A0A3Q0KID3_SCHMA Loading...

Adenosine diphosphatase, putative

AlphaFold DB , UniProt , Accession A0A3Q0KID3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 563 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	31.8	Very low	235 Å²	235	141.8 Å²	141.8	100%	1.158	84%	0.84	S	S	*	*				0	92.3	0	-80	170	169	0	0	107.6
2	N	32.6	Very low	31.6	Very low	175 Å²	175	139.8 Å²	139.8	94%	0.936	84%	0.838	S	S	*	*			trans	-84.5	110.6	169.7	-91.1	-11.7	0	0	0	106.9
3	V	35.1	Very low	31.4	Very low	132 Å²	132	137.5 Å²	137.5	80%	0.8	83%	0.825	S	S	*	*			trans	-106.6	89.7	168.4	-172.7	0	0	0	0	105.9	A5	V3-A5 PolarHBondContact O-N 2.74Å
4	G	28.8	Very low	31	Very low	73 Å²	73	138.5 Å²	138.5	75%	0.753	82%	0.824	S	S	*	*			trans	-72.2	116.4	162.8	0	0	0	0	0	107.7
5	A	33.8	Very low	30.9	Very low	79 Å²	79	141.1 Å²	141.1	65%	0.653	82%	0.821	S	S	*	*			trans	-105.2	100.7	165.8	0	0	0	0	0	106.6	V3 F7	V3-A5 PolarHBondContact O-N 2.74Å; A5-F7 PolarHBondContact O-N 3.13Å
6	D	30.9	Very low	30.7	Very low	161 Å²	161	138.2 Å²	138.2	86%	0.861	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-56.6	121.6	169.1	-74.6	-44.1	0	0	0	109.4
7	F	29	Very low	30.4	Very low	198 Å²	198	143.7 Å²	143.7	87%	0.868	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78.2	125.7	167	-80.5	-89.8	0	0	0	108.3	A5 S9	A5-F7 PolarHBondContact O-N 3.13Å; F7-S9 PolarHBondContact O-N 3.12Å
8	P	30.6	Very low	30.2	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.7	128.4	179.3	25.2	-30.7	0	0	0	110.3	A10	P8-A10 PolarHBondContact O-N 3.43Å
9	S	29.4	Very low	30	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-53.8	122.4	167.9	49	0	0	0	0	109.9	F7 E11	F7-S9 PolarHBondContact O-N 3.12Å; S9-E11 PolarHBondContact O-N 2.98Å
10	A	33.3	Very low	29.8	Very low	103 Å²	103	149.5 Å²	149.5	85%	0.851	82%	0.817	S	S	*	*			trans	-63	104	170.1	0	0	0	0	0	109.1	P8 S12	P8-A10 PolarHBondContact O-N 3.43Å; A10-S12 PolarHBondContact O-N 2.84Å
11	E	30.4	Very low	29.6	Very low	176 Å²	176	150 Å²	150	82%	0.822	81%	0.814	S	S	*	*			trans	-58.4	130.6	165.5	-75.6	178.6	155.6	0	0	109.4	S9 V13	S9-E11 PolarHBondContact O-N 2.98Å; E11-V13 PolarHBondContact O-N 2.85Å
12	S	29.3	Very low	29.3	Very low	117 Å²	117	143.1 Å²	143.1	82%	0.818	79%	0.789	S	S	*	*			trans	-59.4	102.2	172	49.6	0	0	0	0	110.3	A10 D14	A10-S12 PolarHBondContact O-N 2.84Å; S12-D14 PolarHBondContact O-N 3.37Å
13	V	29	Very low	29.1	Very low	111 Å²	111	141.5 Å²	141.5	67%	0.673	78%	0.78	S	S	*	*			trans	-82.1	105.5	168.6	-179.2	0	0	0	0	108.2	E11 F15	E11-V13 PolarHBondContact O-N 2.85Å; V13-F15 HydrophobicContact CB-CE2 4.47Å; V13-F15 HydrophobicContact CG1-CD2 4.15Å; V13-F15 HydrophobicContact CG1-CE2 3.87Å; V13-F15 HydrophobicContact CG1-CZ 4.39Å; V13-F15 PolarHBondContact O-N 2.95Å; V13-F15 VanDerWaalsContact O-N 3.13Å
14	D	26.3	Very low	28.8	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	78%	0.778	S	S	*	*			trans	-70.4	94.8	177.5	-152.2	1.8	0	0	0	109.4	S12 S16	S12-D14 PolarHBondContact O-N 3.37Å; D14-S16 VanDerWaalsContact C-N 3.26Å; D14-S16 PolarHBondContact O-N 3.1Å
15	F	29.6	Very low	28.8	Very low	178 Å²	178	147 Å²	147	78%	0.781	78%	0.78	S	S	*	*			trans	-77	83.9	171.1	-83.8	-82.8	0	0	0	109.1	V13 Y17	V13-F15 HydrophobicContact CB-CE2 4.47Å; V13-F15 HydrophobicContact CG1-CD2 4.15Å; V13-F15 HydrophobicContact CG1-CE2 3.87Å; V13-F15 HydrophobicContact CG1-CZ 4.39Å; V13-F15 PolarHBondContact O-N 2.95Å; V13-F15 VanDerWaalsContact O-N 3.13Å; F15-Y17 PolarHBondContact O-N 3.44Å
16	S	28.2	Very low	28.6	Very low	94 Å²	94	148 Å²	148	66%	0.657	78%	0.783	S	S	*	*			trans	-49.6	127.9	162.7	55.9	0	0	0	0	110.4	D14 I18	D14-S16 VanDerWaalsContact C-N 3.26Å; D14-S16 PolarHBondContact O-N 3.1Å; S16-I18 PolarHBondContact O-N 3.32Å
17	Y	25	Very low	28.7	Very low	232 Å²	232	144.2 Å²	144.2	91%	0.91	76%	0.762	S	S	*	*			trans	-58.8	103.5	176.9	-87.8	-102.5	0	0	0	109.8	F15 E19	F15-Y17 PolarHBondContact O-N 3.44Å; Y17-E19 PolarHBondContact O-N 2.86Å
18	I	26.3	Very low	28.9	Very low	142 Å²	142	140.2 Å²	140.2	73%	0.728	76%	0.756	S	S	*	*			trans	-76.6	102	164	-61	177.1	0	0	0	106.4	S16 Y20	S16-I18 PolarHBondContact O-N 3.32Å; I18-Y20 PolarHBondContact O-N 2.89Å
19	E	26.1	Very low	29.2	Very low	182 Å²	182	139.8 Å²	139.8	85%	0.85	75%	0.747	S	S	*	*			trans	-51.7	104.3	165.1	-102.2	174.7	159.8	0	0	108.8	Y17 E21	Y17-E19 PolarHBondContact O-N 2.86Å; E19-E21 VanDerWaalsContact C-N 3.33Å; E19-E21 PolarHBondContact O-N 3.5Å
20	Y	25.9	Very low	29.4	Very low	222 Å²	222	140.2 Å²	140.2	87%	0.871	74%	0.735	S	S	*	*			trans	-68.8	97.5	162.4	-99.6	-94.4	0	0	0	107.1	I18 S22	I18-Y20 PolarHBondContact O-N 2.89Å; Y20-S22 PolarHBondContact O-N 3.23Å
21	E	26.9	Very low	29.6	Very low	162 Å²	162	137.5 Å²	137.5	76%	0.757	71%	0.71	S	S	*	*			trans	-51.7	107.4	162.5	-80.2	-174.8	149.9	0	0	108.2	E19 N23	E19-E21 VanDerWaalsContact C-N 3.33Å; E19-E21 PolarHBondContact O-N 3.5Å; E21-N23 VanDerWaalsContact C-N 3.27Å; E21-N23 PolarHBondContact O-N 3.41Å
22	S	29.6	Very low	30.1	Very low	90 Å²	90	133.6 Å²	133.6	63%	0.629	70%	0.7	S	S	*	*			trans	-64.4	94.2	169.6	64.7	0	0	0	0	107.5	Y20 H24	Y20-S22 PolarHBondContact O-N 3.23Å; S22-H24 PolarHBondContact O-N 2.88Å
