N 3.22Å
372	L	96.1	Very high	93.6	Very high	21 Å²	21	27.9 Å²	27.9	11%	0.11	15%	0.152	C	C	.	.	H	α-helix	trans	-72.1	-40.7	-178.7	-71.6	174.1	0	0	0	112.4	F311 K312 L316 K368 L369	F311-L372 CarbonylContact C-O 3.57Å; F311-L372 WeakPolarHBondContact CA-O 3.03Å; F311-L372 PolarHBondContact N-O 3.15Å; K312-L372 HydrophobicContact CB-CD2 4.43Å; K312-L372 PolarHBondContact N-O 2.9Å; K312-L372 WeakPolarHBondContact O-CD2 3.45Å; L316-L372 HydrophobicContact CD2-CD1 4.03Å; L316-L372 HydrophobicContact CG-CD1 4.24Å; K368-L372 HydrophobicContact CG-CD1 4.12Å; K368-L372 HydrophobicContact CG-CG 4.46Å; K368-L372 WeakPolarHBondContact O-CB 3.3Å; K368-L372 VanDerWaalsContact O-CG 3.25Å; K368-L372 WeakPolarHBondContact O-CG 3.46Å; K368-L372 PolarHBondContact O-N 3.3Å; L369-L372 PolarHBondContact O-N 3Å
373	V	96.9	Very high	94.1	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-73.6	-43.7	177.9	-178.2	0	0	0	0	110.4	R309 E310 F311 L369 M377 L388	R309-V373 HydrophobicContact CB-CG1 4.02Å; R309-V373 HydrophobicContact CG-CG1 3.8Å; E310-V373 PolarHBondContact N-O 3.25Å; F311-V373 HydrophobicContact CE1-CG1 4.36Å; F311-V373 PolarHBondContact N-O 3.16Å; L369-V373 HydrophobicContact CD2-CG2 4Å; L369-V373 HydrophobicContact CG-CG2 4.37Å; L369-V373 WeakPolarHBondContact O-CG2 3.41Å; L369-V373 PolarHBondContact O-N 2.84Å; V373-M377 HydrophobicContact CB-CB 3.79Å; V373-M377 HydrophobicContact CB-CG 4.18Å; V373-M377 HydrophobicContact CG1-CB 3.68Å; V373-M377 HydrophobicContact CG1-CG 3.74Å; V373-L388 HydrophobicContact CB-CD2 4.42Å; V373-L388 HydrophobicContact CG1-CD2 4Å; V373-L388 HydrophobicContact CG2-CD2 3.59Å
374	D	94.8	Very high	94.4	Very high	33 Å²	33	19.3 Å²	19.3	18%	0.176	11%	0.112	C	C	.	.			trans	54	-160	-179.2	-156	-6.4	0	0	0	112.3	E310 K312 H370 S376 M377 C378	E310-D374 HydrophobicContact CB-CB 4.02Å; E310-D374 HydrophobicContact CG-CB 4.33Å; K312-D374 WeakPolarHBondContact CE-OD2 3.34Å; K312-D374 IonicContact NZ-OD2 3.41Å; K312-D374 PolarHBondContact NZ-OD2 2.64Å; H370-D374 PolarHBondContact O-N 3.47Å; D374-S376 PolarHBondContact O-N 3.25Å; D374-M377 WeakPolarHBondContact O-CB 3.47Å; D374-M377 PolarHBondContact O-N 3.37Å; D374-C378 WeakPolarHBondContact OD1-CB 3.04Å
375	G	94.3	Very high	94.6	Very high	17 Å²	17	17.6 Å²	17.6	18%	0.175	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	60.5	-129.3	-176	0	0	0	0	0	109.5	M377 C378	G375-M377 PolarHBondContact O-N 3.31Å; G375-M377 VanDerWaalsContact O-N 3.15Å; G375-C378 WeakPolarHBondContact O-CB 3.38Å; G375-C378 PolarHBondContact O-N 3.18Å; G375-C378 PolarHBondContact O-SG 3.08Å
376	S	95.4	Very high	94.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-54.9	-35.7	175.5	-57.9	0	0	0	0	112.8	E284 I307 T308 D374 C378 T382 A383	E284-S376 VanDerWaalsContact CD-OG 3.27Å; E284-S376 VanDerWaalsContact OE1-CA 3.28Å; E284-S376 WeakPolarHBondContact OE1-CA 3.48Å; E284-S376 WeakPolarHBondContact OE1-CB 3.4Å; E284-S376 PolarHBondContact OE1-OG 3.12Å; I307-S376 WeakPolarHBondContact CA-OG 3.49Å; I307-S376 WeakPolarHBondContact CG2-OG 3.21Å; T308-S376 PolarHBondContact N-OG 2.92Å; T308-S376 PolarHBondContact O-N 2.88Å; T308-S376 PolarHBondContact O-OG 3.33Å; D374-S376 PolarHBondContact O-N 3.25Å; S376-C378 VanDerWaalsContact C-N 3.31Å; S376-C378 PolarHBondContact O-N 2.96Å; S376-T382 CarbonylContact O-C 3.47Å; S376-T382 VanDerWaalsContact O-C 3.23Å; S376-T382 PolarHBondContact O-OG1 2.89Å; S376-A383 WeakPolarHBondContact O-CA 3.42Å; S376-A383 PolarHBondContact O-N 3.24Å
377	M	96.2	Very high	94.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-77	-7.2	-179.1	-79.9	-68.9	-69.2	0	0	114.3	L369 H370 V373 D374 G375 C379 A383 D386 F389	L369-M377 HydrophobicContact CD2-CE 3.6Å; H370-M377 WeakPolarHBondContact CB-O 3.27Å; H370-M377 VanDerWaalsContact CE1-CE 3.44Å; H370-M377 WeakPolarHBondContact CE1-CE 3.42Å; H370-M377 PolarHBondContact ND1-O 2.92Å; V373-M377 HydrophobicContact CB-CB 3.79Å; V373-M377 HydrophobicContact CB-CG 4.18Å; V373-M377 HydrophobicContact CG1-CB 3.68Å; V373-M377 HydrophobicContact CG1-CG 3.74Å; D374-M377 WeakPolarHBondContact O-CB 3.47Å; D374-M377 PolarHBondContact O-N 3.37Å; G375-M377 PolarHBondContact O-N 3.31Å; G375-M377 VanDerWaalsContact O-N 3.15Å; M377-C379 PolarHBondContact O-N 3.01Å; M377-A383 HydrophobicContact SD-CB 3.99Å; M377-D386 HydrophobicContact CG-CB 3.82Å; M377-D386 HydrophobicContact SD-CB 3.92Å; M377-F389 HydrophobicContact CE-CB 4.47Å; M377-F389 HydrophobicContact CE-CD2 4.49Å; M377-F389 HydrophobicContact SD-CB 3.76Å; M377-F389 HydrophobicContact SD-CD2 4.12Å; M377-F389 HydrophobicContact SD-CG 4.46Å
378	C	92.1	Very high	94.9	Very high	55 Å²	55	16.8 Å²	16.8	37%	0.372	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-63.6	-33.2	-178.6	69.2	0	0	0	0	113.5	D374 G375 S376	D374-C378 WeakPolarHBondContact OD1-CB 3.04Å; G375-C378 WeakPolarHBondContact O-CB 3.38Å; G375-C378 PolarHBondContact O-N 3.18Å; G375-C378 PolarHBondContact O-SG 3.08Å; S376-C378 VanDerWaalsContact C-N 3.31Å; S376-C378 PolarHBondContact O-N 2.96Å
379	C	88.6	Confident	95	Very high	41 Å²	41	14.8 Å²	14.8	28%	0.277	9%	0.093	S	C	.	.	S	Bend	trans	-132.3	139.5	-149.7	-59.7	0	0	0	0	110.5	M377 G381 T382 A383	M377-C379 PolarHBondContact O-N 3.01Å; C379-G381 PolarHBondContact O-N 3.39Å; C379-G381 VanDerWaalsContact O-N 3.16Å; C379-T382 PolarHBondContact O-N 3.06Å; C379-T382 VanDerWaalsContact O-N 3.13Å; C379-A383 VanDerWaalsContact O-CB 3.24Å; C379-A383 WeakPolarHBondContact O-CB 3.44Å; C379-A383 PolarHBondContact O-N 3.43Å
380	T	86.1	Confident	95.1	Very high	44 Å²	44	15 Å²	15	27%	0.27	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.3	-175.8	58.7	0	0	0	0	112.4	H181 S185	H181-T380 PolarHBondContact CE1-O 3.21Å; H181-T380 VanDerWaalsContact CE1-O 3.25Å; H181-T380 PolarHBondContact ND1-O 3.37Å; S185-T380 VanDerWaalsContact CB-OG1 3.3Å; S185-T380 WeakPolarHBondContact CB-OG1 3.26Å; S185-T380 WeakPolarHBondContact OG-CB 3.33Å; S185-T380 PolarHBondContact OG-OG1 2.77Å
381	G	86.7	Confident	95.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-27.2	176	0	0	0	0	0	114.9	E288 C379	E288-G381 WeakPolarHBondContact OE1-CA 3.38Å; E288-G381 PolarHBondContact OE1-N 2.75Å; C379-G381 PolarHBondContact O-N 3.39Å; C379-G381 VanDerWaalsContact O-N 3.16Å
382	T	92.7	Very high	95.3	Very high	7 Å²	7	11.1 Å²	11.1	4%	0.043	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-19.3	-166.3	53.2	0	0	0	0	113.8	E284 E288 S376 C379 S384 N385	E284-T382 HydrophobicContact CG-CG2 4.41Å; E288-T382 HydrophobicContact CG-CG2 4.4Å; S376-T382 CarbonylContact O-C 3.47Å; S376-T382 VanDerWaalsContact O-C 3.23Å; S376-T382 PolarHBondContact O-OG1 2.89Å; C379-T382 PolarHBondContact O-N 3.06Å; C379-T382 VanDerWaalsContact O-N 3.13Å; T382-S384 VanDerWaalsContact C-N 3.27Å; T382-S384 PolarHBondContact O-N 2.88Å; T382-N385 VanDerWaalsContact O-CB 3.28Å; T382-N385 WeakPolarHBondContact O-CB 3.43Å; T382-N385 PolarHBondContact O-N 2.85Å; T382-N385 PolarHBondContact O-ND2 2.96Å
383	A	96.5	Very high	95.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-58.1	-39.1	-170.3	0	0	0	0	0	113.1	S376 M377 C379 N385 D386 F389	S376-A383 WeakPolarHBondContact O-CA 3.42Å; S376-A383 PolarHBondContact O-N 3.24Å; M377-A383 HydrophobicContact SD-CB 3.99Å; C379-A383 VanDerWaalsContact O-CB 3.24Å; C379-A383 WeakPolarHBondContact O-CB 3.44Å; C379-A383 PolarHBondContact O-N 3.43Å; A383-N385 PolarHBondContact O-N 3.49Å; A383-N385 VanDerWaalsContact O-N 3.11Å; A383-D386 WeakPolarHBondContact O-CB 3.39Å; A383-D386 PolarHBondContact O-N 2.99Å; A383-F389 VanDerWaalsContact C-CD2 3.49Å; A383-F389 HydrophobicContact CB-CD2 3.56Å; A383-F389 HydrophobicContact CB-CE2 3.86Å; A383-F389 VanDerWaalsContact O-CB 3.27Å; A383-F389 WeakPolarHBondContact O-CB 3.32Å
384	S	97.3	Very high	95.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-62.1	-16.9	178.4	57.9	0	0	0	0	115	Q174 T178 Y218 W222 T382 D386	Q174-S384 PolarHBondContact NE2-O 2.83Å; T178-S384 WeakPolarHBondContact CA-OG 3.31Å; T178-S384 WeakPolarHBondContact CB-OG 3.35Å; T178-S384 WeakPolarHBondContact CG2-OG 3.33Å; T178-S384 PolarHBondContact OG1-OG 2.95Å; Y218-S384 VanDerWaalsContact OH-CB 3.26Å; Y218-S384 WeakPolarHBondContact OH-CB 3.38Å; W222-S384 WeakPolarHBondContact CH2-O 3.43Å; T382-S384 VanDerWaalsContact C-N 3.27Å; T382-S384 PolarHBondContact O-N 2.88Å; S384-D386 VanDerWaalsContact C-N 3.25Å; S384-D386 PolarHBondContact O-N 3.39Å
385	N	97.6	Very high	95.7	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-64.4	-32.4	171.5	-67.3	-65.7	0	0	0	111.8	T178 T283 F285 I307 T382 A383 P387	T178-N385 PolarHBondContact OG1-OD1 3.18Å; T283-N385 PolarHBondContact O-OD1 2.92Å; F285-N385 WeakPolarHBondContact CB-OD1 3.44Å; F285-N385 WeakPolarHBondContact CD2-OD1 3.4Å; F285-N385 PolarHBondContact N-ND2 3.11Å; F285-N385 PolarHBondContact N-OD1 3.47Å; F285-N385 PolarHBondContact O-ND2 3.42Å; I307-N385 HydrophobicContact CD1-CB 4.4Å; I307-N385 WeakPolarHBondContact CD1-O 3.39Å; I307-N385 HydrophobicContact CG1-CB 4.25Å; T382-N385 VanDerWaalsContact O-CB 3.28Å; T382-N385 WeakPolarHBondContact O-CB 3.43Å; T382-N385 PolarHBondContact O-N 2.85Å; T382-N385 PolarHBondContact O-ND2 2.96Å; A383-N385 PolarHBondContact O-N 3.49Å; A383-N385 VanDerWaalsContact O-N 3.11Å; N385-P387 WeakPolarHBondContact O-CD 3.02Å
386	D	98.1	Very high	95.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	-76.4	124	-178.7	-165.1	-33.7	0	0	0	111.2	I307 R309 M377 A383 S384 L388 F389	I307-D386 HydrophobicContact CG2-CB 4.19Å; R309-D386 IonicContact CZ-OD1 2.79Å; R309-D386 IonicContact CZ-OD2 3.41Å; R309-D386 IonicContact NE-OD1 2.62Å; R309-D386 IonicContact NE-OD2 3.89Å; R309-D386 PolarHBondContact NE-OD2 3.34Å; R309-D386 IonicContact NH2-OD1 3.14Å; R309-D386 PolarHBondContact NH2-OD1 3.34Å; R309-D386 IonicContact NH2-OD2 3.64Å; R309-D386 PolarHBondContact NH2-OD2 2.92Å; M377-D386 HydrophobicContact CG-CB 3.82Å; M377-D386 HydrophobicContact SD-CB 3.92Å; A383-D386 WeakPolarHBondContact O-CB 3.39Å; A383-D386 PolarHBondContact O-N 2.99Å; S384-D386 VanDerWaalsContact C-N 3.25Å; S384-D386 PolarHBondContact O-N 3.39Å; D386-L388 PolarHBondContact O-N 3.41Å; D386-L388 WeakPolarHBondContact OD1-CB 3.2Å; D386-L388 PolarHBondContact OD1-N 3.38Å; D386-F389 WeakPolarHBondContact O-CB 3.16Å; D386-F389 PolarHBondContact O-N 2.87Å
387	P	98.2	Very high	96.1	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.019	6%	0.058	C	C	.	.	H	α-helix	trans	-55.3	-21.8	173.2	-25.5	34.8	0	0	0	114	I139 I260 F279 L282 N385 F389 I390	I139-P387 HydrophobicContact CG2-CB 4.19Å; I139-P387 HydrophobicContact CG2-CG 3.79Å; I260-P387 HydrophobicContact CG2-CB 4.21Å; F279-P387 HydrophobicContact CB-CG 4.5Å; F279-P387 HydrophobicContact CD1-CG 4.13Å; F279-P387 HydrophobicContact CD2-CG 4.22Å; F279-P387 HydrophobicContact CE1-CG 4.33Å; F279-P387 HydrophobicContact CE2-CB 4.47Å; F279-P387 HydrophobicContact CE2-CG 4.42Å; F279-P387 HydrophobicContact CG-CG 4.04Å; F279-P387 HydrophobicContact CZ-CG 4.42Å; L282-P387 HydrophobicContact CD1-CG 3.64Å; N385-P387 WeakPolarHBondContact O-CD 3.02Å; P387-F389 VanDerWaalsContact C-N 3.26Å; P387-F389 PolarHBondContact O-N 3.45Å; P387-I390 WeakPolarHBondContact O-CG2 3.25Å