23	N	27.4	Very low	30.2	Very low	141 Å²	141	132.5 Å²	132.5	75%	0.754	68%	0.683	S	S	*	*			trans	-64.8	83.3	163.5	-82.4	-42.4	0	0	0	107.9	E21 I25	E21-N23 VanDerWaalsContact C-N 3.27Å; E21-N23 PolarHBondContact O-N 3.41Å; N23-I25 PolarHBondContact O-N 3.47Å
24	H	29.8	Very low	30.7	Very low	166 Å²	166	130 Å²	130	77%	0.769	67%	0.666	S	S	*	*			trans	-63.1	88.3	165.3	-91.3	-58.8	0	0	0	107.6	S22 S26	S22-H24 PolarHBondContact O-N 2.88Å; H24-S26 VanDerWaalsContact C-N 3.27Å; H24-S26 PolarHBondContact O-N 3.42Å
25	I	29.1	Very low	31.1	Very low	155 Å²	155	125.8 Å²	125.8	80%	0.795	65%	0.647	S	S	*	*			trans	-62.7	98.9	161.1	-63.1	173.3	0	0	0	105.8	N23 N27	N23-I25 PolarHBondContact O-N 3.47Å; I25-N27 PolarHBondContact O-N 2.88Å
26	S	27.7	Very low	31.5	Very low	100 Å²	100	125.4 Å²	125.4	70%	0.699	65%	0.645	S	S	*	*			trans	-64.5	94.2	171.5	51.8	0	0	0	0	108.5	H24 P28	H24-S26 VanDerWaalsContact C-N 3.27Å; H24-S26 PolarHBondContact O-N 3.42Å; S26-P28 WeakPolarHBondContact O-CD 3.48Å
27	N	33	Very low	31.9	Very low	80 Å²	80	124.5 Å²	124.5	43%	0.428	64%	0.635	S	S	.	*			trans	-70.9	113.6	165.5	-164.9	-6.9	0	0	0	108	I25 D29	I25-N27 PolarHBondContact O-N 2.88Å; N27-D29 VanDerWaalsContact C-N 3.27Å; N27-D29 PolarHBondContact O-N 3.37Å
28	P	33.9	Very low	32.3	Very low	114 Å²	114	116.5 Å²	116.5	74%	0.74	61%	0.608	S	S	*	*	S	Bend	trans	-73.2	-11.1	-172	-16.3	31.8	0	0	0	114.8	S26 K30	S26-P28 WeakPolarHBondContact O-CD 3.48Å; P28-K30 PolarHBondContact O-N 2.9Å
29	D	36.5	Very low	32.7	Very low	112 Å²	112	116.9 Å²	116.9	60%	0.599	60%	0.602	S	S	*	*			trans	-101.8	75.9	-170.8	-71	-25.1	0	0	0	111.7	N27	N27-D29 VanDerWaalsContact C-N 3.27Å; N27-D29 PolarHBondContact O-N 3.37Å
30	K	35.2	Very low	33.3	Very low	116 Å²	116	115 Å²	115	50%	0.504	59%	0.593	S	S	.	*			trans	-105.2	129.9	177	-73.9	179.2	-179.4	179.6	0	110.7	P28 I34	P28-K30 PolarHBondContact O-N 2.9Å; K30-I34 HydrophobicContact CB-CB 4.34Å; K30-I34 HydrophobicContact CB-CD1 3.96Å; K30-I34 HydrophobicContact CD-CD1 4.39Å; K30-I34 HydrophobicContact CD-CG2 3.96Å; K30-I34 HydrophobicContact CG-CD1 4.02Å
31	S	36.5	Very low	33.8	Very low	46 Å²	46	113.1 Å²	113.1	32%	0.322	58%	0.584	S	S	.	*			trans	-50.9	139.7	169.4	171.3	0	0	0	0	110.8	M33 I34	S31-M33 PolarHBondContact O-N 2.83Å; S31-I34 PolarHBondContact O-N 3.47Å
32	P	40.4	Very low	34.3	Very low	95 Å²	95	111.4 Å²	111.4	62%	0.617	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	0.5	-173.9	22.9	-31.7	0	0	0	115.6	P35	P32-P35 WeakPolarHBondContact O-CD 3.31Å
33	M	31.3	Very low	34.7	Very low	94 Å²	94	114.7 Å²	114.7	46%	0.463	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	-10.4	167.9	-86	-73.8	-154	0	0	114.6	S31	S31-M33 PolarHBondContact O-N 2.83Å
34	I	41	Very low	35.7	Very low	59 Å²	59	114.1 Å²	114.1	30%	0.303	58%	0.578	S	S	.	*	H	α-helix	trans	-78.6	-33.3	-179.5	-61.7	171.5	0	0	0	114.2	K30 S31 F36 V37 N38	K30-I34 HydrophobicContact CB-CB 4.34Å; K30-I34 HydrophobicContact CB-CD1 3.96Å; K30-I34 HydrophobicContact CD-CD1 4.39Å; K30-I34 HydrophobicContact CD-CG2 3.96Å; K30-I34 HydrophobicContact CG-CD1 4.02Å; S31-I34 PolarHBondContact O-N 3.47Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 3.4Å; I34-V37 PolarHBondContact O-N 2.89Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.45Å; I34-N38 PolarHBondContact O-N 3.5Å
35	P	34.3	Very low	36.1	Very low	62 Å²	62	109.3 Å²	109.3	40%	0.403	57%	0.574	S	S	.	*	H	α-helix	trans	-62.3	-38.1	178.2	-21.9	32.9	0	0	0	112.7	P32 V37 N38 Y39	P32-P35 WeakPolarHBondContact O-CD 3.31Å; P35-V37 VanDerWaalsContact C-N 3.3Å; P35-V37 PolarHBondContact O-N 3.31Å; P35-N38 PolarHBondContact O-N 2.94Å; P35-Y39 HydrophobicContact CB-CD2 4.48Å; P35-Y39 HydrophobicContact CB-CE2 4.41Å; P35-Y39 WeakPolarHBondContact O-CD2 3.44Å; P35-Y39 PolarHBondContact O-N 3.46Å
36	F	37.3	Very low	36.5	Very low	169 Å²	169	108.5 Å²	108.5	74%	0.741	57%	0.57	S	S	*	*	H	α-helix	trans	-64.9	-31.4	-176.2	-106.9	-83.8	0	0	0	113.8	I34	I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 3.4Å
37	V	36.9	Very low	37.1	Very low	76 Å²	76	114.5 Å²	114.5	46%	0.461	58%	0.577	S	S	.	*	H	α-helix	trans	-81.8	-34.2	178.5	-175.2	0	0	0	0	111.5	I34 P35	I34-V37 PolarHBondContact O-N 2.89Å; P35-V37 VanDerWaalsContact C-N 3.3Å; P35-V37 PolarHBondContact O-N 3.31Å
38	N	33.4	Very low	37.6	Very low	64 Å²	64	113.7 Å²	113.7	34%	0.342	58%	0.577	S	S	.	*	H	α-helix	trans	-75.7	-29.4	179.3	-76.4	-26.1	0	0	0	113.5	I34 P35 Q40 R41 L42	I34-N38 WeakPolarHBondContact CG2-ND2 3.45Å; I34-N38 PolarHBondContact O-N 3.5Å; P35-N38 PolarHBondContact O-N 2.94Å; N38-Q40 VanDerWaalsContact C-N 3.29Å; N38-Q40 PolarHBondContact O-N 3.31Å; N38-R41 PolarHBondContact O-N 2.95Å; N38-R41 VanDerWaalsContact O-N 3.1Å; N38-L42 PolarHBondContact O-N 3.32Å
39	Y	35.2	Very low	38.3	Very low	150 Å²	150	112.3 Å²	112.3	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-62.4	-35.8	173.5	-87.6	-71.8	0	0	0	112.3	P35 R41 L42 F43	P35-Y39 HydrophobicContact CB-CD2 4.48Å; P35-Y39 HydrophobicContact CB-CE2 4.41Å; P35-Y39 WeakPolarHBondContact O-CD2 3.44Å; P35-Y39 PolarHBondContact O-N 3.46Å; Y39-R41 VanDerWaalsContact C-N 3.29Å; Y39-R41 PolarHBondContact O-N 2.97Å; Y39-L42 PolarHBondContact O-N 2.9Å; Y39-F43 HydrophobicContact CD1-CE2 4.13Å; Y39-F43 VanDerWaalsContact O-CD2 3.25Å; Y39-F43 WeakPolarHBondContact O-CD2 3.2Å
40	Q	37.1	Very low	39.3	Very low	141 Å²	141	112.4 Å²	112.4	66%	0.659	58%	0.579	S	S	*	*	H	α-helix	trans	-66.9	-29.4	174.4	-74	-174.3	-27.2	0	0	112.9	N38 I44	N38-Q40 VanDerWaalsContact C-N 3.29Å; N38-Q40 PolarHBondContact O-N 3.31Å; Q40-I44 WeakPolarHBondContact O-CD1 3.41Å; Q40-I44 WeakPolarHBondContact O-CG1 3.38Å
41	R	37.2	Very low	40.2	Very low	183 Å²	183	112.9 Å²	112.9	69%	0.691	60%	0.596	S	S	*	*	H	α-helix	trans	-73	-34.8	176.7	-70.1	-176.9	174.6	-175.6	-1.6	112.7	N38 Y39	N38-R41 PolarHBondContact O-N 2.95Å; N38-R41 VanDerWaalsContact O-N 3.1Å; Y39-R41 VanDerWaalsContact C-N 3.29Å; Y39-R41 PolarHBondContact O-N 2.97Å
42	L	37.5	Very low	40.8	Very low	127 Å²	127	115.7 Å²	115.7	67%	0.665	61%	0.606	S	S	*	*	H	α-helix	trans	-71.5	-37.3	-176.8	-141.3	88.2	0	0	0	113.1	N38 Y39	N38-L42 PolarHBondContact O-N 3.32Å; Y39-L42 PolarHBondContact O-N 2.9Å
43	F	39.1	Very low	41.7	Very low	158 Å²	158	119.3 Å²	119.3	69%	0.693	61%	0.608	S	S	*	*	H	α-helix	trans	-79.7	-18	-175.5	-74.3	-71.1	0	0	0	114.7	Y39	Y39-F43 HydrophobicContact CD1-CE2 4.13Å; Y39-F43 VanDerWaalsContact O-CD2 3.25Å; Y39-F43 WeakPolarHBondContact O-CD2 3.2Å
44	I	46.6	Very low	43.5	Very low	130 Å²	130	118.6 Å²	118.6	67%	0.667	61%	0.612	S	S	*	*	H	α-helix	trans	-81.2	-25.5	178.7	-61.4	171.4	0	0	0	111.3	Q40 L46	Q40-I44 WeakPolarHBondContact O-CD1 3.41Å; Q40-I44 WeakPolarHBondContact O-CG1 3.38Å; I44-L46 VanDerWaalsContact C-N 3.32Å; I44-L46 PolarHBondContact O-N 3.29Å
45	G	38.8	Very low	45	Very low	65 Å²	65	118.1 Å²	118.1	67%	0.67	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-11.8	-177.5	0	0	0	0	0	116
46	L	38.1	Very low	47.1	Very low	138 Å²	138	120 Å²	120	72%	0.723	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	38.3	-176.9	-68.5	169.7	0	0	0	112.9	I44 P48	I44-L46 VanDerWaalsContact C-N 3.32Å; I44-L46 PolarHBondContact O-N 3.29Å; L46-P48 VanDerWaalsContact O-CD 3.27Å; L46-P48 WeakPolarHBondContact O-CD 3.45Å
47	R	40.4	Very low	49.1	Very low	225 Å²	225	116.8 Å²	116.8	85%	0.849	60%	0.601	S	S	*	*			trans	-78.1	113	169.4	-105.2	-176.5	175.4	179.5	0.8	109.7
48	P	44.1	Very low	51.1	Low	64 Å²	64	120.4 Å²	120.4	42%	0.416	61%	0.606	S	S	.	*			trans	-71.2	150.5	174.9	-8.6	25.6	0	0	0	110.5	L46 Y56	L46-P48 VanDerWaalsContact O-CD 3.27Å; L46-P48 WeakPolarHBondContact O-CD 3.45Å; P48-Y56 HydrophobicContact CG-CD1 4.47Å; P48-Y56 HydrophobicContact CG-CD2 3.88Å; P48-Y56 HydrophobicContact CG-CE2 4.19Å; P48-Y56 HydrophobicContact CG-CG 4.03Å
49	S	48.3	Very low	53.6	Low	85 Å²	85	122.4 Å²	122.4	59%	0.594	62%	0.616	S	S	*	*			trans	-59.8	153.6	178.3	52.6	0	0	0	0	112.9	C51 L52	S49-C51 PolarHBondContact O-N 3.32Å; S49-L52 PolarHBondContact O-N 3.31Å; S49-L52 VanDerWaalsContact O-N 3.12Å
50	S	57.4	Low	56	Low	113 Å²	113	118.5 Å²	118.5	79%	0.79	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-52	-26.7	-165	49.2	0	0	0	0	116
51	C	53.5	Low	58.4	Low	127 Å²	127	119.1 Å²	119.1	86%	0.858	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-76.1	-25.5	-177.3	-127.2	0	0	0	0	114	S49	S49-C51 PolarHBondContact O-N 3.32Å
52	L	49.6	Very low	61	Low	104 Å²	104	119.6 Å²	119.6	55%	0.545	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-97.7	3.3	-176.1	-78.4	154.3	0	0	0	113.9	S49 S54 S55 Y56	S49-L52 PolarHBondContact O-N 3.31Å; S49-L52 VanDerWaalsContact O-N 3.12Å; L52-S54 PolarHBondContact O-N 3.45Å; L52-S55 PolarHBondContact O-N 2.95Å; L52-Y56 WeakPolarHBondContact O-CB 3.32Å; L52-Y56 PolarHBondContact O-N 3.31Å
53	R	58.8	Low	63.5	Low	172 Å²	172	117.3 Å²	117.3	65%	0.649	59%	0.594	S	S	*	*	H	α-helix	trans	-59.8	-38.2	-171.1	-166.8	172.6	-179.3	-173.5	-0.5	113.8	H57	R53-H57 PolarHBondContact O-CD2 3.41Å; R53-H57 PolarHBondContact O-N 3.21Å
54	S	68.4	Low	66	Low	78 Å²	78	113.7 Å²	113.7	55%	0.545	58%	0.581	S	S	.	*	H	α-helix	trans	-72.3	-39.7	-179.5	124.2	0	0	0	0	112.6	L52 R58	L52-S54 PolarHBondContact O-N 3.45Å; S54-R58 PolarHBondContact O-N 2.97Å; S54-R58 PolarHBondContact O-NE 2.9Å; S54-R58 PolarHBondContact OG-NH2 3.49Å
55	S	72.7	Confident	68.3	Low	49 Å²	49	113.4 Å²	113.4	34%	0.343	57%	0.572	S	S	.	*	H	α-helix	trans	-72.6	-39.9	178.5	-65.7	0	0	0	0	111.4	L52 R58 I59	L52-S55 PolarHBondContact O-N 2.95Å; S55-R58 PolarHBondContact O-N 2.91Å; S55-R58 PolarHBondContact OG-NH2 2.73Å; S55-I59 WeakPolarHBondContact O-CG1 3.5Å; S55-I59 PolarHBondContact O-N 3.04Å
56	Y	79.6	Confident	70.9	Confident	101 Å²	101	113 Å²	113	40%	0.396	56%	0.563	S	S	.	*	H	α-helix	trans	-59.3	-49.4	175.6	179.6	-98.5	0	0	0	112.3	P48 L52 R58 I59 L60	P48-Y56 HydrophobicContact CG-CD1 4.47Å; P48-Y56 HydrophobicContact CG-CD2 3.88Å; P48-Y56 HydrophobicContact CG-CE2 4.19Å; P48-Y56 HydrophobicContact CG-CG 4.03Å; L52-Y56 WeakPolarHBondContact O-CB 3.32Å; L52-Y56 PolarHBondContact O-N 3.31Å; Y56-R58 VanDerWaalsContact C-N 3.3Å; Y56-R58 PolarHBondContact O-N 2.91Å; Y56-I59 PolarHBondContact O-N 3.32Å; Y56-L60 HydrophobicContact CE1-CD2 4Å; Y56-L60 WeakPolarHBondContact O-CB 3.46Å; Y56-L60 PolarHBondContact O-N 3.42Å