388	L	98.5	Very high	96.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.2	-32.4	172.7	-172.5	58.8	0	0	0	112.6	W244 I254 I260 V373 D386 I390 L391 H392	W244-L388 HydrophobicContact CD2-CD1 4.34Å; W244-L388 HydrophobicContact CE3-CD1 3.51Å; W244-L388 HydrophobicContact CE3-CG 4.5Å; W244-L388 HydrophobicContact CZ3-CD1 3.64Å; W244-L388 HydrophobicContact CZ3-CD2 4.38Å; W244-L388 HydrophobicContact CZ3-CG 4.33Å; I254-L388 HydrophobicContact CD1-CD1 3.73Å; I254-L388 HydrophobicContact CG1-CD1 4.29Å; I260-L388 HydrophobicContact CD1-CB 4.47Å; I260-L388 HydrophobicContact CD1-CD1 4.22Å; I260-L388 HydrophobicContact CG1-CD1 4.24Å; V373-L388 HydrophobicContact CB-CD2 4.42Å; V373-L388 HydrophobicContact CG1-CD2 4Å; V373-L388 HydrophobicContact CG2-CD2 3.59Å; D386-L388 PolarHBondContact O-N 3.41Å; D386-L388 WeakPolarHBondContact OD1-CB 3.2Å; D386-L388 PolarHBondContact OD1-N 3.38Å; L388-I390 PolarHBondContact O-N 3.29Å; L388-L391 PolarHBondContact O-N 2.98Å; L388-H392 WeakPolarHBondContact O-CB 3.39Å; L388-H392 PolarHBondContact O-N 2.72Å
389	F	98.7	Very high	96.5	Very high	1 Å²	1	6.7 Å²	6.7	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-56.9	-50.6	-179.4	-179.6	-84.8	0	0	0	112	H181 Y218 W222 H370 M377 A383 D386 P387 L391 H392 H393	H181-F389 AromaticContact CE1-CE2 3.5Å; H181-F389 VanDerWaalsContact CE1-CE2 3.5Å; H181-F389 WeakPolarHBondContact CE1-CE2 3.45Å; H181-F389 AromaticContact CE1-CZ 3.6Å; H181-F389 AromaticContact NE2-CE2 3.88Å; H181-F389 AromaticContact NE2-CZ 3.58Å; Y218-F389 AromaticContact CE1-CE1 3.82Å; Y218-F389 HydrophobicContact CE1-CE1 3.82Å; Y218-F389 HydrophobicContact CE1-CZ 4.47Å; W222-F389 HydrophobicContact CH2-CD1 4.27Å; W222-F389 AromaticContact CZ3-CD1 3.72Å; W222-F389 HydrophobicContact CZ3-CD1 3.72Å; W222-F389 HydrophobicContact CZ3-CE1 4.08Å; H370-F389 AromaticContact CE1-CD2 3.87Å; H370-F389 AromaticContact CE1-CE2 3.98Å; M377-F389 HydrophobicContact CE-CB 4.47Å; M377-F389 HydrophobicContact CE-CD2 4.49Å; M377-F389 HydrophobicContact SD-CB 3.76Å; M377-F389 HydrophobicContact SD-CD2 4.12Å; M377-F389 HydrophobicContact SD-CG 4.46Å; A383-F389 VanDerWaalsContact C-CD2 3.49Å; A383-F389 HydrophobicContact CB-CD2 3.56Å; A383-F389 HydrophobicContact CB-CE2 3.86Å; A383-F389 VanDerWaalsContact O-CB 3.27Å; A383-F389 WeakPolarHBondContact O-CB 3.32Å; D386-F389 WeakPolarHBondContact O-CB 3.16Å; D386-F389 PolarHBondContact O-N 2.87Å; P387-F389 VanDerWaalsContact C-N 3.26Å; P387-F389 PolarHBondContact O-N 3.45Å; F389-L391 VanDerWaalsContact C-N 3.28Å; F389-L391 PolarHBondContact O-N 3.24Å; F389-H392 WeakPolarHBondContact O-CB 3.22Å; F389-H392 PolarHBondContact O-N 2.94Å; F389-H393 AromaticContact CD1-CD2 3.71Å; F389-H393 AromaticContact CD2-CD2 3.68Å; F389-H393 AromaticContact CD2-NE2 3.78Å; F389-H393 HydrophobicContact CE1-CB 4.4Å; F389-H393 AromaticContact CE1-CD2 3.36Å; F389-H393 WeakPolarHBondContact CE1-CD2 3.31Å; F389-H393 AromaticContact CE1-CG 3.88Å; F389-H393 AromaticContact CE1-NE2 3.83Å; F389-H393 AromaticContact CE2-CD2 3.37Å; F389-H393 WeakPolarHBondContact CE2-CD2 3.41Å; F389-H393 AromaticContact CE2-NE2 3.1Å; F389-H393 WeakPolarHBondContact CE2-NE2 3.5Å; F389-H393 AromaticContact CG-CD2 3.86Å; F389-H393 AromaticContact CZ-CD2 3.21Å; F389-H393 WeakPolarHBondContact CZ-CD2 3.2Å; F389-H393 AromaticContact CZ-CE1 3.83Å; F389-H393 AromaticContact CZ-CG 3.93Å; F389-H393 AromaticContact CZ-NE2 3.14Å; F389-H393 WeakPolarHBondContact CZ-NE2 3.29Å; F389-H393 PolarHBondContact O-CD2 3.13Å; F389-H393 PolarHBondContact O-N 2.93Å
390	I	98.6	Very high	97	Very high	4 Å²	4	4.8 Å²	4.8	2%	0.021	3%	0.027	C	C	.	.	H	α-helix	trans	-67.5	-33.8	-176	-160.7	179	0	0	0	111.4	F135 W222 M226 T241 P387 L388 T394	F135-I390 HydrophobicContact CZ-CG2 4.33Å; W222-I390 HydrophobicContact CD2-CD1 3.48Å; W222-I390 VanDerWaalsContact CD2-CD1 3.48Å; W222-I390 HydrophobicContact CD2-CG1 4.18Å; W222-I390 HydrophobicContact CE3-CB 4.21Å; W222-I390 HydrophobicContact CE3-CD1 3.67Å; W222-I390 HydrophobicContact CE3-CG1 3.82Å; W222-I390 HydrophobicContact CG-CD1 3.95Å; W222-I390 HydrophobicContact CH2-CB 3.85Å; W222-I390 HydrophobicContact CH2-CD1 4.32Å; W222-I390 HydrophobicContact CH2-CG1 4.35Å; W222-I390 HydrophobicContact CZ2-CB 4.33Å; W222-I390 HydrophobicContact CZ2-CD1 4.15Å; W222-I390 HydrophobicContact CZ3-CB 3.8Å; W222-I390 HydrophobicContact CZ3-CD1 4.1Å; W222-I390 HydrophobicContact CZ3-CG1 3.94Å; M226-I390 HydrophobicContact CE-CD1 3.28Å; M226-I390 HydrophobicContact SD-CD1 4.46Å; T241-I390 HydrophobicContact CG2-CD1 3.57Å; T241-I390 HydrophobicContact CG2-CG1 4.36Å; P387-I390 WeakPolarHBondContact O-CG2 3.25Å; L388-I390 PolarHBondContact O-N 3.29Å; I390-T394 WeakPolarHBondContact O-CB 3.44Å; I390-T394 PolarHBondContact O-N 3.41Å; I390-T394 PolarHBondContact O-OG1 3.49Å
391	L	98.8	Very high	97.6	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-65.5	-42.5	174.2	-55.9	179.2	0	0	0	111.3	I124 F135 P242 W244 I254 I260 L388 F389 F395	I124-L391 HydrophobicContact CD1-CD1 3.53Å; I124-L391 HydrophobicContact CD1-CD2 4Å; I124-L391 HydrophobicContact CD1-CG 4.44Å; F135-L391 HydrophobicContact CE1-CD2 4.27Å; F135-L391 HydrophobicContact CE2-CD2 4.48Å; F135-L391 HydrophobicContact CZ-CD2 3.82Å; F135-L391 HydrophobicContact CZ-CG 4.47Å; P242-L391 HydrophobicContact CB-CD2 4.12Å; P242-L391 HydrophobicContact CG-CD2 3.64Å; P242-L391 VanDerWaalsContact O-CD2 3.32Å; P242-L391 WeakPolarHBondContact O-CD2 3.35Å; W244-L391 HydrophobicContact CB-CB 3.9Å; W244-L391 PolarHBondContact N-O 3.22Å; I254-L391 HydrophobicContact CD1-CD1 3.52Å; I260-L391 HydrophobicContact CG2-CD1 3.62Å; L388-L391 PolarHBondContact O-N 2.98Å; F389-L391 VanDerWaalsContact C-N 3.28Å; F389-L391 PolarHBondContact O-N 3.24Å; L391-F395 PolarHBondContact O-N 2.69Å
392	H	98.7	Very high	98.1	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-62.2	-54.6	176.9	176.9	61	0	0	0	111.3	W246 H366 L369 H370 L388 F389 T394 F395 I396	W246-H392 AromaticContact CD1-ND1 3.67Å; W246-H392 AromaticContact CE2-CE1 3.95Å; W246-H392 AromaticContact CE2-ND1 3.93Å; W246-H392 AromaticContact NE1-CE1 3.47Å; W246-H392 PolarHBondContact NE1-CE1 2.73Å; W246-H392 AromaticContact NE1-ND1 3.02Å; W246-H392 PolarHBondContact NE1-ND1 3.15Å; H366-H392 AromaticContact CD2-CD2 3.74Å; H366-H392 AromaticContact CD2-NE2 3.11Å; H366-H392 PolarHBondContact CD2-NE2 2.83Å; H366-H392 AromaticContact CG-NE2 3.72Å; L369-H392 HydrophobicContact CD1-CB 4.44Å; L369-H392 WeakPolarHBondContact CD1-ND1 3.44Å; L369-H392 HydrophobicContact CD2-CB 4.22Å; H370-H392 AromaticContact NE2-CD2 3.65Å; H370-H392 AromaticContact NE2-NE2 3.93Å; L388-H392 WeakPolarHBondContact O-CB 3.39Å; L388-H392 PolarHBondContact O-N 2.72Å; F389-H392 WeakPolarHBondContact O-CB 3.22Å; F389-H392 PolarHBondContact O-N 2.94Å; H392-T394 VanDerWaalsContact C-N 3.32Å; H392-T394 PolarHBondContact O-N 2.83Å; H392-F395 WeakPolarHBondContact O-CA 3.35Å; H392-F395 WeakPolarHBondContact O-CB 3.4Å; H392-F395 PolarHBondContact O-N 3.2Å; H392-I396 PolarHBondContact O-N 2.91Å
393	H	98.8	Very high	98.4	Very high	16 Å²	16	2.7 Å²	2.7	7%	0.074	1%	0.014	C	C	.	.	H	α-helix	trans	-67.6	-30.8	-178.9	-81.7	-90.7	0	0	0	113.1	H215 H366 H370 F389 F395 I396 D397	H215-H393 AromaticContact CD2-CE1 3.34Å; H215-H393 PolarHBondContact CD2-CE1 3.19Å; H215-H393 AromaticContact CD2-ND1 3.31Å; H215-H393 PolarHBondContact CD2-ND1 2.99Å; H215-H393 VanDerWaalsContact CD2-ND1 3.31Å; H215-H393 AromaticContact CG-CE1 3.96Å; H215-H393 AromaticContact CG-ND1 3.72Å; H215-H393 AromaticContact NE2-CE1 3.54Å; H366-H393 AromaticContact CD2-CE1 3.75Å; H366-H393 AromaticContact CD2-NE2 3.99Å; H366-H393 AromaticContact NE2-CE1 3.15Å; H366-H393 PolarHBondContact NE2-CE1 3.11Å; H366-H393 AromaticContact NE2-NE2 3.37Å; H366-H393 PolarHBondContact NE2-NE2 3.47Å; H370-H393 AromaticContact NE2-NE2 3.63Å; F389-H393 AromaticContact CD1-CD2 3.71Å; F389-H393 AromaticContact CD2-CD2 3.68Å; F389-H393 AromaticContact CD2-NE2 3.78Å; F389-H393 HydrophobicContact CE1-CB 4.4Å; F389-H393 AromaticContact CE1-CD2 3.36Å; F389-H393 WeakPolarHBondContact CE1-CD2 3.31Å; F389-H393 AromaticContact CE1-CG 3.88Å; F389-H393 AromaticContact CE1-NE2 3.83Å; F389-H393 AromaticContact CE2-CD2 3.37Å; F389-H393 WeakPolarHBondContact CE2-CD2 3.41Å; F389-H393 AromaticContact CE2-NE2 3.1Å; F389-H393 WeakPolarHBondContact CE2-NE2 3.5Å; F389-H393 AromaticContact CG-CD2 3.86Å; F389-H393 AromaticContact CZ-CD2 3.21Å; F389-H393 WeakPolarHBondContact CZ-CD2 3.2Å; F389-H393 AromaticContact CZ-CE1 3.83Å; F389-H393 AromaticContact CZ-CG 3.93Å; F389-H393 AromaticContact CZ-NE2 3.14Å; F389-H393 WeakPolarHBondContact CZ-NE2 3.29Å; F389-H393 PolarHBondContact O-CD2 3.13Å; F389-H393 PolarHBondContact O-N 2.93Å; H393-F395 PolarHBondContact O-N 3.32Å; H393-I396 PolarHBondContact O-N 3.01Å; H393-D397 WeakPolarHBondContact O-CB 3.47Å; H393-D397 PolarHBondContact O-N 2.78Å
394	T	98.8	Very high	98.5	Very high	6 Å²	6	2.8 Å²	2.8	4%	0.037	1%	0.014	C	C	.	.	H	α-helix	trans	-63.8	-31.2	171.4	-57.1	0	0	0	0	111.3	R121 T241 I390 H392 K398 Y452	R121-T394 HydrophobicContact CB-CG2 4.33Å; R121-T394 VanDerWaalsContact CD-CG2 3.47Å; R121-T394 HydrophobicContact CG-CG2 4.22Å; T241-T394 PolarHBondContact OG1-OG1 2.77Å; I390-T394 WeakPolarHBondContact O-CB 3.44Å; I390-T394 PolarHBondContact O-N 3.41Å; I390-T394 PolarHBondContact O-OG1 3.49Å; H392-T394 VanDerWaalsContact C-N 3.32Å; H392-T394 PolarHBondContact O-N 2.83Å; T394-K398 PolarHBondContact O-N 2.69Å; T394-Y452 HydrophobicContact CG2-CE1 4.28Å; T394-Y452 PolarHBondContact O-OH 3.5Å
395	F	98.8	Very high	98.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-78.7	-38.4	174	-169.7	-117	0	0	0	112.9	Y243 W244 D245 W246 T247 L391 H392 H393 D397 K398 I399 F457	Y243-F395 AromaticContact CD2-CD2 3.58Å; Y243-F395 HydrophobicContact CD2-CD2 3.58Å; Y243-F395 HydrophobicContact CD2-CE2 4.25Å; Y243-F395 HydrophobicContact CD2-CG 4.46Å; Y243-F395 HydrophobicContact CE2-CD2 4.13Å; Y243-F395 HydrophobicContact CE2-CE2 4.37Å; Y243-F395 HydrophobicContact CG-CD2 4.35Å; W244-F395 WeakPolarHBondContact O-CB 3.06Å; W244-F395 WeakPolarHBondContact O-CG 3.38Å; D245-F395 HydrophobicContact CB-CD2 4.17Å; D245-F395 HydrophobicContact CB-CE2 3.58Å; D245-F395 HydrophobicContact CB-CZ 3.83Å; D245-F395 WeakPolarHBondContact OD1-CZ 3.46Å; W246-F395 AromaticContact CD1-CD1 3.83Å; W246-F395 HydrophobicContact CD2-CD1 4.19Å; W246-F395 HydrophobicContact CD2-CE1 4.14Å; W246-F395 AromaticContact CE2-CD1 3.64Å; W246-F395 AromaticContact CE2-CE1 3.91Å; W246-F395 HydrophobicContact CG-CD1 4.33Å; W246-F395 HydrophobicContact CG-CE1 4.49Å; W246-F395 HydrophobicContact CZ2-CD1 4.03Å; W246-F395 HydrophobicContact CZ2-CE1 4.16Å; W246-F395 AromaticContact NE1-CD1 3.4Å; T247-F395 WeakPolarHBondContact OG1-CE1 3.17Å; T247-F395 VanDerWaalsContact OG1-CZ 3.32Å; T247-F395 WeakPolarHBondContact OG1-CZ 3.4Å; L391-F395 PolarHBondContact O-N 2.69Å; H392-F395 WeakPolarHBondContact O-CA 3.35Å; H392-F395 WeakPolarHBondContact O-CB 3.4Å; H392-F395 PolarHBondContact O-N 3.2Å; H393-F395 PolarHBondContact O-N 3.32Å; F395-D397 VanDerWaalsContact C-N 3.25Å; F395-D397 PolarHBondContact O-N 3.06Å; F395-K398 HydrophobicContact CD2-CB 4.27Å; F395-K398 HydrophobicContact CD2-CD 3.96Å; F395-K398 HydrophobicContact CE2-CD 3.98Å; F395-K398 WeakPolarHBondContact O-CA 3.41Å; F395-K398 WeakPolarHBondContact O-CB 2.98Å; F395-K398 PolarHBondContact O-N 3.44Å; F395-I399 HydrophobicContact CD1-CD1 4.01Å; F395-I399 HydrophobicContact CE1-CD1 3.85Å; F395-I399 HydrophobicContact CE1-CG1 4.49Å; F395-I399 HydrophobicContact CZ-CD1 4.41Å; F395-I399 WeakPolarHBondContact O-CG1 3.44Å; F395-I399 PolarHBondContact O-N 2.85Å; F395-I399 VanDerWaalsContact O-N 3.08Å; F395-F457 AromaticContact CE2-CD1 3.69Å; F395-F457 HydrophobicContact CE2-CD1 3.69Å; F395-F457 HydrophobicContact CE2-CE1 4.11Å; F395-F457 AromaticContact CZ-CD1 3.6Å; F395-F457 HydrophobicContact CZ-CD1 3.6Å; F395-F457 HydrophobicContact CZ-CE1 4.34Å