57	H	78	Confident	73.6	Confident	102 Å²	102	110 Å²	110	47%	0.472	55%	0.553	S	S	.	*	H	α-helix	trans	-63.7	-33.9	178.5	-79.7	-63	0	0	0	112.8	R53 R61	R53-H57 PolarHBondContact O-CD2 3.41Å; R53-H57 PolarHBondContact O-N 3.21Å; H57-R61 WeakPolarHBondContact O-CB 3.26Å; H57-R61 PolarHBondContact O-N 3.01Å
58	R	79.3	Confident	76.1	Confident	152 Å²	152	103.2 Å²	103.2	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-66.7	-43.1	173.7	-80.5	-174.3	-70.1	-178.4	1.9	112.3	S54 S55 Y56 R62	S54-R58 PolarHBondContact O-N 2.97Å; S54-R58 PolarHBondContact O-NE 2.9Å; S54-R58 PolarHBondContact OG-NH2 3.49Å; S55-R58 PolarHBondContact O-N 2.91Å; S55-R58 PolarHBondContact OG-NH2 2.73Å; Y56-R58 VanDerWaalsContact C-N 3.3Å; Y56-R58 PolarHBondContact O-N 2.91Å; R58-R62 WeakPolarHBondContact O-CG 3.37Å; R58-R62 PolarHBondContact O-N 2.94Å; R58-R62 VanDerWaalsContact O-N 3.11Å
59	I	86	Confident	78.4	Confident	107 Å²	107	101.6 Å²	101.6	55%	0.549	53%	0.527	S	S	.	.	H	α-helix	trans	-66.6	-49.2	178	-66.5	165.6	0	0	0	110.2	S55 Y56 R61 R62 V63	S55-I59 WeakPolarHBondContact O-CG1 3.5Å; S55-I59 PolarHBondContact O-N 3.04Å; Y56-I59 PolarHBondContact O-N 3.32Å; I59-R61 VanDerWaalsContact C-N 3.29Å; I59-R61 PolarHBondContact O-N 2.9Å; I59-R62 WeakPolarHBondContact O-CB 3.36Å; I59-R62 PolarHBondContact O-N 3.48Å; I59-R62 VanDerWaalsContact O-N 3.08Å; I59-V63 HydrophobicContact CG2-CG2 4.44Å; I59-V63 WeakPolarHBondContact O-CG2 3.37Å; I59-V63 PolarHBondContact O-N 3.11Å
60	L	85.5	Confident	80.6	Confident	67 Å²	67	101.5 Å²	101.5	35%	0.351	52%	0.523	S	S	.	.	H	α-helix	trans	-57.5	-43.2	178.8	-177.1	64.6	0	0	0	111.6	Y56 R62 V63 I64	Y56-L60 HydrophobicContact CE1-CD2 4Å; Y56-L60 WeakPolarHBondContact O-CB 3.46Å; Y56-L60 PolarHBondContact O-N 3.42Å; L60-R62 PolarHBondContact O-N 3.08Å; L60-V63 PolarHBondContact O-N 3.37Å; L60-I64 HydrophobicContact CD1-CD1 4.33Å; L60-I64 HydrophobicContact CG-CD1 4Å; L60-I64 VanDerWaalsContact O-CG1 3.31Å; L60-I64 WeakPolarHBondContact O-CG1 3.34Å; L60-I64 PolarHBondContact O-N 2.85Å
61	R	88.3	Confident	82.3	Confident	154 Å²	154	100.1 Å²	100.1	58%	0.581	51%	0.51	S	S	*	.	H	α-helix	trans	-64.1	-38.9	177.3	-170.5	175.9	-177.3	-169.7	-2.7	112	H57 I59 Y65	H57-R61 WeakPolarHBondContact O-CB 3.26Å; H57-R61 PolarHBondContact O-N 3.01Å; I59-R61 VanDerWaalsContact C-N 3.29Å; I59-R61 PolarHBondContact O-N 2.9Å; R61-Y65 HydrophobicContact CG-CD2 3.86Å; R61-Y65 HydrophobicContact CG-CE2 3.3Å; R61-Y65 VanDerWaalsContact CZ-OH 3.31Å; R61-Y65 VanDerWaalsContact NE-CE2 3.29Å; R61-Y65 PolarHBondContact NE-OH 3.28Å; R61-Y65 PolarHBondContact NH2-OH 3.49Å; R61-Y65 WeakPolarHBondContact O-CD2 3.31Å; R61-Y65 VanDerWaalsContact O-CG 3.28Å; R61-Y65 PolarHBondContact O-N 3.32Å
62	R	90.4	Very high	84.2	Confident	194 Å²	194	99 Å²	99	73%	0.732	50%	0.495	S	S	*	.	H	α-helix	trans	-64.5	-41.9	173.8	-74.9	178.4	177.5	-166.6	-1.3	112.2	R58 I59 L60 Y65 A66	R58-R62 WeakPolarHBondContact O-CG 3.37Å; R58-R62 PolarHBondContact O-N 2.94Å; R58-R62 VanDerWaalsContact O-N 3.11Å; I59-R62 WeakPolarHBondContact O-CB 3.36Å; I59-R62 PolarHBondContact O-N 3.48Å; I59-R62 VanDerWaalsContact O-N 3.08Å; L60-R62 PolarHBondContact O-N 3.08Å; R62-Y65 PolarHBondContact O-N 3.03Å; R62-A66 WeakPolarHBondContact O-CB 3.49Å; R62-A66 PolarHBondContact O-N 2.97Å
63	V	91.7	Very high	86.3	Confident	78 Å²	78	99.7 Å²	99.7	47%	0.473	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-46.9	176.7	174.2	0	0	0	0	110.7	I59 L60 Y65 A66 C67	I59-V63 HydrophobicContact CG2-CG2 4.44Å; I59-V63 WeakPolarHBondContact O-CG2 3.37Å; I59-V63 PolarHBondContact O-N 3.11Å; L60-V63 PolarHBondContact O-N 3.37Å; V63-Y65 VanDerWaalsContact C-N 3.34Å; V63-Y65 PolarHBondContact O-N 2.91Å; V63-A66 PolarHBondContact O-N 2.94Å; V63-C67 PolarHBondContact O-N 3.46Å; V63-C67 PolarHBondContact O-SG 2.92Å
64	I	91.2	Very high	87.9	Confident	83 Å²	83	96.5 Å²	96.5	43%	0.426	49%	0.493	S	S	.	.	H	α-helix	trans	-59.3	-45.4	177.3	-69	167.4	0	0	0	111	L60 C67 I68	L60-I64 HydrophobicContact CD1-CD1 4.33Å; L60-I64 HydrophobicContact CG-CD1 4Å; L60-I64 VanDerWaalsContact O-CG1 3.31Å; L60-I64 WeakPolarHBondContact O-CG1 3.34Å; L60-I64 PolarHBondContact O-N 2.85Å; I64-C67 PolarHBondContact O-N 2.84Å; I64-I68 HydrophobicContact CG2-CD1 3.83Å; I64-I68 WeakPolarHBondContact O-CG1 3.38Å; I64-I68 PolarHBondContact O-N 3.36Å
65	Y	94.3	Very high	89	Confident	123 Å²	123	100 Å²	100	48%	0.482	50%	0.499	S	S	.	.	H	α-helix	trans	-66.7	-36	177.6	-67.5	-36.2	0	0	0	113.3	R61 R62 V63 I68 G69	R61-Y65 HydrophobicContact CG-CD2 3.86Å; R61-Y65 HydrophobicContact CG-CE2 3.3Å; R61-Y65 VanDerWaalsContact CZ-OH 3.31Å; R61-Y65 VanDerWaalsContact NE-CE2 3.29Å; R61-Y65 PolarHBondContact NE-OH 3.28Å; R61-Y65 PolarHBondContact NH2-OH 3.49Å; R61-Y65 WeakPolarHBondContact O-CD2 3.31Å; R61-Y65 VanDerWaalsContact O-CG 3.28Å; R61-Y65 PolarHBondContact O-N 3.32Å; R62-Y65 PolarHBondContact O-N 3.03Å; V63-Y65 VanDerWaalsContact C-N 3.34Å; V63-Y65 PolarHBondContact O-N 2.91Å; Y65-I68 HydrophobicContact CD1-CD1 4.48Å; Y65-I68 PolarHBondContact O-N 3.07Å; Y65-G69 PolarHBondContact O-N 2.81Å
66	A	93.5	Very high	89.9	Confident	58 Å²	58	103.1 Å²	103.1	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-44.4	172.9	0	0	0	0	0	111.4	R62 V63 G69 V70	R62-A66 WeakPolarHBondContact O-CB 3.49Å; R62-A66 PolarHBondContact O-N 2.97Å; V63-A66 PolarHBondContact O-N 2.94Å; A66-G69 PolarHBondContact O-N 3.26Å; A66-V70 WeakPolarHBondContact O-CG2 3.38Å; A66-V70 PolarHBondContact O-N 3.26Å
67	C	93.9	Very high	90.3	Very high	75 Å²	75	106 Å²	106	51%	0.507	52%	0.522	S	S	.	.	H	α-helix	trans	-61.1	-46.9	176.2	-67.8	0	0	0	0	111.9	V63 I64 G69 V70 T71	V63-C67 PolarHBondContact O-N 3.46Å; V63-C67 PolarHBondContact O-SG 2.92Å; I64-C67 PolarHBondContact O-N 2.84Å; C67-G69 VanDerWaalsContact C-N 3.32Å; C67-G69 PolarHBondContact O-N 3.22Å; C67-V70 PolarHBondContact O-N 2.98Å; C67-T71 PolarHBondContact O-N 3.3Å; C67-T71 PolarHBondContact O-OG1 3.23Å
68	I	92.8	Very high	90.7	Very high	82 Å²	82	105.1 Å²	105.1	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-59.8	-44.6	176.2	-67.3	167.1	0	0	0	110.4	I64 Y65 T71 L72	I64-I68 HydrophobicContact CG2-CD1 3.83Å; I64-I68 WeakPolarHBondContact O-CG1 3.38Å; I64-I68 PolarHBondContact O-N 3.36Å; Y65-I68 HydrophobicContact CD1-CD1 4.48Å; Y65-I68 PolarHBondContact O-N 3.07Å; I68-T71 VanDerWaalsContact C-OG1 3.32Å; I68-T71 VanDerWaalsContact CA-OG1 3.29Å; I68-T71 WeakPolarHBondContact CA-OG1 3.29Å; I68-T71 PolarHBondContact O-N 3.16Å; I68-T71 PolarHBondContact O-OG1 2.82Å; I68-L72 HydrophobicContact CG2-CD1 3.91Å; I68-L72 HydrophobicContact CG2-CG 4.46Å; I68-L72 WeakPolarHBondContact O-CG 3.42Å; I68-L72 PolarHBondContact O-N 2.79Å
69	G	93.4	Very high	91	Very high	29 Å²	29	100.2 Å²	100.2	30%	0.299	51%	0.512	S	S	.	.	H	α-helix	trans	-60	-46.1	176.8	0	0	0	0	0	113.1	Y65 A66 C67 L72 L73	Y65-G69 PolarHBondContact O-N 2.81Å; A66-G69 PolarHBondContact O-N 3.26Å; C67-G69 VanDerWaalsContact C-N 3.32Å; C67-G69 PolarHBondContact O-N 3.22Å; G69-L72 PolarHBondContact O-N 3.35Å; G69-L73 WeakPolarHBondContact O-CG 3.33Å; G69-L73 PolarHBondContact O-N 3.12Å
70	V	94.6	Very high	90.8	Very high	84 Å²	84	101.8 Å²	101.8	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-42.7	176.4	171.6	0	0	0	0	111.1	A66 C67 L72 L73 L74	A66-V70 WeakPolarHBondContact O-CG2 3.38Å; A66-V70 PolarHBondContact O-N 3.26Å; C67-V70 PolarHBondContact O-N 2.98Å; V70-L72 VanDerWaalsContact C-N 3.35Å; V70-L72 PolarHBondContact O-N 3.28Å; V70-L73 PolarHBondContact O-N 2.96Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CG 4.45Å; V70-L74 WeakPolarHBondContact O-CB 3.45Å; V70-L74 WeakPolarHBondContact O-CG 3.16Å; V70-L74 PolarHBondContact O-N 3.32Å
71	T	92.3	Very high	90.5	Very high	84 Å²	84	105.7 Å²	105.7	52%	0.515	53%	0.526	S	S	.	.	H	α-helix	trans	-64.2	-38	176.7	46.4	0	0	0	0	113	C67 I68 L74 F75	C67-T71 PolarHBondContact O-N 3.3Å; C67-T71 PolarHBondContact O-OG1 3.23Å; I68-T71 VanDerWaalsContact C-OG1 3.32Å; I68-T71 VanDerWaalsContact CA-OG1 3.29Å; I68-T71 WeakPolarHBondContact CA-OG1 3.29Å; I68-T71 PolarHBondContact O-N 3.16Å; I68-T71 PolarHBondContact O-OG1 2.82Å; T71-L74 PolarHBondContact O-N 3.32Å; T71-F75 WeakPolarHBondContact O-CB 3.37Å; T71-F75 PolarHBondContact O-N 2.76Å
72	L	94.2	Very high	90	Very high	103 Å²	103	102.3 Å²	102.3	54%	0.539	52%	0.519	S	S	.	.	H	α-helix	trans	-68.1	-40.1	175.7	-74.4	168.6	0	0	0	111.5	I68 G69 V70 F75 L76	I68-L72 HydrophobicContact CG2-CD1 3.91Å; I68-L72 HydrophobicContact CG2-CG 4.46Å; I68-L72 WeakPolarHBondContact O-CG 3.42Å; I68-L72 PolarHBondContact O-N 2.79Å; G69-L72 PolarHBondContact O-N 3.35Å; V70-L72 VanDerWaalsContact C-N 3.35Å; V70-L72 PolarHBondContact O-N 3.28Å; L72-F75 PolarHBondContact O-N 3.1Å; L72-L76 WeakPolarHBondContact O-CB 3.31Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 3.33Å
73	L	93.3	Very high	89.2	Confident	119 Å²	119	98 Å²	98	62%	0.623	52%	0.518	S	S	*	.	H	α-helix	trans	-64.1	-41.8	174.8	-75.4	168.5	0	0	0	112	G69 V70 F75 L76 W77	G69-L73 WeakPolarHBondContact O-CG 3.33Å; G69-L73 PolarHBondContact O-N 3.12Å; V70-L73 PolarHBondContact O-N 2.96Å; L73-F75 VanDerWaalsContact C-N 3.33Å; L73-F75 PolarHBondContact O-N 2.98Å; L73-L76 PolarHBondContact O-N 3.45Å; L73-W77 VanDerWaalsContact O-CB 3.26Å; L73-W77 WeakPolarHBondContact O-CB 3.35Å; L73-W77 PolarHBondContact O-N 3.37Å
74	L	92.6	Very high	88.1	Confident	104 Å²	104	100.2 Å²	100.2	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-63.1	-39.7	174.2	-75.2	168.3	0	0	0	111.8	V70 T71 W77 L78	V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CG 4.45Å; V70-L74 WeakPolarHBondContact O-CB 3.45Å; V70-L74 WeakPolarHBondContact O-CG 3.16Å; V70-L74 PolarHBondContact O-N 3.32Å; T71-L74 PolarHBondContact O-N 3.32Å; L74-W77 PolarHBondContact O-N 2.89Å; L74-L78 VanDerWaalsContact O-CB 3.32Å; L74-L78 WeakPolarHBondContact O-CB 3.17Å; L74-L78 PolarHBondContact O-N 3.39Å
75	F	92.3	Very high	86.4	Confident	151 Å²	151	98.3 Å²	98.3	66%	0.662	52%	0.522	S	S	*	.	H	α-helix	trans	-67.7	-41.3	177.2	-161.1	-88.7	0	0	0	112	T71 L72 L73 L78 A79	T71-F75 WeakPolarHBondContact O-CB 3.37Å; T71-F75 PolarHBondContact O-N 2.76Å; L72-F75 PolarHBondContact O-N 3.1Å; L73-F75 VanDerWaalsContact C-N 3.33Å; L73-F75 PolarHBondContact O-N 2.98Å; F75-L78 PolarHBondContact O-N 3.19Å; F75-A79 WeakPolarHBondContact O-CB 3.48Å; F75-A79 PolarHBondContact O-N 3.28Å