396	I	98.8	Very high	98.5	Very high	5 Å²	5	5.6 Å²	5.6	3%	0.026	3%	0.029	C	C	.	.	H	α-helix	trans	-57.4	-42.3	170.4	-64.2	-56.1	0	0	0	110.9	F211 W246 L349 F365 H366 H392 H393 K398 I399 F400	F211-I396 HydrophobicContact CE1-CG2 4.04Å; F211-I396 HydrophobicContact CZ-CG2 4.2Å; W246-I396 HydrophobicContact CZ2-CD1 3.95Å; L349-I396 HydrophobicContact CD1-CG2 4.12Å; L349-I396 HydrophobicContact CD2-CG2 4Å; L349-I396 HydrophobicContact CG-CG2 4.02Å; F365-I396 HydrophobicContact CD1-CD1 4.49Å; H366-I396 HydrophobicContact CB-CD1 3.77Å; H366-I396 HydrophobicContact CB-CG1 4.25Å; H392-I396 PolarHBondContact O-N 2.91Å; H393-I396 PolarHBondContact O-N 3.01Å; I396-K398 VanDerWaalsContact C-N 3.28Å; I396-K398 PolarHBondContact O-N 3.04Å; I396-I399 HydrophobicContact CD1-CD1 4.44Å; I396-I399 PolarHBondContact O-N 3.34Å; I396-F400 PolarHBondContact O-N 2.93Å
397	D	98.7	Very high	98.5	Very high	12 Å²	12	9.4 Å²	9.4	6%	0.064	4%	0.044	C	C	.	.	H	α-helix	trans	-65.5	-29.7	175.2	-163.9	27.4	0	0	0	112.5	R121 R216 H393 F395 F400 E401	R121-D397 IonicContact NH1-OD2 3.79Å; R121-D397 PolarHBondContact NH1-OD2 3.5Å; R216-D397 IonicContact CZ-OD1 3.47Å; R216-D397 IonicContact NE-OD1 2.69Å; R216-D397 PolarHBondContact NE-OD1 3.05Å; R216-D397 IonicContact NE-OD2 3.16Å; R216-D397 IonicContact NH2-OD1 3.49Å; R216-D397 PolarHBondContact NH2-OD1 2.72Å; H393-D397 WeakPolarHBondContact O-CB 3.47Å; H393-D397 PolarHBondContact O-N 2.78Å; F395-D397 VanDerWaalsContact C-N 3.25Å; F395-D397 PolarHBondContact O-N 3.06Å; D397-F400 PolarHBondContact O-N 3.42Å; D397-E401 WeakPolarHBondContact O-CB 3.48Å; D397-E401 PolarHBondContact O-N 2.95Å
398	K	98.6	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.2	-40.9	172.6	-168.4	-177.1	179.5	-173.1	0	111.3	Y243 T394 F395 I396 E401 C402 Y452 N454 L456 F457 M473	Y243-K398 HydrophobicContact CD2-CD 4.41Å; Y243-K398 HydrophobicContact CE1-CD 4.4Å; Y243-K398 HydrophobicContact CE2-CD 4.11Å; Y243-K398 PolarHBondContact OH-NZ 3.19Å; T394-K398 PolarHBondContact O-N 2.69Å; F395-K398 HydrophobicContact CD2-CB 4.27Å; F395-K398 HydrophobicContact CD2-CD 3.96Å; F395-K398 HydrophobicContact CE2-CD 3.98Å; F395-K398 WeakPolarHBondContact O-CA 3.41Å; F395-K398 WeakPolarHBondContact O-CB 2.98Å; F395-K398 PolarHBondContact O-N 3.44Å; I396-K398 VanDerWaalsContact C-N 3.28Å; I396-K398 PolarHBondContact O-N 3.04Å; K398-E401 PolarHBondContact O-N 3.33Å; K398-C402 PolarHBondContact O-N 2.03Å; K398-Y452 VanDerWaalsContact CA-CZ 3.47Å; K398-Y452 WeakPolarHBondContact CA-OH 3.34Å; K398-Y452 HydrophobicContact CB-CD1 4.16Å; K398-Y452 HydrophobicContact CB-CD2 4.27Å; K398-Y452 HydrophobicContact CB-CE1 3.61Å; K398-Y452 HydrophobicContact CB-CE2 3.75Å; K398-Y452 HydrophobicContact CB-CG 4.47Å; K398-Y452 VanDerWaalsContact CB-CZ 3.4Å; K398-Y452 HydrophobicContact CD-CD1 3.8Å; K398-Y452 HydrophobicContact CD-CE1 4.08Å; K398-Y452 HydrophobicContact CD-CG 4.05Å; K398-Y452 HydrophobicContact CG-CD1 3.78Å; K398-Y452 HydrophobicContact CG-CD2 3.75Å; K398-Y452 HydrophobicContact CG-CE1 3.78Å; K398-Y452 HydrophobicContact CG-CE2 3.76Å; K398-Y452 HydrophobicContact CG-CG 3.77Å; K398-Y452 PolarHBondContact N-OH 2.68Å; K398-N454 WeakPolarHBondContact CE-O 3.32Å; K398-N454 PolarHBondContact NZ-O 2.87Å; K398-N454 PolarHBondContact NZ-OD1 3.39Å; K398-L456 PolarHBondContact NZ-O 2.82Å; K398-F457 HydrophobicContact CB-CE1 4.28Å; K398-F457 HydrophobicContact CD-CE1 3.86Å; K398-F457 HydrophobicContact CD-CZ 4.1Å; K398-F457 HydrophobicContact CG-CE1 3.77Å; K398-F457 HydrophobicContact CG-CZ 3.82Å; K398-M473 HydrophobicContact CG-CE 4.36Å; K398-M473 HydrophobicContact CG-SD 4.35Å
399	I	98.7	Very high	98.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.2	-41.8	177.8	-61.4	164.1	0	0	0	109.7	L322 L326 L349 F365 F395 I396 E401 C402 W403 F457	L322-I399 HydrophobicContact CD1-CD1 4.07Å; L322-I399 HydrophobicContact CD1-CG1 3.97Å; L322-I399 HydrophobicContact CD1-CG2 3.91Å; L326-I399 HydrophobicContact CD2-CG2 3.95Å; L326-I399 HydrophobicContact CG-CG2 4.42Å; L349-I399 HydrophobicContact CD1-CB 4.05Å; L349-I399 HydrophobicContact CD1-CG2 3.67Å; F365-I399 HydrophobicContact CE1-CD1 3.59Å; F365-I399 HydrophobicContact CE1-CG2 4.22Å; F365-I399 HydrophobicContact CZ-CD1 3.68Å; F365-I399 HydrophobicContact CZ-CG2 4.41Å; F395-I399 HydrophobicContact CD1-CD1 4.01Å; F395-I399 HydrophobicContact CE1-CD1 3.85Å; F395-I399 HydrophobicContact CE1-CG1 4.49Å; F395-I399 HydrophobicContact CZ-CD1 4.41Å; F395-I399 WeakPolarHBondContact O-CG1 3.44Å; F395-I399 PolarHBondContact O-N 2.85Å; F395-I399 VanDerWaalsContact O-N 3.08Å; I396-I399 HydrophobicContact CD1-CD1 4.44Å; I396-I399 PolarHBondContact O-N 3.34Å; I399-E401 PolarHBondContact O-N 2.98Å; I399-C402 WeakPolarHBondContact O-CB 2.97Å; I399-C402 PolarHBondContact O-N 3.4Å; I399-W403 PolarHBondContact O-N 3Å; I399-F457 HydrophobicContact CB-CE1 4.5Å; I399-F457 HydrophobicContact CG1-CD1 4.03Å; I399-F457 HydrophobicContact CG1-CE1 3.65Å
400	F	98.7	Very high	98.2	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-40.8	173.6	-178	-147.1	0	0	0	112.7	P212 R216 Y331 F345 L349 I396 D397 W403 L404 F442	P212-F400 HydrophobicContact CB-CD1 3.6Å; P212-F400 HydrophobicContact CB-CD2 4.26Å; P212-F400 HydrophobicContact CB-CE1 3.6Å; P212-F400 HydrophobicContact CB-CE2 4.24Å; P212-F400 HydrophobicContact CB-CG 3.96Å; P212-F400 HydrophobicContact CB-CZ 3.93Å; R216-F400 VanDerWaalsContact CZ-CE1 3.47Å; Y331-F400 HydrophobicContact CE2-CE2 4.21Å; F345-F400 AromaticContact CE1-CD2 3.6Å; F345-F400 HydrophobicContact CE1-CD2 3.6Å; F345-F400 HydrophobicContact CE1-CE2 4.24Å; F345-F400 HydrophobicContact CE1-CG 4.45Å; F345-F400 HydrophobicContact CZ-CB 4.49Å; F345-F400 HydrophobicContact CZ-CD2 4.17Å; L349-F400 HydrophobicContact CD2-CB 4.21Å; I396-F400 PolarHBondContact O-N 2.93Å; D397-F400 PolarHBondContact O-N 3.42Å; F400-W403 HydrophobicContact CD2-CE3 4.29Å; F400-W403 HydrophobicContact CE2-CE3 4.11Å; F400-W403 HydrophobicContact CE2-CZ3 4.43Å; F400-W403 PolarHBondContact O-N 2.83Å; F400-L404 HydrophobicContact CD1-CD1 4.28Å; F400-L404 HydrophobicContact CD2-CD1 4.01Å; F400-L404 HydrophobicContact CD2-CG 3.9Å; F400-L404 HydrophobicContact CE1-CD1 3.94Å; F400-L404 HydrophobicContact CE2-CD1 3.66Å; F400-L404 HydrophobicContact CE2-CD2 3.83Å; F400-L404 HydrophobicContact CE2-CG 3.54Å; F400-L404 HydrophobicContact CG-CD1 4.31Å; F400-L404 HydrophobicContact CZ-CD1 3.61Å; F400-L404 HydrophobicContact CZ-CD2 4.13Å; F400-L404 HydrophobicContact CZ-CG 3.98Å; F400-L404 WeakPolarHBondContact O-CG 3.44Å; F400-L404 PolarHBondContact O-N 2.84Å; F400-F442 HydrophobicContact CE2-CD2 4.22Å; F400-F442 HydrophobicContact CE2-CE2 4.04Å; F400-F442 AromaticContact CZ-CD2 3.73Å; F400-F442 HydrophobicContact CZ-CD2 3.73Å; F400-F442 HydrophobicContact CZ-CE2 4.03Å
401	E	98.5	Very high	98	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-59.2	-46	172.1	175.1	60.6	-172.1	0	0	112	D397 K398 I399 W403 L404 K405 P444 L445 Y452 M473	D397-E401 WeakPolarHBondContact O-CB 3.48Å; D397-E401 PolarHBondContact O-N 2.95Å; K398-E401 PolarHBondContact O-N 3.33Å; I399-E401 PolarHBondContact O-N 2.98Å; E401-W403 VanDerWaalsContact C-N 3.31Å; E401-W403 PolarHBondContact O-N 2.91Å; E401-L404 PolarHBondContact O-N 3.41Å; E401-K405 HydrophobicContact CG-CG 4.48Å; E401-K405 WeakPolarHBondContact O-CB 3.38Å; E401-K405 WeakPolarHBondContact O-CG 3.48Å; E401-K405 PolarHBondContact O-N 3.49Å; E401-K405 WeakPolarHBondContact OE1-CE 3.39Å; E401-K405 VanDerWaalsContact OE1-CG 3.31Å; E401-K405 WeakPolarHBondContact OE1-CG 3.32Å; E401-P444 VanDerWaalsContact OE2-CA 3.23Å; E401-P444 WeakPolarHBondContact OE2-CA 3.45Å; E401-L445 HydrophobicContact CB-CD1 4.05Å; E401-L445 HydrophobicContact CB-CG 4.48Å; E401-L445 HydrophobicContact CG-CB 4.48Å; E401-L445 HydrophobicContact CG-CD1 4.31Å; E401-L445 PolarHBondContact OE2-N 3.13Å; E401-Y452 HydrophobicContact CB-CE2 4.31Å; E401-Y452 HydrophobicContact CG-CE2 4.5Å; E401-M473 HydrophobicContact CB-SD 4.37Å; E401-M473 HydrophobicContact CG-CG 3.98Å; E401-M473 HydrophobicContact CG-SD 3.84Å
402	C	98.6	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.5	-45.5	175.6	174.4	0	0	0	0	111.8	L326 K398 I399 K405 T406 F457 C470 M473	L326-C402 HydrophobicContact CD2-CB 4.13Å; K398-C402 PolarHBondContact O-N 2.03Å; I399-C402 WeakPolarHBondContact O-CB 2.97Å; I399-C402 PolarHBondContact O-N 3.4Å; C402-K405 PolarHBondContact O-N 2.74Å; C402-T406 VanDerWaalsContact O-CB 3.26Å; C402-T406 WeakPolarHBondContact O-CB 3.14Å; C402-T406 PolarHBondContact O-N 3.36Å; C402-T406 PolarHBondContact O-OG1 2.77Å; C402-F457 HydrophobicContact CB-CE2 4.39Å; C402-F457 HydrophobicContact CB-CZ 3.96Å; C402-C470 WeakPolarHBondContact CA-SG 3.26Å; C402-C470 HydrophobicContact CB-CB 3.83Å; C402-C470 WeakPolarHBondContact CB-SG 3.24Å; C402-C470 WeakPolarHBondContact SG-CB 3.38Å; C402-C470 CovalentContact SG-SG 2.03Å; C402-C470 PolarHBondContact SG-SG 3.25Å; C402-M473 HydrophobicContact CB-SD 4.44Å
403	W	98.6	Very high	97.7	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-47.4	178.2	-176.9	89.3	0	0	0	112.2	L326 L328 Y331 F345 I399 F400 E401 K405 T406 Y407 P409 F442	L326-W403 HydrophobicContact CD2-CB 4.1Å; L328-W403 PolarHBondContact O-NE1 3.12Å; Y331-W403 HydrophobicContact CD2-CH2 4.05Å; Y331-W403 HydrophobicContact CD2-CZ3 4.03Å; Y331-W403 HydrophobicContact CG-CH2 4.31Å; F345-W403 HydrophobicContact CB-CZ2 4.29Å; F345-W403 AromaticContact CD1-CD2 3.77Å; F345-W403 HydrophobicContact CD1-CD2 3.77Å; F345-W403 AromaticContact CD1-CE2 4Å; F345-W403 HydrophobicContact CD1-CE3 4.13Å; F345-W403 AromaticContact CD1-CG 3.95Å; F345-W403 HydrophobicContact CD1-CG 3.95Å; F345-W403 HydrophobicContact CD2-CB 4.15Å; F345-W403 AromaticContact CD2-CD1 3.16Å; F345-W403 HydrophobicContact CD2-CD2 4.15Å; F345-W403 AromaticContact CD2-CG 3.57Å; F345-W403 HydrophobicContact CD2-CG 3.57Å; F345-W403 AromaticContact CD2-NE1 3.55Å; F345-W403 HydrophobicContact CE1-CB 4.08Å; F345-W403 AromaticContact CE1-CD2 3.99Å; F345-W403 HydrophobicContact CE1-CD2 3.99Å; F345-W403 HydrophobicContact CE1-CE3 4.21Å; F345-W403 AromaticContact CE1-CG 3.9Å; F345-W403 HydrophobicContact CE1-CG 3.9Å; F345-W403 HydrophobicContact CE2-CB 3.55Å; F345-W403 AromaticContact CE2-CD1 3.48Å; F345-W403 VanDerWaalsContact CE2-CD1 3.48Å; F345-W403 HydrophobicContact CE2-CD2 4.33Å; F345-W403 AromaticContact CE2-CG 3.49Å; F345-W403 HydrophobicContact CE2-CG 3.49Å; F345-W403 VanDerWaalsContact CE2-CG 3.49Å; F345-W403 AromaticContact CG-CD1 3.56Å; F345-W403 AromaticContact CG-CD2 3.85Å; F345-W403 HydrophobicContact CG-CD2 3.85Å; F345-W403 AromaticContact CG-CE2 3.73Å; F345-W403 AromaticContact CG-CG 3.79Å; F345-W403 HydrophobicContact CG-CG 3.79Å; F345-W403 HydrophobicContact CG-CZ2 4.48Å; F345-W403 AromaticContact CG-NE1 3.48Å; F345-W403 HydrophobicContact CZ-CB 3.51Å; F345-W403 HydrophobicContact CZ-CD2 4.27Å; F345-W403 AromaticContact CZ-CG 3.68Å; F345-W403 HydrophobicContact CZ-CG 3.68Å; I399-W403 PolarHBondContact O-N 3Å; F400-W403 HydrophobicContact CD2-CE3 4.29Å; F400-W403 HydrophobicContact CE2-CE3 4.11Å; F400-W403 HydrophobicContact CE2-CZ3 4.43Å; F400-W403 PolarHBondContact O-N 2.83Å; E401-W403 VanDerWaalsContact C-N 3.31Å; E401-W403 PolarHBondContact O-N 2.91Å; W403-K405 VanDerWaalsContact C-N 3.35Å; W403-K405 PolarHBondContact O-N 3.33Å; W403-T406 PolarHBondContact O-N 3.46Å; W403-T406 VanDerWaalsContact O-N 3.13Å; W403-Y407 AromaticContact CD1-CD2 3.5Å; W403-Y407 VanDerWaalsContact CD1-CD2 3.5Å; W403-Y407 AromaticContact CD1-CE2 3.51Å; W403-Y407 HydrophobicContact CD2-CD2 4.07Å; W403-Y407 AromaticContact CE2-CD2 3.6Å; W403-Y407 AromaticContact CG-CD2 3.99Å; W403-Y407 HydrophobicContact CG-CD2 3.99Å; W403-Y407 HydrophobicContact CG-CE2 4.38Å; W403-Y407 HydrophobicContact CZ2-CD2 4.19Å; W403-Y407 AromaticContact NE1-CD2 3.25Å; W403-Y407 AromaticContact NE1-CE2 3.37Å; W403-Y407 PolarHBondContact O-N 3.3Å; W403-P409 HydrophobicContact CH2-CB 4.12Å; W403-P409 HydrophobicContact CH2-CG 3.84Å; W403-P409 HydrophobicContact CZ3-CB 4.44Å; W403-P409 HydrophobicContact CZ3-CG 3.66Å; W403-F442 HydrophobicContact CH2-CZ 4.15Å; W403-F442 AromaticContact CZ3-CE2 3.98Å; W403-F442 HydrophobicContact CZ3-CE2 3.98Å; W403-F442 AromaticContact CZ3-CZ 3.8Å; W403-F442 HydrophobicContact CZ3-CZ 3.8Å
404	L	98.3	Very high	97.6	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-43.7	177.5	-75.8	169.4	0	0	0	112	F400 E401 T406 N408 P409 F442 P444	F400-L404 HydrophobicContact CD1-CD1 4.28Å; F400-L404 HydrophobicContact CD2-CD1 4.01Å; F400-L404 HydrophobicContact CD2-CG 3.9Å; F400-L404 HydrophobicContact CE1-CD1 3.94Å; F400-L404 HydrophobicContact CE2-CD1 3.66Å; F400-L404 HydrophobicContact CE2-CD2 3.83Å; F400-L404 HydrophobicContact CE2-CG 3.54Å; F400-L404 HydrophobicContact CG-CD1 4.31Å; F400-L404 HydrophobicContact CZ-CD1 3.61Å; F400-L404 HydrophobicContact CZ-CD2 4.13Å; F400-L404 HydrophobicContact CZ-CG 3.98Å; F400-L404 WeakPolarHBondContact O-CG 3.44Å; F400-L404 PolarHBondContact O-N 2.84Å; E401-L404 PolarHBondContact O-N 3.41Å; L404-T406 VanDerWaalsContact C-N 3.32Å; L404-N408 WeakPolarHBondContact O-CA 3.38Å; L404-N408 PolarHBondContact O-N 3.32Å; L404-P409 HydrophobicContact CD2-CG 3.9Å; L404-F442 HydrophobicContact CD2-CD2 4.29Å; L404-F442 HydrophobicContact CD2-CE2 4.02Å; L404-F442 HydrophobicContact CD2-CZ 4.18Å; L404-P444 HydrophobicContact CB-CG 4.4Å
405	K	97.5	Very high	97.5	Very high	29 Å²	29	32 Å²	32	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-69.2	-32	176.6	-72.2	-72.2	-167.6	-175.5	0	112.3	E401 C402 W403 P444 S446 R472 E474	E401-K405 HydrophobicContact CG-CG 4.48Å; E401-K405 WeakPolarHBondContact O-CB 3.38Å; E401-K405 WeakPolarHBondContact O-CG 3.48Å; E401-K405 PolarHBondContact O-N 3.49Å; E401-K405 WeakPolarHBondContact OE1-CE 3.39Å; E401-K405 VanDerWaalsContact OE1-CG 3.31Å; E401-K405 WeakPolarHBondContact OE1-CG 3.32Å; C402-K405 PolarHBondContact O-N 2.74Å; W403-K405 VanDerWaalsContact C-N 3.35Å; W403-K405 PolarHBondContact O-N 3.33Å; K405-P444 HydrophobicContact CD-CB 4.11Å; K405-P444 HydrophobicContact CD-CG 4.41Å; K405-S446 PolarHBondContact NZ-OG 3.25Å; K405-R472 HydrophobicContact CB-CB 4.2Å; K405-R472 WeakPolarHBondContact O-CB 3.37Å; K405-R472 VanDerWaalsContact O-CD 3.32Å; K405-R472 WeakPolarHBondContact O-CD 3.5Å; K405-E474 IonicContact NZ-OE1 3.59Å; K405-E474 PolarHBondContact NZ-OE1 2.98Å; K405-E474 IonicContact NZ-OE2 3.51Å; K405-E474 PolarHBondContact NZ-OE2 3.27Å
406	T	97.7	Very high	97.2	Very high	31 Å²	31	35.1 Å²	35.1	19%	0.19	20%	0.199	C	C	.	.	H	α-helix	trans	-69.8	-52.7	178.8	-62.2	0	0	0	0	111	C402 W403 L404 R472	C402-T406 VanDerWaalsContact O-CB 3.26Å; C402-T406 WeakPolarHBondContact O-CB 3.14Å; C402-T406 PolarHBondContact O-N 3.36Å; C402-T406 PolarHBondContact O-OG1 2.77Å; W403-T406 PolarHBondContact O-N 3.46Å; W403-T406 VanDerWaalsContact O-N 3.13Å; L404-T406 VanDerWaalsContact C-N 3.32Å; T406-R472 PolarHBondContact O-NH1 3.1Å
407	Y	97.8	Very high	96.8	Very high	79 Å²	79	42.2 Å²	42.2	31%	0.31	23%	0.23	S	C	.	.	H	α-helix	trans	-93.1	-20.4	-173.9	-68.3	-74	0	0	0	114.4	L326 S327 W403 P409	L326-Y407 WeakPolarHBondContact O-CE2 3.04Å; L326-Y407 PolarHBondContact O-OH 2.92Å; S327-Y407 PolarHBondContact O-OH 3.11Å; W403-Y407 AromaticContact CD1-CD2 3.5Å; W403-Y407 VanDerWaalsContact CD1-CD2 3.5Å; W403-Y407 AromaticContact CD1-CE2 3.51Å; W403-Y407 HydrophobicContact CD2-CD2 4.07Å; W403-Y407 AromaticContact CE2-CD2 3.6Å; W403-Y407 AromaticContact CG-CD2 3.99Å; W403-Y407 HydrophobicContact CG-CD2 3.99Å; W403-Y407 HydrophobicContact CG-CE2 4.38Å; W403-Y407 HydrophobicContact CZ2-CD2 4.19Å; W403-Y407 AromaticContact NE1-CD2 3.25Å; W403-Y407 AromaticContact NE1-CE2 3.37Å; W403-Y407 PolarHBondContact O-N 3.3Å; Y407-P409 VanDerWaalsContact C-N 3.31Å
408	N	96.4	Very high	96.3	Very high	123 Å²	123	48 Å²	48	66%	0.658	26%	0.261	S	S	*	.			trans	42.4	54.9	-174.5	-170.2	45.3	0	0	0	112.3	L404	L404-N408 WeakPolarHBondContact O-CA 3.38Å; L404-N408 PolarHBondContact O-N 3.32Å
409	P	97.1	Very high	95.9	Very high	32 Å²	32	49.4 Å²	49.4	21%	0.208	27%	0.269	C	S	.	.			trans	-64.3	149.2	-171.5	30.6	-38.5	0	0	0	111.2	W403 L404 Y407 A413 F442	W403-P409 HydrophobicContact CH2-CB 4.12Å; W403-P409 HydrophobicContact CH2-CG 3.84Å; W403-P409 HydrophobicContact CZ3-CB 4.44Å; W403-P409 HydrophobicContact CZ3-CG 3.66Å; L404-P409 HydrophobicContact CD2-CG 3.9Å; Y407-P409 VanDerWaalsContact C-N 3.31Å; P409-A413 HydrophobicContact CB-CB 3.75Å; P409-F442 HydrophobicContact CB-CE1 4.18Å; P409-F442 HydrophobicContact CB-CZ 4.26Å; P409-F442 HydrophobicContact CG-CE1 3.74Å; P409-F442 HydrophobicContact CG-CZ 3.71Å
410	S	96.2	Very high	95.5	Very high	70 Å²	70	54 Å²	54	49%	0.49	29%	0.287	S	S	.	.			trans	-66.6	156.9	169.4	74.7	0	0	0	0	110.4	N412 A413	S410-N412 PolarHBondContact O-N 3.44Å; S410-A413 VanDerWaalsContact O-CB 3.3Å; S410-A413 WeakPolarHBondContact O-CB 3.45Å; S410-A413 PolarHBondContact O-N 2.9Å
411	P	94	Very high	95.1	Very high	83 Å²	83	55.1 Å²	55.1	54%	0.539	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-52.6	-30	174.6	-29.2	36.8	0	0	0	113.8	A413 Y414 I439	P411-A413 PolarHBondContact O-N 3.27Å; P411-Y414 WeakPolarHBondContact O-CB 3.47Å; P411-Y414 PolarHBondContact O-N 3.01Å; P411-Y414 VanDerWaalsContact O-N 3.11Å; P411-I439 HydrophobicContact CB-CD1 4.02Å; P411-I439 HydrophobicContact CB-CG1 4.5Å; P411-I439 VanDerWaalsContact O-CD1 3.29Å; P411-I439 WeakPolarHBondContact O-CD1 3.35Å
412	N	94.2	Very high	94.8	Very high	139 Å²	139	55 Å²	55	74%	0.743	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-71.3	-12.1	179.7	-64.2	-12.2	0	0	0	113.9	S410 Y414	S410-N412 PolarHBondContact O-N 3.44Å; N412-Y414 PolarHBondContact O-N 2.66Å
413	A	96.5	Very high	94.6	Very high	36 Å²	36	55.1 Å²	55.1	30%	0.298	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-67.5	-23.1	170.3	0	0	0	0	0	111.8	P409 S410 P411 P415 F442	P409-A413 HydrophobicContact CB-CB 3.75Å; S410-A413 VanDerWaalsContact O-CB 3.3Å; S410-A413 WeakPolarHBondContact O-CB 3.45Å; S410-A413 PolarHBondContact O-N 2.9Å; P411-A413 PolarHBondContact O-N 3.27Å; A413-P415 WeakPolarHBondContact O-CD 3.43Å; A413-F442 HydrophobicContact CB-CE1 4.16Å; A413-F442 HydrophobicContact CB-CZ 4.32Å
414	Y	97.4	Very high	94.5	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.012	30%	0.296	C	S	.	.	S	Bend	trans	-80.8	119.6	167.3	-159.3	-72.7	0	0	0	109.3	V209 C210 T213 Y331 P411 N412 H423 S425 N438 I439 F442	V209-Y414 HydrophobicContact CG2-CE1 4.17Å; V209-Y414 PolarHBondContact O-OH 2.91Å; C210-Y414 WeakPolarHBondContact CA-OH 3.4Å; T213-Y414 HydrophobicContact CG2-CD2 4.2Å; T213-Y414 HydrophobicContact CG2-CE2 3.52Å; T213-Y414 PolarHBondContact OG1-OH 3.34Å; T213-Y414 VanDerWaalsContact OG1-OH 3.06Å; Y331-Y414 HydrophobicContact CD1-CD2 4.3Å; Y331-Y414 AromaticContact CE1-CD2 3.51Å; Y331-Y414 HydrophobicContact CE1-CD2 3.51Å; Y331-Y414 AromaticContact CE1-CE2 3.7Å; Y331-Y414 HydrophobicContact CE1-CE2 3.7Å; Y331-Y414 HydrophobicContact CE1-CG 4.21Å; Y331-Y414 AromaticContact CZ-CD2 3.96Å; Y331-Y414 AromaticContact CZ-CE2 3.91Å; Y331-Y414 WeakPolarHBondContact OH-CE2 3.26Å; P411-Y414 WeakPolarHBondContact O-CB 3.47Å; P411-Y414 PolarHBondContact O-N 3.01Å; P411-Y414 VanDerWaalsContact O-N 3.11Å; N412-Y414 PolarHBondContact O-N 2.66Å; Y414-H423 WeakPolarHBondContact CE1-O 3.3Å; Y414-S425 VanDerWaalsContact CD1-CA 3.42Å; Y414-N438 HydrophobicContact CE1-CB 3.91Å; Y414-N438 HydrophobicContact CE2-CB 4.44Å; Y414-N438 VanDerWaalsContact OH-CB 3.32Å; Y414-N438 WeakPolarHBondContact OH-CB 3.44Å; Y414-I439 HydrophobicContact CG-CD1 4.33Å; Y414-F442 HydrophobicContact CD2-CB 3.85Å; Y414-F442 HydrophobicContact CD2-CD1 4.32Å; Y414-F442 AromaticContact CD2-CD2 3.56Å; Y414-F442 HydrophobicContact CD2-CD2 3.56Å; Y414-F442 HydrophobicContact CD2-CE2 4.18Å; Y414-F442 AromaticContact CD2-CG 3.65Å; Y414-F442 HydrophobicContact CD2-CG 3.65Å; Y414-F442 HydrophobicContact CE2-CD2 4.3Å; Y414-F442 HydrophobicContact CG-CG 4.32Å
415	P	95.2	Very high	94.4	Very high	18 Å²	18	55.2 Å²	55.2	12%	0.117	30%	0.296	C	S	.	.			trans	-72.1	134.3	-172.8	28	-35.6	0	0	0	112.9	V209 Y332 A413 V419 S425	V209-P415 HydrophobicContact CB-CG 3.97Å; V209-P415 HydrophobicContact CG1-CG 3.7Å; V209-P415 HydrophobicContact CG2-CG 3.98Å; Y332-P415 HydrophobicContact CD1-CB 4.07Å; Y332-P415 HydrophobicContact CD1-CG 3.64Å; Y332-P415 HydrophobicContact CE1-CB 4.47Å; Y332-P415 HydrophobicContact CE1-CG 4.22Å; Y332-P415 HydrophobicContact CG-CG 4.25Å; A413-P415 WeakPolarHBondContact O-CD 3.43Å; P415-V419 HydrophobicContact CB-CG1 3.68Å; P415-V419 HydrophobicContact CG-CG1 3.53Å; P415-S425 PolarHBondContact O-N 3.14Å; P415-S425 VanDerWaalsContact O-N 3.07Å
416	D	93	Very high	94.3	Very high	66 Å²	66	59 Å²	59	35%	0.353	31%	0.311	S	S	.	.	S	Bend	trans	-95.6	-22.6	171.1	-175.5	50.8	0	0	0	112.9	S424 S425 Y426	D416-S424 WeakPolarHBondContact O-CB 3.42Å; D416-S424 PolarHBondContact OD1-OG 2.96Å; D416-S425 WeakPolarHBondContact CB-OG 3.35Å; D416-S425 PolarHBondContact OD1-OG 2.98Å; D416-Y426 WeakPolarHBondContact OD1-CD2 3.01Å
417	K	90.7	Very high	94.2	Very high	155 Å²	155	57.8 Å²	57.8	67%	0.674	30%	0.303	S	S	*	.	S	Bend	trans	-128.4	164.1	-176.4	-62.7	-179.4	-177.7	176.6	0	110.5	V419	K417-V419 PolarHBondContact O-N 3.01Å
418	N	88.2	Confident	94.1	Very high	133 Å²	133	55 Å²	55	71%	0.711	29%	0.293	S	S	*	.	S	Bend	trans	57.3	37.8	179.5	-53.3	-40	0	0	0	112.9	Y332	Y332-N418 PolarHBondContact OH-O 2.91Å