76	L	90.9	Very high	84.1	Confident	115 Å²	115	98.9 Å²	98.9	60%	0.602	54%	0.538	S	S	*	.	H	α-helix	trans	-66.3	-40.2	174.5	-72.5	171.2	0	0	0	112	L72 L73 A79 F80	L72-L76 WeakPolarHBondContact O-CB 3.31Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 3.33Å; L73-L76 PolarHBondContact O-N 3.45Å; L76-A79 PolarHBondContact O-N 3.29Å; L76-F80 WeakPolarHBondContact O-CB 3.34Å; L76-F80 PolarHBondContact O-N 3.04Å
77	W	88.4	Confident	81.6	Confident	163 Å²	163	106.7 Å²	106.7	62%	0.617	56%	0.555	S	S	*	*	H	α-helix	trans	-63.4	-43.1	174.5	-177.1	81.3	0	0	0	111.4	L73 L74 F80 Y81	L73-W77 VanDerWaalsContact O-CB 3.26Å; L73-W77 WeakPolarHBondContact O-CB 3.35Å; L73-W77 PolarHBondContact O-N 3.37Å; L74-W77 PolarHBondContact O-N 2.89Å; W77-F80 PolarHBondContact O-N 3.07Å; W77-Y81 VanDerWaalsContact O-CB 3.31Å; W77-Y81 WeakPolarHBondContact O-CB 3.27Å; W77-Y81 PolarHBondContact O-N 3.1Å
78	L	86.8	Confident	79	Confident	82 Å²	82	110.8 Å²	110.8	43%	0.429	57%	0.565	S	S	.	*	H	α-helix	trans	-64	-42.9	174.8	-172	70.8	0	0	0	111.7	L74 F75 F80 Y81 I82	L74-L78 VanDerWaalsContact O-CB 3.32Å; L74-L78 WeakPolarHBondContact O-CB 3.17Å; L74-L78 PolarHBondContact O-N 3.39Å; F75-L78 PolarHBondContact O-N 3.19Å; L78-F80 VanDerWaalsContact C-N 3.35Å; L78-F80 PolarHBondContact O-N 3.38Å; L78-Y81 PolarHBondContact O-N 3.4Å; L78-I82 HydrophobicContact CD1-CD1 4.49Å; L78-I82 HydrophobicContact CD2-CD1 4.48Å; L78-I82 HydrophobicContact CG-CD1 3.93Å; L78-I82 WeakPolarHBondContact O-CB 3.22Å; L78-I82 WeakPolarHBondContact O-CD1 3.4Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.03Å
79	A	84.6	Confident	76.4	Confident	49 Å²	49	112.4 Å²	112.4	41%	0.405	58%	0.583	S	S	.	*	H	α-helix	trans	-63.2	-40.5	176.5	0	0	0	0	0	112	F75 L76 S83	F75-A79 WeakPolarHBondContact O-CB 3.48Å; F75-A79 PolarHBondContact O-N 3.28Å; L76-A79 PolarHBondContact O-N 3.29Å; A79-S83 WeakPolarHBondContact O-CB 3.19Å; A79-S83 PolarHBondContact O-N 3.36Å
80	F	81.9	Confident	73.7	Confident	141 Å²	141	114.5 Å²	114.5	62%	0.618	60%	0.604	S	S	*	*	H	α-helix	trans	-65.6	-44.2	174	-173.4	-94	0	0	0	111.6	L76 W77 L78 I82 S83 D84	L76-F80 WeakPolarHBondContact O-CB 3.34Å; L76-F80 PolarHBondContact O-N 3.04Å; W77-F80 PolarHBondContact O-N 3.07Å; L78-F80 VanDerWaalsContact C-N 3.35Å; L78-F80 PolarHBondContact O-N 3.38Å; F80-I82 VanDerWaalsContact C-N 3.34Å; F80-I82 PolarHBondContact O-N 3.26Å; F80-S83 WeakPolarHBondContact O-CB 3.25Å; F80-S83 PolarHBondContact O-N 2.63Å; F80-S83 VanDerWaalsContact O-N 3.1Å; F80-D84 PolarHBondContact O-N 3.29Å
81	Y	79.2	Confident	70.9	Confident	148 Å²	148	115.8 Å²	115.8	58%	0.58	61%	0.613	S	S	*	*	H	α-helix	trans	-61.5	-41	176.8	-171.5	-94	0	0	0	112.2	W77 L78 S83 S85	W77-Y81 VanDerWaalsContact O-CB 3.31Å; W77-Y81 WeakPolarHBondContact O-CB 3.27Å; W77-Y81 PolarHBondContact O-N 3.1Å; L78-Y81 PolarHBondContact O-N 3.4Å; Y81-S83 VanDerWaalsContact C-N 3.34Å; Y81-S85 WeakPolarHBondContact O-CB 3.4Å; Y81-S85 PolarHBondContact O-N 3.22Å; Y81-S85 VanDerWaalsContact O-N 3.13Å; Y81-S85 PolarHBondContact O-OG 3.32Å
82	I	78.6	Confident	68.2	Low	84 Å²	84	117.4 Å²	117.4	43%	0.431	63%	0.627	S	S	.	*	H	α-helix	trans	-66	-38.2	173.9	-66.9	165.1	0	0	0	110.6	L78 F80 S85	L78-I82 HydrophobicContact CD1-CD1 4.49Å; L78-I82 HydrophobicContact CD2-CD1 4.48Å; L78-I82 HydrophobicContact CG-CD1 3.93Å; L78-I82 WeakPolarHBondContact O-CB 3.22Å; L78-I82 WeakPolarHBondContact O-CD1 3.4Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.03Å; F80-I82 VanDerWaalsContact C-N 3.34Å; F80-I82 PolarHBondContact O-N 3.26Å; I82-S85 PolarHBondContact O-OG 3.05Å
83	S	73.2	Confident	65.2	Low	102 Å²	102	119.5 Å²	119.5	71%	0.713	64%	0.637	S	S	*	*	H	α-helix	trans	-68.4	-32.6	179.5	-173.7	0	0	0	0	113.9	A79 F80 Y81	A79-S83 WeakPolarHBondContact O-CB 3.19Å; A79-S83 PolarHBondContact O-N 3.36Å; F80-S83 WeakPolarHBondContact O-CB 3.25Å; F80-S83 PolarHBondContact O-N 2.63Å; F80-S83 VanDerWaalsContact O-N 3.1Å; Y81-S83 VanDerWaalsContact C-N 3.34Å
84	D	67.5	Low	62.5	Low	125 Å²	125	118.4 Å²	118.4	67%	0.668	64%	0.64	S	S	*	*	H	α-helix	trans	-88.2	-19.2	-179.7	-149.8	27.1	0	0	0	112	F80 T86	F80-D84 PolarHBondContact O-N 3.29Å; D84-T86 PolarHBondContact O-N 2.84Å; D84-T86 VanDerWaalsContact O-N 3.12Å
85	S	56	Low	59.8	Low	44 Å²	44	118.4 Å²	118.4	31%	0.308	65%	0.646	S	S	.	*			trans	-71.4	107.2	170.8	69.4	0	0	0	0	110.2	Y81 I82 W87	Y81-S85 WeakPolarHBondContact O-CB 3.4Å; Y81-S85 PolarHBondContact O-N 3.22Å; Y81-S85 VanDerWaalsContact O-N 3.13Å; Y81-S85 PolarHBondContact O-OG 3.32Å; I82-S85 PolarHBondContact O-OG 3.05Å; S85-W87 PolarHBondContact O-N 3.05Å
86	T	46.5	Very low	57	Low	134 Å²	134	121.7 Å²	121.7	82%	0.822	66%	0.655	S	S	*	*			trans	-66.5	39.6	170.8	55.3	0	0	0	0	112.8	D84	D84-T86 PolarHBondContact O-N 2.84Å; D84-T86 VanDerWaalsContact O-N 3.12Å
87	W	40.2	Very low	54.5	Low	222 Å²	222	121.4 Å²	121.4	84%	0.841	66%	0.661	S	S	*	*			trans	-117	18	-170.9	-125.7	68.7	0	0	0	113.8	S85	S85-W87 PolarHBondContact O-N 3.05Å
88	F	40.6	Very low	51.6	Low	162 Å²	162	126 Å²	126	71%	0.711	68%	0.678	S	S	*	*			trans	-122.7	47.4	169.6	-85.2	-80.4	0	0	0	112.4