419	V	91.1	Very high	94.1	Very high	29 Å²	29	49.1 Å²	49.1	18%	0.176	26%	0.262	C	S	.	.	S	Bend	trans	-125.3	165.3	174.6	-65.9	0	0	0	0	109.5	V209 Y332 P415 K417 H423	V209-V419 HydrophobicContact CG1-CG1 3.96Å; V209-V419 HydrophobicContact CG2-CB 4.17Å; V209-V419 HydrophobicContact CG2-CG1 3.78Å; Y332-V419 HydrophobicContact CE1-CG1 4.03Å; P415-V419 HydrophobicContact CB-CG1 3.68Å; P415-V419 HydrophobicContact CG-CG1 3.53Å; K417-V419 PolarHBondContact O-N 3.01Å; V419-H423 HydrophobicContact CB-CB 4.22Å; V419-H423 HydrophobicContact CG2-CB 4.32Å
420	R	89.7	Confident	94	Very high	98 Å²	98	47.9 Å²	47.9	37%	0.37	25%	0.253	S	S	.	.			trans	-64.4	154	176	-66.4	-179.1	-178.7	177.9	2.5	110.6	D207 G422 H423	D207-R420 PolarHBondContact O-NH1 3.35Å; D207-R420 IonicContact OD2-CZ 2.62Å; D207-R420 IonicContact OD2-NH1 2.72Å; D207-R420 PolarHBondContact OD2-NH1 2.75Å; D207-R420 IonicContact OD2-NH2 3.38Å; D207-R420 PolarHBondContact OD2-NH2 3.49Å; R420-G422 PolarHBondContact O-N 2.9Å; R420-H423 VanDerWaalsContact O-CB 3.3Å; R420-H423 WeakPolarHBondContact O-CB 3.41Å; R420-H423 PolarHBondContact O-N 3.38Å; R420-H423 VanDerWaalsContact O-N 3.08Å
421	P	89.9	Confident	93.9	Very high	23 Å²	23	44.5 Å²	44.5	15%	0.149	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	137.4	172.6	-31.2	38.7	0	0	0	112.8	E67 I69 I79 F204 H423	E67-P421 WeakPolarHBondContact OE1-CA 3.36Å; I69-P421 HydrophobicContact CD1-CB 3.41Å; I69-P421 VanDerWaalsContact CD1-CB 3.41Å; I69-P421 HydrophobicContact CD1-CG 3.34Å; I79-P421 HydrophobicContact CD1-CB 3.97Å; F204-P421 VanDerWaalsContact CD1-O 3.3Å; F204-P421 WeakPolarHBondContact CD1-O 3.48Å; F204-P421 HydrophobicContact CE1-CB 4.33Å; F204-P421 WeakPolarHBondContact CE1-O 3.4Å; P421-H423 PolarHBondContact O-CD2 2.72Å; P421-H423 VanDerWaalsContact O-CD2 3.23Å; P421-H423 PolarHBondContact O-N 2.03Å
422	G	92.9	Very high	94	Very high	5 Å²	5	40.6 Å²	40.6	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-4.5	-179.7	0	0	0	0	0	115.3	E67 R420 S427 N438	E67-G422 VanDerWaalsContact CD-N 3.27Å; E67-G422 PolarHBondContact OE1-N 2.98Å; E67-G422 PolarHBondContact OE2-N 2.93Å; R420-G422 PolarHBondContact O-N 2.9Å; G422-S427 WeakPolarHBondContact O-CB 3.29Å; G422-N438 PolarHBondContact O-ND2 3.4Å
423	H	94.7	Very high	94	Very high	2 Å²	2	34 Å²	34	1%	0.009	17%	0.169	C	C	.	.			trans	-97.6	-4.7	-177	-70.8	-136.8	0	0	0	113.9	N203 G208 V209 C210 Y414 V419 R420 P421	N203-H423 PolarHBondContact O-NE2 3.38Å; G208-H423 WeakPolarHBondContact CA-ND1 3.45Å; V209-H423 HydrophobicContact CG2-CB 3.65Å; V209-H423 WeakPolarHBondContact CG2-O 3.27Å; V209-H423 PolarHBondContact N-ND1 3.09Å; C210-H423 HydrophobicContact CB-CB 4.49Å; C210-H423 PolarHBondContact SG-CE1 3.27Å; C210-H423 PolarHBondContact SG-ND1 3.5Å; C210-H423 VanDerWaalsContact SG-ND1 3.37Å; Y414-H423 WeakPolarHBondContact CE1-O 3.3Å; V419-H423 HydrophobicContact CB-CB 4.22Å; V419-H423 HydrophobicContact CG2-CB 4.32Å; R420-H423 VanDerWaalsContact O-CB 3.3Å; R420-H423 WeakPolarHBondContact O-CB 3.41Å; R420-H423 PolarHBondContact O-N 3.38Å; R420-H423 VanDerWaalsContact O-N 3.08Å; P421-H423 PolarHBondContact O-CD2 2.72Å; P421-H423 VanDerWaalsContact O-CD2 3.23Å; P421-H423 PolarHBondContact O-N 2.03Å
424	S	95.1	Very high	93.9	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	16%	0.155	C	C	.	.	S	Bend	trans	-64.7	158.4	-179	96.8	0	0	0	0	112.7	D416 Y426 S427 N438	D416-S424 WeakPolarHBondContact O-CB 3.42Å; D416-S424 PolarHBondContact OD1-OG 2.96Å; S424-Y426 PolarHBondContact O-N 2.79Å; S424-Y426 PolarHBondContact OG-N 3.28Å; S424-S427 PolarHBondContact O-N 3.1Å; S424-S427 VanDerWaalsContact O-N 3.09Å; S424-S427 PolarHBondContact OG-N 3.08Å; S424-S427 VanDerWaalsContact OG-N 3.14Å; S424-S427 PolarHBondContact OG-OG 2.96Å; S424-S427 VanDerWaalsContact OG-OG 3.13Å; S424-N438 PolarHBondContact O-ND2 2.94Å
425	S	96.2	Very high	93.8	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-43.1	175.9	57.1	0	0	0	0	112.4	Y414 P415 D416 I439	Y414-S425 VanDerWaalsContact CD1-CA 3.42Å; P415-S425 PolarHBondContact O-N 3.14Å; P415-S425 VanDerWaalsContact O-N 3.07Å; D416-S425 WeakPolarHBondContact CB-OG 3.35Å; D416-S425 PolarHBondContact OD1-OG 2.98Å; S425-I439 VanDerWaalsContact O-CB 3.27Å; S425-I439 WeakPolarHBondContact O-CB 3.36Å; S425-I439 WeakPolarHBondContact O-CG2 3.44Å; S425-I439 PolarHBondContact O-N 2.87Å
426	Y	95.5	Very high	93.9	Very high	108 Å²	108	32.7 Å²	32.7	42%	0.424	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.9	-178.1	-60.5	-67.6	0	0	0	114.1	D416 S424 R437 I439	D416-Y426 WeakPolarHBondContact OD1-CD2 3.01Å; S424-Y426 PolarHBondContact O-N 2.79Å; S424-Y426 PolarHBondContact OG-N 3.28Å; Y426-R437 WeakPolarHBondContact O-CD 3.42Å; Y426-R437 PolarHBondContact O-NH1 3.41Å; Y426-I439 HydrophobicContact CD1-CG2 4.27Å; Y426-I439 HydrophobicContact CE1-CG2 4.33Å
427	S	95.6	Very high	94	Very high	5 Å²	5	32 Å²	32	4%	0.035	15%	0.149	C	C	.	.	S	Bend	trans	-67	143.8	169	-71.1	0	0	0	0	110.8	G422 S424 R437 N438	G422-S427 WeakPolarHBondContact O-CB 3.29Å; S424-S427 PolarHBondContact O-N 3.1Å; S424-S427 VanDerWaalsContact O-N 3.09Å; S424-S427 PolarHBondContact OG-N 3.08Å; S424-S427 VanDerWaalsContact OG-N 3.14Å; S424-S427 PolarHBondContact OG-OG 2.96Å; S424-S427 VanDerWaalsContact OG-OG 3.13Å; S427-R437 VanDerWaalsContact O-CA 3.29Å; S427-R437 WeakPolarHBondContact O-CA 2.94Å; S427-N438 PolarHBondContact O-N 3.24Å; S427-N438 VanDerWaalsContact O-N 3.09Å; S427-N438 PolarHBondContact O-ND2 3.42Å
428	F	96.1	Very high	94.3	Very high	20 Å²	20	24.7 Å²	24.7	9%	0.088	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-67.1	144.8	171.9	-71.5	-67.8	0	0	0	109.8	I62 W63 T64 I430 L435 A436 R437	I62-F428 HydrophobicContact CG2-CE2 3.76Å; I62-F428 HydrophobicContact CG2-CZ 4.48Å; W63-F428 WeakPolarHBondContact O-CE2 3.26Å; T64-F428 HydrophobicContact CG2-CD2 4.13Å; T64-F428 HydrophobicContact CG2-CE2 4.3Å; F428-I430 PolarHBondContact O-N 3.35Å; F428-I430 VanDerWaalsContact O-N 3.11Å; F428-L435 HydrophobicContact CD1-CB 3.79Å; F428-L435 HydrophobicContact CE1-CB 3.72Å; F428-L435 HydrophobicContact CE1-CD1 4.3Å; F428-L435 HydrophobicContact CZ-CB 4.48Å; F428-L435 HydrophobicContact CZ-CD1 4.27Å; F428-A436 WeakPolarHBondContact CA-O 2.88Å; F428-R437 HydrophobicContact CD1-CG 3.97Å; F428-R437 HydrophobicContact CE1-CG 4.05Å
429	V	96.6	Very high	94.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	9%	0.089	C	C	.	.			trans	-63.6	114.5	174.2	-177.8	0	0	0	0	108.6	W81 W214 Y217 G431 I432 A436 F441	W81-V429 PolarHBondContact NE1-O 3.15Å; W81-V429 VanDerWaalsContact NE1-O 3.17Å; W214-V429 HydrophobicContact CB-CG1 4.25Å; W214-V429 HydrophobicContact CG-CG1 3.8Å; Y217-V429 HydrophobicContact CD1-CB 3.9Å; Y217-V429 HydrophobicContact CD1-CG1 3.95Å; Y217-V429 HydrophobicContact CD1-CG2 4.03Å; Y217-V429 HydrophobicContact CE1-CB 4.49Å; V429-G431 PolarHBondContact O-N 3.35Å; V429-I432 HydrophobicContact CG1-CB 4.46Å; V429-I432 HydrophobicContact CG1-CD1 3.81Å; V429-I432 HydrophobicContact CG1-CG1 4.13Å; V429-I432 PolarHBondContact O-N 3.08Å; V429-A436 PolarHBondContact N-O 2.92Å; V429-F441 HydrophobicContact CG2-CD2 4.16Å; V429-F441 HydrophobicContact CG2-CE2 4.17Å
430	I	95.2	Very high	95.1	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.026	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	133.1	-170.2	-58	-57.8	0	0	0	111.5	R78 W81 Y183 F204 W214 F428 I432	R78-I430 HydrophobicContact CB-CG2 3.87Å; R78-I430 HydrophobicContact CG-CG2 4.1Å; W81-I430 HydrophobicContact CB-CD1 3.3Å; W81-I430 HydrophobicContact CG-CD1 3.79Å; Y183-I430 HydrophobicContact CE1-CG2 4.32Å; F204-I430 HydrophobicContact CB-CB 3.72Å; F204-I430 HydrophobicContact CB-CG1 3.69Å; F204-I430 HydrophobicContact CB-CG2 3.79Å; F204-I430 HydrophobicContact CD1-CD1 4.37Å; F204-I430 HydrophobicContact CD1-CG1 3.73Å; F204-I430 HydrophobicContact CD2-CG2 4.35Å; F204-I430 HydrophobicContact CG-CB 4.27Å; F204-I430 HydrophobicContact CG-CG1 3.91Å; F204-I430 HydrophobicContact CG-CG2 4.01Å; W214-I430 PolarHBondContact NE1-O 3.26Å; F428-I430 PolarHBondContact O-N 3.35Å; F428-I430 VanDerWaalsContact O-N 3.11Å; I430-I432 PolarHBondContact O-N 2.81Å
431	G	94.1	Very high	95.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-19.5	177.2	0	0	0	0	0	115.1	W81 L180 V429	W81-G431 VanDerWaalsContact CE2-N 3.26Å; W81-G431 VanDerWaalsContact CZ2-CA 3.45Å; L180-G431 WeakPolarHBondContact CD2-O 3.4Å; V429-G431 PolarHBondContact O-N 3.35Å
432	I	95.8	Very high	95.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.			trans	-97.9	127.5	-172.3	-47.8	-174.2	0	0	0	111.1	L180 W214 Y217 L221 V429 I430	L180-I432 HydrophobicContact CD1-CG1 4.27Å; W214-I432 HydrophobicContact CD2-CD1 4.47Å; W214-I432 HydrophobicContact CZ2-CD1 4.08Å; W214-I432 HydrophobicContact CZ2-CG1 4.3Å; Y217-I432 HydrophobicContact CD1-CB 3.99Å; Y217-I432 HydrophobicContact CD1-CD1 3.92Å; Y217-I432 HydrophobicContact CD1-CG2 3.78Å; Y217-I432 HydrophobicContact CE1-CB 3.65Å; Y217-I432 HydrophobicContact CE1-CD1 4.42Å; Y217-I432 HydrophobicContact CE1-CG2 3.22Å; Y217-I432 HydrophobicContact CE2-CG2 4.28Å; Y217-I432 HydrophobicContact CG-CD1 4.35Å; Y217-I432 VanDerWaalsContact CZ-CG2 3.48Å; L221-I432 HydrophobicContact CD2-CG2 3.6Å; V429-I432 HydrophobicContact CG1-CB 4.46Å; V429-I432 HydrophobicContact CG1-CD1 3.81Å; V429-I432 HydrophobicContact CG1-CG1 4.13Å; V429-I432 PolarHBondContact O-N 3.08Å; I430-I432 PolarHBondContact O-N 2.81Å
433	I	94.7	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-120.2	138.6	168.6	-58.1	-178.3	0	0	0	107.3	P26 W81 F86 F89 Y149 L435	P26-I433 HydrophobicContact CG-CB 4.32Å; P26-I433 HydrophobicContact CG-CG2 3.47Å; P26-I433 VanDerWaalsContact CG-CG2 3.47Å; W81-I433 HydrophobicContact CH2-CD1 4.35Å; W81-I433 HydrophobicContact CH2-CG1 4.45Å; W81-I433 HydrophobicContact CZ2-CD1 4.19Å; W81-I433 HydrophobicContact CZ2-CG1 3.86Å; F86-I433 HydrophobicContact CD2-CD1 4.43Å; F86-I433 HydrophobicContact CE2-CD1 3.97Å; F89-I433 HydrophobicContact CE2-CG2 3.64Å; F89-I433 HydrophobicContact CZ-CG2 3.46Å; F89-I433 VanDerWaalsContact CZ-CG2 3.46Å; Y149-I433 VanDerWaalsContact CE1-O 3.29Å; Y149-I433 WeakPolarHBondContact CE1-O 3.43Å; Y149-I433 PolarHBondContact OH-O 2.89Å; I433-L435 HydrophobicContact CG1-CD2 4.12Å
434	P	94.7	Very high	96.2	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.019	10%	0.096	C	C	.	.	S	Bend	cis	-62.8	153.2	6.5	-19.4	32	0	0	0	114.1	F97 G98 Y217 A436	F97-P434 HydrophobicContact CD1-CG 4.26Å; F97-P434 HydrophobicContact CD2-CB 4.44Å; F97-P434 HydrophobicContact CE1-CB 4.04Å; F97-P434 HydrophobicContact CE1-CG 3.7Å; F97-P434 HydrophobicContact CE2-CB 3.8Å; F97-P434 HydrophobicContact CE2-CG 4.37Å; F97-P434 HydrophobicContact CZ-CB 3.6Å; F97-P434 HydrophobicContact CZ-CG 3.8Å; G98-P434 VanDerWaalsContact CA-CG 3.41Å; Y217-P434 WeakPolarHBondContact OH-CD 3.48Å; Y217-P434 PolarHBondContact OH-O 3.04Å; P434-A436 PolarHBondContact O-N 3.43Å
435	L	95.4	Very high	96.3	Very high	26 Å²	26	21 Å²	21	14%	0.136	10%	0.095	C	C	.	.			trans	-69	131.5	-176.9	-59.1	-178.5	0	0	0	111	I62 P82 F89 F428 I433	I62-L435 HydrophobicContact CD1-CD1 4.2Å; I62-L435 HydrophobicContact CG1-CD1 4.33Å; P82-L435 HydrophobicContact CB-CD2 4.16Å; P82-L435 HydrophobicContact CG-CD1 3.75Å; P82-L435 HydrophobicContact CG-CD2 3.66Å; P82-L435 HydrophobicContact CG-CG 4.35Å; F89-L435 HydrophobicContact CB-CD1 3.79Å; F89-L435 HydrophobicContact CD1-CB 4.36Å; F89-L435 HydrophobicContact CD1-CD1 3.67Å; F89-L435 HydrophobicContact CD1-CG 3.86Å; F89-L435 HydrophobicContact CD2-CD1 3.81Å; F89-L435 HydrophobicContact CD2-CG 4.07Å; F89-L435 HydrophobicContact CE1-CB 4.35Å; F89-L435 HydrophobicContact CE1-CD1 4.28Å; F89-L435 HydrophobicContact CE1-CG 3.95Å; F89-L435 HydrophobicContact CE2-CD1 4.36Å; F89-L435 HydrophobicContact CE2-CG 4.1Å; F89-L435 HydrophobicContact CG-CD1 3.47Å; F89-L435 VanDerWaalsContact CG-CD1 3.47Å; F89-L435 HydrophobicContact CG-CG 3.99Å; F89-L435 HydrophobicContact CZ-CG 4.09Å; F428-L435 HydrophobicContact CD1-CB 3.79Å; F428-L435 HydrophobicContact CE1-CB 3.72Å; F428-L435 HydrophobicContact CE1-CD1 4.3Å; F428-L435 HydrophobicContact CZ-CB 4.48Å; F428-L435 HydrophobicContact CZ-CD1 4.27Å; I433-L435 HydrophobicContact CG1-CD2 4.12Å
436	A	95.7	Very high	96.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	10%	0.101	C	C	.	.			trans	-149	152.3	171.1	0	0	0	0	0	108.9	W105 Y217 F428 V429 P434 E440 F441	W105-A436 HydrophobicContact CH2-CB 4.14Å; Y217-A436 HydrophobicContact CD1-CB 4.45Å; Y217-A436 HydrophobicContact CE1-CB 4.02Å; F428-A436 WeakPolarHBondContact CA-O 2.88Å; V429-A436 PolarHBondContact N-O 2.92Å; P434-A436 PolarHBondContact O-N 3.43Å; A436-E440 WeakPolarHBondContact CA-OE2 3.41Å; A436-F441 HydrophobicContact CB-CE2 3.45Å; A436-F441 VanDerWaalsContact CB-CE2 3.45Å; A436-F441 HydrophobicContact CB-CZ 3.75Å
437	R	96.2	Very high	96.3	Very high	53 Å²	53	20.3 Å²	20.3	20%	0.2	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-94	154.6	-177.1	-58.7	-178.2	-170.9	-79	-0.9	111.1	W63 Y426 S427 F428 I439 E440 F441	W63-R437 PolarHBondContact O-NH1 3.45Å; W63-R437 PolarHBondContact O-NH2 3.12Å; Y426-R437 WeakPolarHBondContact O-CD 3.42Å; Y426-R437 PolarHBondContact O-NH1 3.41Å; S427-R437 VanDerWaalsContact O-CA 3.29Å; S427-R437 WeakPolarHBondContact O-CA 2.94Å; F428-R437 HydrophobicContact CD1-CG 3.97Å; F428-R437 HydrophobicContact CE1-CG 4.05Å; R437-I439 VanDerWaalsContact C-N 3.26Å; R437-I439 HydrophobicContact CB-CG2 4.18Å; R437-I439 PolarHBondContact O-N 2.74Å; R437-E440 HydrophobicContact CB-CG 4.34Å; R437-E440 PolarHBondContact N-OE2 3.45Å; R437-E440 WeakPolarHBondContact O-CB 3.07Å; R437-E440 PolarHBondContact O-N 2.78Å; R437-F441 WeakPolarHBondContact O-CD2 3.44Å
438	N	97.4	Very high	96.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-53.1	-43.6	179	-77.2	-58.2	0	0	0	112.8	T213 Y414 G422 S424 S427 E440 F441 F442	T213-N438 PolarHBondContact OG1-OD1 3.42Å; Y414-N438 HydrophobicContact CE1-CB 3.91Å; Y414-N438 HydrophobicContact CE2-CB 4.44Å; Y414-N438 VanDerWaalsContact OH-CB 3.32Å; Y414-N438 WeakPolarHBondContact OH-CB 3.44Å; G422-N438 PolarHBondContact O-ND2 3.4Å; S424-N438 PolarHBondContact O-ND2 2.94Å; S427-N438 PolarHBondContact O-N 3.24Å; S427-N438 VanDerWaalsContact O-N 3.09Å; S427-N438 PolarHBondContact O-ND2 3.42Å; N438-E440 PolarHBondContact O-N 2.62Å; N438-E440 VanDerWaalsContact O-N 3.17Å; N438-F441 PolarHBondContact O-N 3.24Å; N438-F441 VanDerWaalsContact O-N 3.11Å; N438-F442 PolarHBondContact O-N 2.79Å
439	I	97.4	Very high	96.5	Very high	26 Å²	26	19.3 Å²	19.3	13%	0.133	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-25.9	-179.5	-165	69.8	0	0	0	113.5	P411 Y414 S425 Y426 R437 F441 F442	P411-I439 HydrophobicContact CB-CD1 4.02Å; P411-I439 HydrophobicContact CB-CG1 4.5Å; P411-I439 VanDerWaalsContact O-CD1 3.29Å; P411-I439 WeakPolarHBondContact O-CD1 3.35Å; Y414-I439 HydrophobicContact CG-CD1 4.33Å; S425-I439 VanDerWaalsContact O-CB 3.27Å; S425-I439 WeakPolarHBondContact O-CB 3.36Å; S425-I439 WeakPolarHBondContact O-CG2 3.44Å; S425-I439 PolarHBondContact O-N 2.87Å; Y426-I439 HydrophobicContact CD1-CG2 4.27Å; Y426-I439 HydrophobicContact CE1-CG2 4.33Å; R437-I439 VanDerWaalsContact C-N 3.26Å; R437-I439 HydrophobicContact CB-CG2 4.18Å; R437-I439 PolarHBondContact O-N 2.74Å; I439-F441 PolarHBondContact O-N 2.75Å; I439-F442 HydrophobicContact CD1-CB 4.44Å; I439-F442 PolarHBondContact O-N 2.73Å
440	E	97.3	Very high	96.6	Very high	60 Å²	60	19.3 Å²	19.3	28%	0.28	10%	0.095	S	C	.	.	H	α-helix	trans	-68.8	-24.5	-179.7	-63.7	-178.4	82.4	0	0	112	W105 A436 R437 N438 F448	W105-E440 HydrophobicContact CH2-CB 4.39Å; W105-E440 WeakPolarHBondContact CH2-OE1 3.37Å; W105-E440 HydrophobicContact CZ2-CB 4.39Å; A436-E440 WeakPolarHBondContact CA-OE2 3.41Å; R437-E440 HydrophobicContact CB-CG 4.34Å; R437-E440 PolarHBondContact N-OE2 3.45Å; R437-E440 WeakPolarHBondContact O-CB 3.07Å; R437-E440 PolarHBondContact O-N 2.78Å; N438-E440 PolarHBondContact O-N 2.62Å; N438-E440 VanDerWaalsContact O-N 3.17Å; E440-F448 VanDerWaalsContact O-CZ 3.31Å; E440-F448 WeakPolarHBondContact O-CZ 3.41Å
441	F	98.2	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-99.7	-5.2	177.8	-58	-78.9	0	0	0	113.6	W105 F106 T213 R216 Y217 L220 V429 A436 R437 N438 I439 K443 F448	W105-F441 HydrophobicContact CH2-CZ 4.39Å; W105-F441 HydrophobicContact CZ2-CZ 4.44Å; F106-F441 HydrophobicContact CD2-CE1 4.34Å; F106-F441 HydrophobicContact CE2-CE1 4.11Å; F106-F441 HydrophobicContact CE2-CZ 4.45Å; T213-F441 HydrophobicContact CG2-CB 4.28Å; R216-F441 WeakPolarHBondContact CD-O 3.35Å; R216-F441 HydrophobicContact CG-CB 4.42Å; R216-F441 HydrophobicContact CG-CD1 4.39Å; R216-F441 PolarHBondContact NH1-O 2.9Å; Y217-F441 HydrophobicContact CD1-CD2 4.46Å; Y217-F441 AromaticContact CD1-CE2 3.58Å; Y217-F441 HydrophobicContact CD1-CE2 3.58Å; Y217-F441 AromaticContact CD1-CZ 3.65Å; Y217-F441 HydrophobicContact CD1-CZ 3.65Å; Y217-F441 HydrophobicContact CD2-CD1 4.47Å; Y217-F441 AromaticContact CD2-CE1 3.47Å; Y217-F441 HydrophobicContact CD2-CE1 3.47Å; Y217-F441 VanDerWaalsContact CD2-CE1 3.47Å; Y217-F441 AromaticContact CD2-CE2 3.98Å; Y217-F441 HydrophobicContact CD2-CE2 3.98Å; Y217-F441 AromaticContact CD2-CZ 3.17Å; Y217-F441 HydrophobicContact CD2-CZ 3.17Å; Y217-F441 HydrophobicContact CE1-CE2 4.26Å; Y217-F441 HydrophobicContact CE1-CZ 4.16Å; Y217-F441 HydrophobicContact CE2-CE1 4.33Å; Y217-F441 AromaticContact CE2-CZ 3.78Å; Y217-F441 HydrophobicContact CE2-CZ 3.78Å; Y217-F441 HydrophobicContact CG-CD1 4.33Å; Y217-F441 HydrophobicContact CG-CD2 4.16Å; Y217-F441 AromaticContact CG-CE1 3.63Å; Y217-F441 HydrophobicContact CG-CE1 3.63Å; Y217-F441 AromaticContact CG-CE2 3.42Å; Y217-F441 HydrophobicContact CG-CE2 3.42Å; Y217-F441 VanDerWaalsContact CG-CE2 3.42Å; Y217-F441 AromaticContact CG-CZ 3.13Å; Y217-F441 HydrophobicContact CG-CZ 3.13Å; L220-F441 HydrophobicContact CD1-CD1 4.15Å; L220-F441 HydrophobicContact CD1-CE1 4.15Å; V429-F441 HydrophobicContact CG2-CD2 4.16Å; V429-F441 HydrophobicContact CG2-CE2 4.17Å; A436-F441 HydrophobicContact CB-CE2 3.45Å; A436-F441 VanDerWaalsContact CB-CE2 3.45Å; A436-F441 HydrophobicContact CB-CZ 3.75Å; R437-F441 WeakPolarHBondContact O-CD2 3.44Å; N438-F441 PolarHBondContact O-N 3.24Å; N438-F441 VanDerWaalsContact O-N 3.11Å; I439-F441 PolarHBondContact O-N 2.75Å; F441-K443 PolarHBondContact O-N 2.88Å; F441-F448 HydrophobicContact CD1-CE1 4.36Å; F441-F448 HydrophobicContact CD1-CZ 4.15Å
442	F	98.2	Very high	96.8	Very high	12 Å²	12	21.4 Å²	21.4	5%	0.053	10%	0.103	C	C	.	.	S	Bend	trans	-80.2	53.7	170.7	-165.9	-111.3	0	0	0	111.5	T213 Y331 F400 W403 L404 P409 A413 Y414 N438 I439	T213-F442 HydrophobicContact CG2-CB 4.01Å; T213-F442 HydrophobicContact CG2-CD2 4.29Å; Y331-F442 HydrophobicContact CD1-CE2 4.07Å; Y331-F442 HydrophobicContact CD1-CZ 4.3Å; Y331-F442 AromaticContact CD2-CE2 3.53Å; Y331-F442 HydrophobicContact CD2-CE2 3.53Å; Y331-F442 HydrophobicContact CD2-CZ 4.05Å; Y331-F442 HydrophobicContact CE1-CD2 4.49Å; Y331-F442 HydrophobicContact CE1-CE2 4.07Å; Y331-F442 HydrophobicContact CE2-CD2 4.23Å; Y331-F442 AromaticContact CE2-CE2 3.55Å; Y331-F442 HydrophobicContact CE2-CE2 3.55Å; Y331-F442 HydrophobicContact CE2-CZ 4.48Å; Y331-F442 AromaticContact CG-CE2 3.79Å; Y331-F442 HydrophobicContact CG-CE2 3.79Å; Y331-F442 AromaticContact CG-CZ 3.93Å; Y331-F442 HydrophobicContact CG-CZ 3.93Å; Y331-F442 AromaticContact CZ-CE2 3.79Å; F400-F442 HydrophobicContact CE2-CD2 4.22Å; F400-F442 HydrophobicContact CE2-CE2 4.04Å; F400-F442 AromaticContact CZ-CD2 3.73Å; F400-F442 HydrophobicContact CZ-CD2 3.73Å; F400-F442 HydrophobicContact CZ-CE2 4.03Å; W403-F442 HydrophobicContact CH2-CZ 4.15Å; W403-F442 AromaticContact CZ3-CE2 3.98Å; W403-F442 HydrophobicContact CZ3-CE2 3.98Å; W403-F442 AromaticContact CZ3-CZ 3.8Å; W403-F442 HydrophobicContact CZ3-CZ 3.8Å; L404-F442 HydrophobicContact CD2-CD2 4.29Å; L404-F442 HydrophobicContact CD2-CE2 4.02Å; L404-F442 HydrophobicContact CD2-CZ 4.18Å; P409-F442 HydrophobicContact CB-CE1 4.18Å; P409-F442 HydrophobicContact CB-CZ 4.26Å; P409-F442 HydrophobicContact CG-CE1 3.74Å; P409-F442 HydrophobicContact CG-CZ 3.71Å; A413-F442 HydrophobicContact CB-CE1 4.16Å; A413-F442 HydrophobicContact CB-CZ 4.32Å; Y414-F442 HydrophobicContact CD2-CB 3.85Å; Y414-F442 HydrophobicContact CD2-CD1 4.32Å; Y414-F442 AromaticContact CD2-CD2 3.56Å; Y414-F442 HydrophobicContact CD2-CD2 3.56Å; Y414-F442 HydrophobicContact CD2-CE2 4.18Å; Y414-F442 AromaticContact CD2-CG 3.65Å; Y414-F442 HydrophobicContact CD2-CG 3.65Å; Y414-F442 HydrophobicContact CE2-CD2 4.3Å; Y414-F442 HydrophobicContact CG-CG 4.32Å; N438-F442 PolarHBondContact O-N 2.79Å; I439-F442 HydrophobicContact CD1-CB 4.44Å; I439-F442 PolarHBondContact O-N 2.73Å
443	K	97.2	Very high	96.8	Very high	94 Å²	94	22.3 Å²	22.3	41%	0.409	11%	0.108	S	C	.	.	S	Bend	trans	-144.8	149.3	-175.9	-65.3	-178.5	-178.1	175.1	0	110.7	R216 F441 F448	R216-K443 PolarHBondContact NH1-O 3.25Å; F441-K443 PolarHBondContact O-N 2.88Å; K443-F448 HydrophobicContact CB-CE2 4.44Å; K443-F448 HydrophobicContact CB-CZ 4.23Å
444	P	97.7	Very high	96.9	Very high	22 Å²	22	23.4 Å²	23.4	14%	0.143	11%	0.114	C	C	.	.			trans	-56.2	143.8	176.7	-23.3	31.5	0	0	0	113.1	E401 L404 K405 S446 N447	E401-P444 VanDerWaalsContact OE2-CA 3.23Å; E401-P444 WeakPolarHBondContact OE2-CA 3.45Å; L404-P444 HydrophobicContact CB-CG 4.4Å; K405-P444 HydrophobicContact CD-CB 4.11Å; K405-P444 HydrophobicContact CD-CG 4.41Å; P444-S446 PolarHBondContact O-N 2.94Å; P444-S446 VanDerWaalsContact O-N 3.11Å; P444-N447 VanDerWaalsContact O-CB 3.32Å; P444-N447 WeakPolarHBondContact O-CB 3.33Å; P444-N447 PolarHBondContact O-N 2.7Å; P444-N447 PolarHBondContact O-ND2 3.02Å
445	L	97.7	Very high	96.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60	-22.8	-175.4	-78.5	175.1	0	0	0	114.1	R216 E401 N447 F448 G449 V450 Y452	R216-L445 HydrophobicContact CG-CD2 4.34Å; E401-L445 HydrophobicContact CB-CD1 4.05Å; E401-L445 HydrophobicContact CB-CG 4.48Å; E401-L445 HydrophobicContact CG-CB 4.48Å; E401-L445 HydrophobicContact CG-CD1 4.31Å; E401-L445 PolarHBondContact OE2-N 3.13Å; L445-N447 PolarHBondContact O-N 2.88Å; L445-F448 HydrophobicContact CD2-CD2 3.94Å; L445-F448 CarbonylContact O-C 3.49Å; L445-F448 WeakPolarHBondContact O-CA 3.22Å; L445-F448 PolarHBondContact O-N 3.19Å; L445-G449 PolarHBondContact O-N 3.41Å; L445-G449 VanDerWaalsContact O-N 3.15Å; L445-V450 CarbonylContact C-O 3.35Å; L445-V450 HydrophobicContact CB-CB 4.2Å; L445-V450 WeakPolarHBondContact CB-O 3.29Å; L445-V450 HydrophobicContact CD1-CG1 4.23Å; L445-V450 HydrophobicContact CD2-CB 4.35Å; L445-V450 PolarHBondContact O-N 3.19Å; L445-V450 VanDerWaalsContact O-N 3.13Å; L445-Y452 HydrophobicContact CD1-CE2 3.54Å