89	S	36.5	Very low	48.9	Very low	116 Å²	116	126.8 Å²	126.8	81%	0.811	69%	0.691	S	S	*	*			trans	-91.2	92.5	155.2	46.5	0	0	0	0	108.4
90	G	38.7	Very low	46.5	Very low	72 Å²	72	134.2 Å²	134.2	74%	0.742	71%	0.714	S	S	*	*			trans	148.5	35.6	166.2	0	0	0	0	0	118.8
91	V	35.7	Very low	44.2	Very low	112 Å²	112	133.9 Å²	133.9	68%	0.679	72%	0.723	S	S	*	*			trans	-130	92.4	162.1	-168.7	0	0	0	0	109.7	I93	V91-I93 HydrophobicContact CG1-CG1 4.3Å; V91-I93 PolarHBondContact O-N 3.27Å
92	S	34	Very low	41.8	Very low	117 Å²	117	137.3 Å²	137.3	82%	0.818	74%	0.735	S	S	*	*			trans	-69	104.6	166.5	170.4	0	0	0	0	108.6	S94	S92-S94 PolarHBondContact O-N 3.45Å
93	I	31.9	Very low	39.6	Very low	148 Å²	148	141 Å²	141	76%	0.759	76%	0.755	S	S	*	*			trans	-86.4	96.5	166	-61.8	168.8	0	0	0	106.3	V91 P95	V91-I93 HydrophobicContact CG1-CG1 4.3Å; V91-I93 PolarHBondContact O-N 3.27Å; I93-P95 WeakPolarHBondContact O-CD 3.48Å
94	S	36.8	Very low	37.4	Very low	96 Å²	96	146.9 Å²	146.9	67%	0.671	76%	0.761	S	S	*	*			trans	-72.9	120.4	168.7	169.5	0	0	0	0	109.4	S92	S92-S94 PolarHBondContact O-N 3.45Å
95	P	36.1	Very low	35.6	Very low	104 Å²	104	149.9 Å²	149.9	68%	0.675	77%	0.771	S	S	*	*			trans	-94.8	106.2	-176.9	33.6	-25.9	0	0	0	110	I93	I93-P95 WeakPolarHBondContact O-CD 3.48Å
96	Y	32.1	Very low	34.4	Very low	220 Å²	220	153.4 Å²	153.4	86%	0.863	79%	0.791	S	S	*	*			trans	-137.8	139.8	158.4	-97.4	-86.8	0	0	0	112.6
97	P	38.9	Very low	33.8	Very low	109 Å²	109	151.6 Å²	151.6	71%	0.708	78%	0.783	S	S	*	*			trans	-96.9	156.8	-151.1	25.4	-11.5	0	0	0	113.4	S99	P97-S99 PolarHBondContact O-N 3.3Å
98	W	27.1	Very low	33.4	Very low	258 Å²	258	147.5 Å²	147.5	98%	0.977	78%	0.778	S	S	*	*			trans	-37.9	96.3	173.6	-73.3	1.7	0	0	0	114	K100	W98-K100 PolarHBondContact O-N 2.75Å
99	S	31.7	Very low	33.2	Very low	100 Å²	100	147.5 Å²	147.5	70%	0.699	79%	0.785	S	S	*	*			trans	-76.5	112.5	158.1	66.5	0	0	0	0	107.9	P97 T101	P97-S99 PolarHBondContact O-N 3.3Å; S99-T101 PolarHBondContact O-N 2.84Å
100	K	33.8	Very low	33.2	Very low	205 Å²	205	148.8 Å²	148.8	89%	0.891	79%	0.789	S	S	*	*			trans	-46.4	104	165	-72.6	174.8	177.1	176.1	0	109.1	W98 R102	W98-K100 PolarHBondContact O-N 2.75Å; K100-R102 PolarHBondContact O-N 3.38Å
101	T	33.2	Very low	33.2	Very low	133 Å²	133	148.3 Å²	148.3	82%	0.816	78%	0.784	S	S	*	*			trans	-69.1	90.4	169	-36.4	0	0	0	0	106.7	S99 L103	S99-T101 PolarHBondContact O-N 2.84Å; T101-L103 PolarHBondContact O-N 2.67Å; T101-L103 VanDerWaalsContact O-N 3.07Å
102	R	27.9	Very low	33.3	Very low	221 Å²	221	149 Å²	149	83%	0.834	79%	0.788	S	S	*	*			trans	-50.9	113.6	165.8	-165.9	-173.3	-63.7	-154.1	1.8	105.9	K100 R104	K100-R102 PolarHBondContact O-N 3.38Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 3.04Å
103	L	33.4	Very low	33.9	Very low	161 Å²	161	147.4 Å²	147.4	84%	0.843	78%	0.782	S	S	*	*			trans	-48.5	99.4	171.8	-81.1	155.3	0	0	0	107.9	T101 H105	T101-L103 PolarHBondContact O-N 2.67Å; T101-L103 VanDerWaalsContact O-N 3.07Å; L103-H105 PolarHBondContact O-N 3.1Å; L103-H105 VanDerWaalsContact O-N 3.1Å
104	R	27.4	Very low	34.4	Very low	226 Å²	226	146.6 Å²	146.6	85%	0.853	78%	0.784	S	S	*	*			trans	-71.1	102.5	167.4	-95.3	-177.2	172.6	174.9	-2.2	105.3	R102 T106	R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 3.04Å; R104-T106 PolarHBondContact O-N 3.17Å
105	H	28.2	Very low	35.1	Very low	187 Å²	187	148.9 Å²	148.9	87%	0.866	79%	0.787	S	S	*	*			trans	-56.9	88.9	154.7	-82	-85.8	0	0	0	107.4	L103	L103-H105 PolarHBondContact O-N 3.1Å; L103-H105 VanDerWaalsContact O-N 3.1Å
106	T	32.2	Very low	36.1	Very low	119 Å²	119	153.4 Å²	153.4	73%	0.73	80%	0.796	S	S	*	*			trans	-90.1	104.3	159	40.3	0	0	0	0	105	R104	R104-T106 PolarHBondContact O-N 3.17Å
107	S	32.9	Very low	37.9	Very low	95 Å²	95	146.3 Å²	146.3	66%	0.664	78%	0.776	S	S	*	*			trans	-48.8	149.2	151.1	-167.7	0	0	0	0	108.1
108	D	32.1	Very low	40.3	Very low	136 Å²	136	145.1 Å²	145.1	73%	0.727	76%	0.764	S	S	*	*			trans	85.6	77.6	167.4	-46.3	-14.4	0	0	0	114.9
109	N	36.6	Very low	43.4	Very low	162 Å²	162	137.6 Å²	137.6	87%	0.866	74%	0.736	S	S	*	*				-160.9	109.5	120.1	-100	-25.9	0	0	0	109.5	G111	N109-G111 PolarHBondContact O-N 3.42Å
110	T	35.8	Very low	46.4	Very low	143 Å²	143	134.4 Å²	134.4	88%	0.877	71%	0.712	S	S	*	*			trans	-67.7	54.5	163.7	43.4	0	0	0	0	110.3	V112	T110-V112 VanDerWaalsContact C-N 3.33Å; T110-V112 PolarHBondContact O-N 3.02Å; T110-V112 VanDerWaalsContact O-N 3.16Å
111	G	38.5	Very low	49.3	Very low	63 Å²	63	126 Å²	126	65%	0.649	68%	0.675	S	S	*	*			trans	-76.9	92.2	159.2	0	0	0	0	0	106.6	N109 A113	N109-G111 PolarHBondContact O-N 3.42Å; G111-A113 PolarHBondContact O-N 2.79Å
112	V	39.3	Very low	52.3	Low	127 Å²	127	119.7 Å²	119.7	77%	0.77	64%	0.636	S	S	*	*			trans	-60.9	90.6	163.2	179.3	0	0	0	0	105.4	T110 T114	T110-V112 VanDerWaalsContact C-N 3.33Å; T110-V112 PolarHBondContact O-N 3.02Å; T110-V112 VanDerWaalsContact O-N 3.16Å; V112-T114 VanDerWaalsContact C-N 3.27Å; V112-T114 PolarHBondContact O-N 2.82Å
113	A	46.6	Very low	55.7	Low	83 Å²	83	109.2 Å²	109.2	69%	0.686	60%	0.597	S	S	*	*			trans	-54.9	103.4	166	0	0	0	0	0	104.9	G111 I115	G111-A113 PolarHBondContact O-N 2.79Å; A113-I115 PolarHBondContact O-N 3.16Å