446	S	95.2	Very high	97	Very high	22 Å²	22	28 Å²	28	15%	0.154	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-57.2	-29.2	172.3	62.4	0	0	0	0	112.6	R116 K405 P444 F448 G449	R116-S446 PolarHBondContact NH2-O 3.31Å; R116-S446 VanDerWaalsContact NH2-O 3.1Å; K405-S446 PolarHBondContact NZ-OG 3.25Å; P444-S446 PolarHBondContact O-N 2.94Å; P444-S446 VanDerWaalsContact O-N 3.11Å; S446-F448 VanDerWaalsContact C-N 3.25Å; S446-F448 PolarHBondContact O-N 2.76Å; S446-G449 PolarHBondContact O-N 2.56Å; S446-G449 VanDerWaalsContact O-N 3.14Å
447	N	96.9	Very high	97.2	Very high	75 Å²	75	27.9 Å²	27.9	40%	0.401	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-61.9	-35.6	172.6	-72.3	-89.2	0	0	0	111.8	R116 P444 L445 G449	R116-N447 PolarHBondContact NH2-O 3.24Å; P444-N447 VanDerWaalsContact O-CB 3.32Å; P444-N447 WeakPolarHBondContact O-CB 3.33Å; P444-N447 PolarHBondContact O-N 2.7Å; P444-N447 PolarHBondContact O-ND2 3.02Å; L445-N447 PolarHBondContact O-N 2.88Å; N447-G449 VanDerWaalsContact C-N 3.34Å
448	F	98	Very high	97.3	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.013	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-92	6.8	178.5	-46.8	-60.5	0	0	0	113.1	W105 F106 G107 L220 E440 F441 K443 L445 S446 V450	W105-F448 HydrophobicContact CZ2-CE1 4.43Å; W105-F448 AromaticContact NE1-CD1 3.79Å; W105-F448 AromaticContact NE1-CE1 3.84Å; F106-F448 CarbonylContact C-O 3.58Å; F106-F448 HydrophobicContact CB-CB 3.79Å; F106-F448 HydrophobicContact CB-CD1 3.98Å; F106-F448 HydrophobicContact CB-CG 4.27Å; G107-F448 WeakPolarHBondContact CA-O 3.36Å; G107-F448 PolarHBondContact N-O 2.98Å; L220-F448 HydrophobicContact CD1-CB 4.28Å; L220-F448 HydrophobicContact CD1-CD1 4.39Å; L220-F448 HydrophobicContact CD1-CD2 4.08Å; L220-F448 HydrophobicContact CD1-CG 3.98Å; L220-F448 HydrophobicContact CD2-CB 4.34Å; E440-F448 VanDerWaalsContact O-CZ 3.31Å; E440-F448 WeakPolarHBondContact O-CZ 3.41Å; F441-F448 HydrophobicContact CD1-CE1 4.36Å; F441-F448 HydrophobicContact CD1-CZ 4.15Å; K443-F448 HydrophobicContact CB-CE2 4.44Å; K443-F448 HydrophobicContact CB-CZ 4.23Å; L445-F448 HydrophobicContact CD2-CD2 3.94Å; L445-F448 CarbonylContact O-C 3.49Å; L445-F448 WeakPolarHBondContact O-CA 3.22Å; L445-F448 PolarHBondContact O-N 3.19Å; S446-F448 VanDerWaalsContact C-N 3.25Å; S446-F448 PolarHBondContact O-N 2.76Å; F448-V450 VanDerWaalsContact C-N 3.25Å; F448-V450 PolarHBondContact O-N 2.94Å
449	G	97	Very high	97.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	24	179.6	0	0	0	0	0	113.9	S117 V118 R119 L445 S446 N447	S117-G449 WeakPolarHBondContact O-CA 3.44Å; V118-G449 CarbonylContact C-O 3.56Å; V118-G449 VanDerWaalsContact CA-O 3.3Å; V118-G449 WeakPolarHBondContact CA-O 3.03Å; R119-G449 PolarHBondContact N-O 2.87Å; L445-G449 PolarHBondContact O-N 3.41Å; L445-G449 VanDerWaalsContact O-N 3.15Å; S446-G449 PolarHBondContact O-N 2.56Å; S446-G449 VanDerWaalsContact O-N 3.14Å; N447-G449 VanDerWaalsContact C-N 3.34Å
450	V	97.9	Very high	97.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	178.8	177.2	0	0	0	0	109.2	R119 R121 L220 L445 F448	R119-V450 HydrophobicContact CB-CG2 4.49Å; R121-V450 HydrophobicContact CG-CG1 4.02Å; L220-V450 HydrophobicContact CD2-CG2 3.84Å; L445-V450 CarbonylContact C-O 3.35Å; L445-V450 HydrophobicContact CB-CB 4.2Å; L445-V450 WeakPolarHBondContact CB-O 3.29Å; L445-V450 HydrophobicContact CD1-CG1 4.23Å; L445-V450 HydrophobicContact CD2-CB 4.35Å; L445-V450 PolarHBondContact O-N 3.19Å; L445-V450 VanDerWaalsContact O-N 3.13Å; F448-V450 VanDerWaalsContact C-N 3.25Å; F448-V450 PolarHBondContact O-N 2.94Å
451	Y	97.6	Very high	97.2	Very high	46 Å²	46	31.7 Å²	31.7	18%	0.18	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.2	178.9	-63	-93.7	0	0	0	110.3	V118 R119 I120 R121 E474 I476	V118-Y451 HydrophobicContact CG1-CD2 3.89Å; V118-Y451 HydrophobicContact CG1-CE2 4.14Å; V118-Y451 HydrophobicContact CG2-CE2 4.43Å; R119-Y451 PolarHBondContact O-N 2.89Å; I120-Y451 CarbonylContact C-O 3.31Å; I120-Y451 WeakPolarHBondContact CA-O 3.31Å; R121-Y451 PolarHBondContact N-O 2.95Å; Y451-E474 HydrophobicContact CD1-CB 4.29Å; Y451-E474 HydrophobicContact CE1-CB 4.23Å; Y451-I476 HydrophobicContact CD1-CD1 4.04Å; Y451-I476 HydrophobicContact CD1-CG1 4.06Å; Y451-I476 HydrophobicContact CD2-CD1 3.59Å; Y451-I476 HydrophobicContact CD2-CG1 4.41Å; Y451-I476 HydrophobicContact CE1-CD1 4.41Å; Y451-I476 HydrophobicContact CE2-CD1 4.01Å; Y451-I476 HydrophobicContact CG-CD1 3.61Å; Y451-I476 HydrophobicContact CG-CG1 3.92Å
452	Y	97.4	Very high	97.1	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	156.4	168.5	-67.3	-83.6	0	0	0	110.8	R121 Y243 T394 K398 E401 L445 N454 M473 T475 I476	R121-Y452 HydrophobicContact CB-CD1 3.71Å; R121-Y452 HydrophobicContact CB-CE1 3.71Å; R121-Y452 HydrophobicContact CG-CE1 4.43Å; R121-Y452 PolarHBondContact NH1-OH 3.39Å; R121-Y452 WeakPolarHBondContact O-CA 3.48Å; Y243-Y452 AromaticContact CD1-CD1 3.65Å; Y243-Y452 HydrophobicContact CD1-CD1 3.65Å; Y243-Y452 AromaticContact CD1-CE1 3.85Å; Y243-Y452 HydrophobicContact CD1-CE1 3.85Å; Y243-Y452 AromaticContact CE1-CD1 3.65Å; Y243-Y452 HydrophobicContact CE1-CD1 3.65Å; Y243-Y452 HydrophobicContact CE1-CE1 4.31Å; Y243-Y452 HydrophobicContact CG-CE1 4.45Å; T394-Y452 HydrophobicContact CG2-CE1 4.28Å; T394-Y452 PolarHBondContact O-OH 3.5Å; K398-Y452 VanDerWaalsContact CA-CZ 3.47Å; K398-Y452 WeakPolarHBondContact CA-OH 3.34Å; K398-Y452 HydrophobicContact CB-CD1 4.16Å; K398-Y452 HydrophobicContact CB-CD2 4.27Å; K398-Y452 HydrophobicContact CB-CE1 3.61Å; K398-Y452 HydrophobicContact CB-CE2 3.75Å; K398-Y452 HydrophobicContact CB-CG 4.47Å; K398-Y452 VanDerWaalsContact CB-CZ 3.4Å; K398-Y452 HydrophobicContact CD-CD1 3.8Å; K398-Y452 HydrophobicContact CD-CE1 4.08Å; K398-Y452 HydrophobicContact CD-CG 4.05Å; K398-Y452 HydrophobicContact CG-CD1 3.78Å; K398-Y452 HydrophobicContact CG-CD2 3.75Å; K398-Y452 HydrophobicContact CG-CE1 3.78Å; K398-Y452 HydrophobicContact CG-CE2 3.76Å; K398-Y452 HydrophobicContact CG-CG 3.77Å; K398-Y452 PolarHBondContact N-OH 2.68Å; E401-Y452 HydrophobicContact CB-CE2 4.31Å; E401-Y452 HydrophobicContact CG-CE2 4.5Å; L445-Y452 HydrophobicContact CD1-CE2 3.54Å; Y452-N454 VanDerWaalsContact C-N 3.33Å; Y452-M473 HydrophobicContact CD2-SD 4.27Å; Y452-T475 VanDerWaalsContact O-CA 3.27Å; Y452-T475 WeakPolarHBondContact O-CA 3.44Å; Y452-T475 VanDerWaalsContact O-CB 3.3Å; Y452-T475 WeakPolarHBondContact O-CB 3.28Å; Y452-I476 PolarHBondContact O-N 2.9Å; Y452-I476 VanDerWaalsContact O-N 3.1Å
453	D	95.8	Very high	96.8	Very high	19 Å²	19	37.6 Å²	37.6	10%	0.102	18%	0.181	C	C	.	.	S	Bend	trans	-71.2	-24.9	-179.9	67	-35.1	0	0	0	114.4	I120 R121 R122 Y243 I476	I120-D453 HydrophobicContact CG2-CB 4.22Å; R121-D453 PolarHBondContact O-N 2.89Å; R121-D453 VanDerWaalsContact O-N 3.12Å; R122-D453 HydrophobicContact CB-CB 4.4Å; R122-D453 HydrophobicContact CG-CB 3.45Å; R122-D453 VanDerWaalsContact CG-CB 3.45Å; Y243-D453 VanDerWaalsContact CE1-OD1 3.26Å; Y243-D453 WeakPolarHBondContact CE1-OD1 3.29Å; Y243-D453 PolarHBondContact OH-OD1 2.89Å; D453-I476 WeakPolarHBondContact CA-O 3.23Å
454	N	95.6	Very high	96.6	Very high	23 Å²	23	36.6 Å²	36.6	12%	0.123	20%	0.197	C	C	.	.			trans	-154.3	165	-179	69.2	66.5	0	0	0	112.2	Y243 K398 Y452 L456 M473	Y243-N454 PolarHBondContact OH-ND2 3.39Å; K398-N454 WeakPolarHBondContact CE-O 3.32Å; K398-N454 PolarHBondContact NZ-O 2.87Å; K398-N454 PolarHBondContact NZ-OD1 3.39Å; Y452-N454 VanDerWaalsContact C-N 3.33Å; N454-L456 PolarHBondContact OD1-N 2.88Å; N454-L456 PolarHBondContact OD1-O 3.2Å; N454-M473 VanDerWaalsContact O-CE 3.29Å; N454-M473 WeakPolarHBondContact O-CE 3.43Å
455	K	96	Very high	96.5	Very high	66 Å²	66	40.1 Å²	40.1	29%	0.287	21%	0.207	S	C	.	.	S	Bend	trans	-94.9	5.9	-179.9	-53.3	-174.6	-166.2	-157.1	0	114	F457 S469 C470 S471 M473 T475	K455-F457 WeakPolarHBondContact O-CD2 3.45Å; K455-F457 WeakPolarHBondContact O-CE2 3.44Å; K455-S469 WeakPolarHBondContact O-CA 3.44Å; K455-C470 WeakPolarHBondContact CD-O 3.36Å; K455-C470 PolarHBondContact O-N 3.08Å; K455-S471 PolarHBondContact NZ-O 2.85Å; K455-S471 VanDerWaalsContact NZ-O 3.1Å; K455-M473 HydrophobicContact CB-CE 4.27Å; K455-M473 VanDerWaalsContact CD-O 3.26Å; K455-M473 WeakPolarHBondContact CD-O 3.48Å; K455-M473 WeakPolarHBondContact CE-O 3.13Å; K455-M473 HydrophobicContact CG-CB 4.49Å; K455-M473 HydrophobicContact CG-CE 4.4Å; K455-M473 PolarHBondContact NZ-O 2.72Å; K455-T475 HydrophobicContact CB-CG2 4.38Å; K455-T475 HydrophobicContact CD-CG2 4.41Å; K455-T475 HydrophobicContact CG-CG2 3.36Å
456	L	97.6	Very high	96.4	Very high	59 Å²	59	44.9 Å²	44.9	31%	0.309	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	148.2	-168.8	-57.2	177.8	0	0	0	111.4	K398 N454 P467 Y468	K398-L456 PolarHBondContact NZ-O 2.82Å; N454-L456 PolarHBondContact OD1-N 2.88Å; N454-L456 PolarHBondContact OD1-O 3.2Å; L456-P467 HydrophobicContact CB-CB 4.4Å; L456-Y468 CarbonylContact C-O 3.52Å; L456-Y468 WeakPolarHBondContact CA-O 3.41Å
457	F	98.4	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.7	174.9	-57.8	-103.6	0	0	0	108.5	D245 L322 F395 K398 I399 C402 K455 P467 Y468 C470 M473	D245-F457 WeakPolarHBondContact OD2-CA 3.47Å; L322-F457 HydrophobicContact CD1-CD1 4.46Å; L322-F457 HydrophobicContact CD2-CB 3.25Å; L322-F457 HydrophobicContact CD2-CD1 4.04Å; L322-F457 HydrophobicContact CD2-CD2 4.44Å; L322-F457 HydrophobicContact CD2-CG 3.69Å; F395-F457 AromaticContact CE2-CD1 3.69Å; F395-F457 HydrophobicContact CE2-CD1 3.69Å; F395-F457 HydrophobicContact CE2-CE1 4.11Å; F395-F457 AromaticContact CZ-CD1 3.6Å; F395-F457 HydrophobicContact CZ-CD1 3.6Å; F395-F457 HydrophobicContact CZ-CE1 4.34Å; K398-F457 HydrophobicContact CB-CE1 4.28Å; K398-F457 HydrophobicContact CD-CE1 3.86Å; K398-F457 HydrophobicContact CD-CZ 4.1Å; K398-F457 HydrophobicContact CG-CE1 3.77Å; K398-F457 HydrophobicContact CG-CZ 3.82Å; I399-F457 HydrophobicContact CB-CE1 4.5Å; I399-F457 HydrophobicContact CG1-CD1 4.03Å; I399-F457 HydrophobicContact CG1-CE1 3.65Å; C402-F457 HydrophobicContact CB-CE2 4.39Å; C402-F457 HydrophobicContact CB-CZ 3.96Å; K455-F457 WeakPolarHBondContact O-CD2 3.45Å; K455-F457 WeakPolarHBondContact O-CE2 3.44Å; F457-P467 CarbonylContact O-C 3.37Å; F457-P467 WeakPolarHBondContact O-CA 3.49Å; F457-P467 WeakPolarHBondContact O-CB 3.45Å; F457-Y468 AromaticContact CD2-CD1 3.93Å; F457-Y468 HydrophobicContact CD2-CD1 3.93Å; F457-Y468 PolarHBondContact N-O 2.94Å; F457-Y468 PolarHBondContact O-N 3.03Å; F457-C470 HydrophobicContact CE2-CB 3.73Å; F457-M473 HydrophobicContact CE2-CE 4.35Å; F457-M473 HydrophobicContact CZ-CE 4.32Å
458	G	98.1	Very high	96.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	24%	0.241	C	C	.	.			trans	80.3	27.3	-171.2	0	0	0	0	0	113.6	D245 F460 A461	D245-G458 VanDerWaalsContact CG-N 3.27Å; D245-G458 PolarHBondContact OD1-N 3.42Å; D245-G458 PolarHBondContact OD2-N 2.77Å; G458-F460 PolarHBondContact O-N 3.38Å; G458-F460 VanDerWaalsContact O-N 3.16Å; G458-A461 WeakPolarHBondContact O-CB 3.18Å; G458-A461 PolarHBondContact O-N 2.93Å
459	R	96.6	Very high	96.6	Very high	131 Å²	131	48.8 Å²	48.8	49%	0.494	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.4	178.6	-179.4	176.3	179.6	-173.8	0.8	113	D245	D245-R459 PolarHBondContact OD2-N 2.91Å
460	F	96.5	Very high	96.6	Very high	65 Å²	65	48.7 Å²	48.7	29%	0.285	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	20.9	-175.1	-58	-88.5	0	0	0	112	R125 T126 L249 G458 H462	R125-F460 HydrophobicContact CB-CE1 4.49Å; R125-F460 HydrophobicContact CB-CE2 4.5Å; R125-F460 HydrophobicContact CB-CZ 4.11Å; R125-F460 VanDerWaalsContact NH1-CB 3.31Å; T126-F460 HydrophobicContact CG2-CZ 4.35Å; L249-F460 HydrophobicContact CD2-CB 4.45Å; L249-F460 WeakPolarHBondContact CD2-O 3.38Å; G458-F460 PolarHBondContact O-N 3.38Å; G458-F460 VanDerWaalsContact O-N 3.16Å; F460-H462 PolarHBondContact O-CD2 3.2Å; F460-H462 VanDerWaalsContact O-CD2 3.31Å
461	A	97.3	Very high	96.3	Very high	22 Å²	22	53 Å²	53	18%	0.182	29%	0.292	C	S	.	.			trans	-58.1	139.9	-176.8	0	0	0	0	0	111.9	G458 D463	G458-A461 WeakPolarHBondContact O-CB 3.18Å; G458-A461 PolarHBondContact O-N 2.93Å; A461-D463 WeakPolarHBondContact CB-OD1 3.32Å
462	H	96.3	Very high	96.1	Very high	77 Å²	77	58.4 Å²	58.4	36%	0.356	31%	0.312	S	S	.	.	S	Bend	trans	-91.1	-10.6	178.8	-62	170.1	0	0	0	112.7	G248 L249 T250 Y251 F460 G464	G248-H462 PolarHBondContact O-N 3.12Å; L249-H462 WeakPolarHBondContact CD2-NE2 3.44Å; T250-H462 HydrophobicContact CG2-CB 4.16Å; T250-H462 PolarHBondContact N-ND1 3.1Å; T250-H462 PolarHBondContact OG1-ND1 3.19Å; Y251-H462 AromaticContact CD1-CE1 3.92Å; Y251-H462 AromaticContact CE1-CE1 3.36Å; Y251-H462 WeakPolarHBondContact CE1-CE1 3.47Å; Y251-H462 AromaticContact CE1-ND1 3.7Å; Y251-H462 AromaticContact CZ-CE1 3.68Å; F460-H462 PolarHBondContact O-CD2 3.2Å; F460-H462 VanDerWaalsContact O-CD2 3.31Å; H462-G464 VanDerWaalsContact C-N 3.3Å
463	D	93.2	Very high	95.9	Very high	59 Å²	59	58.3 Å²	58.3	32%	0.316	31%	0.311	S	S	.	.	S	Bend	trans	-86.7	2.2	-177.4	68.3	-2.6	0	0	0	113.7	A461 R465	A461-D463 WeakPolarHBondContact CB-OD1 3.32Å; D463-R465 PolarHBondContact O-N 2.74Å; D463-R465 WeakPolarHBondContact OD1-CB 3.25Å; D463-R465 PolarHBondContact OD1-N 2.97Å; D463-R465 VanDerWaalsContact OD1-N 3.08Å; D463-R465 WeakPolarHBondContact OD2-CD 3.42Å; D463-R465 IonicContact OD2-CZ 2.95Å; D463-R465 IonicContact OD2-NE 3.18Å; D463-R465 IonicContact OD2-NH1 3.83Å; D463-R465 PolarHBondContact OD2-NH1 3.41Å
464	G	92.1	Very high	95.7	Very high	73 Å²	73	61.6 Å²	61.6	75%	0.753	33%	0.326	S	S	*	.			trans	73.7	3.3	178.4	0	0	0	0	0	114.7	H462	H462-G464 VanDerWaalsContact C-N 3.3Å
465	R	94.8	Very high	95.3	Very high	96 Å²	96	62.5 Å²	62.5	36%	0.362	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-74.3	143.4	178.5	-65.4	-175.1	-176.3	133.7	-18.6	110.9	D318 D463	D318-R465 IonicContact OD1-NH1 3.57Å; D318-R465 IonicContact OD2-CZ 2.74Å; D318-R465 IonicContact OD2-NH1 3.86Å; D318-R465 PolarHBondContact OD2-NH1 3.37Å; D318-R465 IonicContact OD2-NH2 3.66Å; D463-R465 PolarHBondContact O-N 2.74Å; D463-R465 WeakPolarHBondContact OD1-CB 3.25Å; D463-R465 PolarHBondContact OD1-N 2.97Å; D463-R465 VanDerWaalsContact OD1-N 3.08Å; D463-R465 WeakPolarHBondContact OD2-CD 3.42Å; D463-R465 IonicContact OD2-CZ 2.95Å; D463-R465 IonicContact OD2-NE 3.18Å; D463-R465 IonicContact OD2-NH1 3.83Å; D463-R465 PolarHBondContact OD2-NH1 3.41Å
466	P	96.6	Very high	94.8	Very high	101 Å²	101	61.9 Å²	61.9	66%	0.656	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-65.7	146	176.8	27.9	-34.4	0	0	0	110.7
467	P	97.5	Very high	93.5	Very high	58 Å²	58	64.9 Å²	64.9	38%	0.377	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-60.2	142.8	176.5	-22	32.6	0	0	0	111.9	L456 F457	L456-P467 HydrophobicContact CB-CB 4.4Å; F457-P467 CarbonylContact O-C 3.37Å; F457-P467 WeakPolarHBondContact O-CA 3.49Å; F457-P467 WeakPolarHBondContact O-CB 3.45Å
468	Y	98.1	Very high	91.4	Very high	60 Å²	60	72.7 Å²	72.7	24%	0.235	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.1	168.5	177.5	-92.5	0	0	0	110.2	L322 K323 L326 L456 F457 C470	L322-Y468 HydrophobicContact CD2-CD1 4.2Å; L322-Y468 HydrophobicContact CD2-CG 4.32Å; K323-Y468 HydrophobicContact CG-CD2 3.81Å; K323-Y468 HydrophobicContact CG-CE2 4.18Å; L326-Y468 HydrophobicContact CD1-CD1 3.92Å; L326-Y468 HydrophobicContact CD1-CE1 3.38Å; L456-Y468 CarbonylContact C-O 3.52Å; L456-Y468 WeakPolarHBondContact CA-O 3.41Å; F457-Y468 AromaticContact CD2-CD1 3.93Å; F457-Y468 HydrophobicContact CD2-CD1 3.93Å; F457-Y468 PolarHBondContact N-O 2.94Å; F457-Y468 PolarHBondContact O-N 3.03Å; Y468-C470 HydrophobicContact CE1-CB 4.04Å
469	S	97.7	Very high	89.2	Confident	64 Å²	64	74.1 Å²	74.1	45%	0.448	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116	177.4	-175	0	0	0	0	110.9	K455 S471	K455-S469 WeakPolarHBondContact O-CA 3.44Å; S469-S471 PolarHBondContact O-N 3.31Å; S469-S471 VanDerWaalsContact O-N 3.12Å
470	C	97.1	Very high	86.6	Confident	0 Å²	0	77 Å²	77	0%	0	41%	0.413	C	S	.	.			trans	-81.3	89.4	177	-169.2	0	0	0	0	111.2	C402 K455 F457 Y468 R472 M473	C402-C470 WeakPolarHBondContact CA-SG 3.26Å; C402-C470 HydrophobicContact CB-CB 3.83Å; C402-C470 WeakPolarHBondContact CB-SG 3.24Å; C402-C470 WeakPolarHBondContact SG-CB 3.38Å; C402-C470 CovalentContact SG-SG 2.03Å; C402-C470 PolarHBondContact SG-SG 3.25Å; K455-C470 WeakPolarHBondContact CD-O 3.36Å; K455-C470 PolarHBondContact O-N 3.08Å; F457-C470 HydrophobicContact CE2-CB 3.73Å; Y468-C470 HydrophobicContact CE1-CB 4.04Å; C470-R472 VanDerWaalsContact C-N 3.31Å; C470-R472 PolarHBondContact O-N 2.88Å; C470-M473 HydrophobicContact CB-CB 4.13Å; C470-M473 PolarHBondContact O-N 3.16Å; C470-M473 VanDerWaalsContact O-N 3.09Å
471	S	92.6	Very high	84.1	Confident	92 Å²	92	78.1 Å²	78.1	64%	0.643	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.2	-170.1	59.5	0	0	0	0	114.4	K455 S469 M473	K455-S471 PolarHBondContact NZ-O 2.85Å; K455-S471 VanDerWaalsContact NZ-O 3.1Å; S469-S471 PolarHBondContact O-N 3.31Å; S469-S471 VanDerWaalsContact O-N 3.12Å; S471-M473 PolarHBondContact O-N 2.76Å
472	R	93.6	Very high	83.5	Confident	158 Å²	158	81 Å²	81	60%	0.596	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.1	-177.8	-59.6	-155.3	-177	172	-7.8	114.6	K405 T406 C470	K405-R472 HydrophobicContact CB-CB 4.2Å; K405-R472 WeakPolarHBondContact O-CB 3.37Å; K405-R472 VanDerWaalsContact O-CD 3.32Å; K405-R472 WeakPolarHBondContact O-CD 3.5Å; T406-R472 PolarHBondContact O-NH1 3.1Å; C470-R472 VanDerWaalsContact C-N 3.31Å; C470-R472 PolarHBondContact O-N 2.88Å
473	M	93.3	Very high	82.8	Confident	1 Å²	1	81.2 Å²	81.2	1%	0.005	43%	0.432	C	S	.	.			trans	-71.2	139.5	179.7	-167.3	168.6	67.4	0	0	110.9	K398 E401 C402 Y452 N454 K455 F457 C470 S471 T475	K398-M473 HydrophobicContact CG-CE 4.36Å; K398-M473 HydrophobicContact CG-SD 4.35Å; E401-M473 HydrophobicContact CB-SD 4.37Å; E401-M473 HydrophobicContact CG-CG 3.98Å; E401-M473 HydrophobicContact CG-SD 3.84Å; C402-M473 HydrophobicContact CB-SD 4.44Å; Y452-M473 HydrophobicContact CD2-SD 4.27Å; N454-M473 VanDerWaalsContact O-CE 3.29Å; N454-M473 WeakPolarHBondContact O-CE 3.43Å; K455-M473 HydrophobicContact CB-CE 4.27Å; K455-M473 VanDerWaalsContact CD-O 3.26Å; K455-M473 WeakPolarHBondContact CD-O 3.48Å; K455-M473 WeakPolarHBondContact CE-O 3.13Å; K455-M473 HydrophobicContact CG-CB 4.49Å; K455-M473 HydrophobicContact CG-CE 4.4Å; K455-M473 PolarHBondContact NZ-O 2.72Å; F457-M473 HydrophobicContact CE2-CE 4.35Å; F457-M473 HydrophobicContact CZ-CE 4.32Å; C470-M473 HydrophobicContact CB-CB 4.13Å; C470-M473 PolarHBondContact O-N 3.16Å; C470-M473 VanDerWaalsContact O-N 3.09Å; S471-M473 PolarHBondContact O-N 2.76Å; M473-T475 HydrophobicContact CE-CG2 4.15Å
474	E	89.9	Confident	82.2	Confident	88 Å²	88	82.4 Å²	82.4	41%	0.411	44%	0.439	S	S	.	.			trans	-87.5	139.3	173.4	-74.5	164.3	-144.2	0	0	110.2	K405 Y451	K405-E474 IonicContact NZ-OE1 3.59Å; K405-E474 PolarHBondContact NZ-OE1 2.98Å; K405-E474 IonicContact NZ-OE2 3.51Å; K405-E474 PolarHBondContact NZ-OE2 3.27Å; Y451-E474 HydrophobicContact CD1-CB 4.29Å; Y451-E474 HydrophobicContact CE1-CB 4.23Å
475	T	88.3	Confident	81.7	Confident	42 Å²	42	82.9 Å²	82.9	26%	0.258	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-140.8	149.6	-177.2	53.3	0	0	0	0	111.6	Y452 K455 M473	Y452-T475 VanDerWaalsContact O-CA 3.27Å; Y452-T475 WeakPolarHBondContact O-CA 3.44Å; Y452-T475 VanDerWaalsContact O-CB 3.3Å; Y452-T475 WeakPolarHBondContact O-CB 3.28Å; K455-T475 HydrophobicContact CB-CG2 4.38Å; K455-T475 HydrophobicContact CD-CG2 4.41Å; K455-T475 HydrophobicContact CG-CG2 3.36Å; M473-T475 HydrophobicContact CE-CG2 4.15Å
476	I	84.8	Confident	80.8	Confident	52 Å²	52	82.1 Å²	82.1	27%	0.267	42%	0.424	S	S	.	.			trans	-120.6	113.4	173.3	-56.7	177	0	0	0	107.6	V118 I120 Y451 Y452 D453 K478	V118-I476 HydrophobicContact CG1-CD1 3.66Å; I120-I476 HydrophobicContact CD1-CB 3.73Å; I120-I476 HydrophobicContact CD1-CG2 3.44Å; I120-I476 VanDerWaalsContact CD1-CG2 3.44Å; I120-I476 HydrophobicContact CG1-CB 4.17Å; I120-I476 HydrophobicContact CG1-CG2 4.36Å; Y451-I476 HydrophobicContact CD1-CD1 4.04Å; Y451-I476 HydrophobicContact CD1-CG1 4.06Å; Y451-I476 HydrophobicContact CD2-CD1 3.59Å; Y451-I476 HydrophobicContact CD2-CG1 4.41Å; Y451-I476 HydrophobicContact CE1-CD1 4.41Å; Y451-I476 HydrophobicContact CE2-CD1 4.01Å; Y451-I476 HydrophobicContact CG-CD1 3.61Å; Y451-I476 HydrophobicContact CG-CG1 3.92Å; Y452-I476 PolarHBondContact O-N 2.9Å; Y452-I476 VanDerWaalsContact O-N 3.1Å; D453-I476 WeakPolarHBondContact CA-O 3.23Å; I476-K478 WeakPolarHBondContact CG2-O 3.44Å
477	T	70.6	Confident	79.8	Confident	122 Å²	122	80.9 Å²	80.9	75%	0.748	41%	0.408	S	S	*	.	S	Bend	trans	-80.7	-18.4	-176.2	47.1	0	0	0	0	113.6
478	K	54.1	Low	78.5	Confident	165 Å²	165	82.5 Å²	82.5	72%	0.717	41%	0.41	S	S	*	.			trans	-127.9	108.1	178.5	-76.2	-175.4	177.5	179	0	111.4	I476	I476-K478 WeakPolarHBondContact CG2-O 3.44Å
479	G	52.5	Low	77	Confident	31 Å²	31	84.2 Å²	84.2	32%	0.32	42%	0.424	S	S	.	.			trans	-141.8	129.1	148	0	0	0	0	0	106.6
480	Y	42.5	Very low	75.3	Confident	190 Å²	190	85.9 Å²	85.9	75%	0.745	42%	0.422	S	S	*	.			trans	-100.5	136.9	170.1	-71.3	-84	0	0	0	106.8
481	Y	44.1	Very low	73.3	Confident	90 Å²	90	93.7 Å²	93.7	35%	0.353	46%	0.46	S	S	.	.			trans	-67.9	0	164.7	-66.1	-60.5	0	0	0	111	R122 E131 I236 D238 F239 A240	R122-Y481 VanDerWaalsContact NH2-CD2 3.28Å; E131-Y481 HydrophobicContact CG-CD2 4.06Å; I236-Y481 HydrophobicContact CG2-CD1 3.71Å; I236-Y481 HydrophobicContact CG2-CE1 4.37Å; I236-Y481 HydrophobicContact CG2-CG 4.33Å; D238-Y481 WeakPolarHBondContact O-CE1 3.42Å; D238-Y481 WeakPolarHBondContact OD1-CD1 3.38Å; F239-Y481 VanDerWaalsContact CA-CE1 3.5Å; A240-Y481 WeakPolarHBondContact CA-OH 3.12Å; A240-Y481 WeakPolarHBondContact CB-OH 3.43Å; A240-Y481 PolarHBondContact N-OH 3.2Å; A240-Y481 PolarHBondContact O-OH 3.29Å

Retrieved 481 of 481 residues in 500.6 ms (Link to these results)

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