114	T	42.6	Very low	58.7	Low	130 Å²	130	101.5 Å²	101.5	80%	0.798	56%	0.556	S	S	*	*			trans	-63.3	97.3	174.1	-9.5	0	0	0	0	103.6	V112 K116	V112-T114 VanDerWaalsContact C-N 3.27Å; V112-T114 PolarHBondContact O-N 2.82Å; T114-K116 PolarHBondContact O-N 2.74Å
115	I	51.3	Low	62.1	Low	145 Å²	145	90.8 Å²	90.8	74%	0.744	52%	0.516	S	S	*	.			trans	-59.3	98.4	174.4	-60.1	173.5	0	0	0	104	A113 T117	A113-I115 PolarHBondContact O-N 3.16Å; I115-T117 VanDerWaalsContact C-N 3.32Å; I115-T117 PolarHBondContact O-N 2.89Å
116	K	57.3	Low	65.4	Low	198 Å²	198	82.9 Å²	82.9	86%	0.861	48%	0.48	S	S	*	.			trans	-58.1	105	172.9	-168	178.1	-176.3	-179.6	0	104.5	T114 N118	T114-K116 PolarHBondContact O-N 2.74Å; K116-N118 PolarHBondContact O-N 2.81Å
117	T	69.8	Low	68.5	Low	71 Å²	71	77.3 Å²	77.3	44%	0.436	45%	0.446	S	S	.	.			trans	-58.8	115.2	-174.7	36	0	0	0	0	107.9	I115 Y119	I115-T117 VanDerWaalsContact C-N 3.32Å; I115-T117 PolarHBondContact O-N 2.89Å; T117-Y119 VanDerWaalsContact C-N 3.3Å; T117-Y119 PolarHBondContact O-N 3.01Å; T117-Y119 VanDerWaalsContact OG1-CE2 3.3Å; T117-Y119 WeakPolarHBondContact OG1-CE2 3.45Å
118	N	87.5	Confident	71.4	Confident	84 Å²	84	73.1 Å²	73.1	45%	0.449	42%	0.418	S	S	.	.			trans	-83.1	81.6	-178	-166.7	7.9	0	0	0	108.6	K116 V120 H141	K116-N118 PolarHBondContact O-N 2.81Å; N118-V120 PolarHBondContact O-N 3.02Å; N118-H141 HydrophobicContact CB-CB 4.5Å; N118-H141 PolarHBondContact O-N 3.45Å
119	Y	93.4	Very high	74.2	Confident	101 Å²	101	67.8 Å²	67.8	40%	0.396	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.9	174.5	-64.6	-61.6	0	0	0	110	T117 L139 I140 L153	T117-Y119 VanDerWaalsContact C-N 3.3Å; T117-Y119 PolarHBondContact O-N 3.01Å; T117-Y119 VanDerWaalsContact OG1-CE2 3.3Å; T117-Y119 WeakPolarHBondContact OG1-CE2 3.45Å; Y119-L139 CarbonylContact C-O 3.51Å; Y119-L139 WeakPolarHBondContact CA-O 3.13Å; Y119-I140 HydrophobicContact CD1-CG1 4.12Å; Y119-I140 HydrophobicContact CE1-CD1 4.44Å; Y119-I140 HydrophobicContact CE1-CG1 4Å; Y119-L153 HydrophobicContact CD1-CD1 3.96Å; Y119-L153 HydrophobicContact CE1-CD1 3.57Å
120	V	93.9	Very high	76.8	Confident	33 Å²	33	61.6 Å²	61.6	20%	0.2	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.6	174	-177	0	0	0	0	108.3	N118 L139 H141 M560	N118-V120 PolarHBondContact O-N 3.02Å; V120-L139 PolarHBondContact N-O 3.35Å; V120-L139 PolarHBondContact O-N 2.85Å; V120-H141 HydrophobicContact CG2-CB 3.68Å; V120-M560 HydrophobicContact CB-CE 4.39Å; V120-M560 HydrophobicContact CG1-CE 3.55Å; V120-M560 HydrophobicContact CG1-SD 4.35Å
121	Y	96.1	Very high	79.6	Confident	29 Å²	29	54.8 Å²	54.8	11%	0.114	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	154.3	178.5	-64.5	-95.1	0	0	0	109.7	F137 K138 L189 V193 P198	Y121-F137 VanDerWaalsContact CA-O 3.27Å; Y121-F137 WeakPolarHBondContact CA-O 3.43Å; Y121-K138 HydrophobicContact CD1-CB 4.13Å; Y121-K138 HydrophobicContact CD1-CG 4.22Å; Y121-K138 HydrophobicContact CE1-CB 3.9Å; Y121-K138 HydrophobicContact CE1-CD 3.95Å; Y121-K138 HydrophobicContact CE1-CG 3.63Å; Y121-K138 WeakPolarHBondContact OH-CE 3.07Å; Y121-L189 HydrophobicContact CD1-CD2 3.45Å; Y121-L189 VanDerWaalsContact CD1-CD2 3.45Å; Y121-L189 HydrophobicContact CE1-CD2 4.2Å; Y121-L189 HydrophobicContact CG-CD2 3.79Å; Y121-V193 HydrophobicContact CD2-CB 4.32Å; Y121-V193 HydrophobicContact CD2-CG2 3.88Å; Y121-V193 HydrophobicContact CE2-CG1 4.39Å; Y121-V193 HydrophobicContact CE2-CG2 4.01Å; Y121-V193 HydrophobicContact CG-CG2 4.33Å; Y121-P198 WeakPolarHBondContact O-CD 3.44Å
122	G	96.4	Very high	82.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	141.9	171.5	0	0	0	0	0	111	F137	G122-F137 PolarHBondContact N-O 3.19Å; G122-F137 VanDerWaalsContact N-O 3.13Å; G122-F137 PolarHBondContact O-N 2.83Å
123	V	97.7	Very high	85.2	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.4	178.5	179.7	0	0	0	0	109	F125 V134 H135 I136 A185 L189 T197 P198 V199 I200 F231	V123-F125 HydrophobicContact CG1-CD2 4.01Å; V123-F125 HydrophobicContact CG1-CE2 3.54Å; V123-F125 HydrophobicContact CG1-CZ 4.34Å; V123-V134 HydrophobicContact CG1-CG2 3.65Å; V123-H135 WeakPolarHBondContact CA-O 3.4Å; V123-I136 HydrophobicContact CG2-CG1 4.28Å; V123-I136 HydrophobicContact CG2-CG2 4.32Å; V123-A185 HydrophobicContact CG1-CB 4.03Å; V123-A185 HydrophobicContact CG2-CB 4.41Å; V123-L189 HydrophobicContact CG2-CD1 4.36Å; V123-T197 HydrophobicContact CG2-CG2 3.89Å; V123-P198 PolarHBondContact N-O 3.17Å; V123-V199 HydrophobicContact CB-CB 4.39Å; V123-V199 HydrophobicContact CB-CG2 4.21Å; V123-V199 HydrophobicContact CG1-CG2 4.07Å; V123-V199 WeakPolarHBondContact O-CA 3.23Å; V123-I200 PolarHBondContact O-N 3.35Å; V123-F231 HydrophobicContact CG2-CD1 4.3Å; V123-F231 HydrophobicContact CG2-CE1 3.89Å; V123-F231 HydrophobicContact CG2-CZ 4.3Å
124	V	97.9	Very high	87.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.2	178.7	-177.6	0	0	0	0	109.4	V134 H135 F137 I200 W551 L556	V124-V134 CarbonylContact O-C 3.59Å; V124-V134 WeakPolarHBondContact O-CA 3.46Å; V124-H135 PolarHBondContact N-O 2.91Å; V124-H135 PolarHBondContact O-N 3.18Å; V124-F137 HydrophobicContact CB-CE2 4.26Å; V124-F137 HydrophobicContact CG2-CD2 4.25Å; V124-F137 HydrophobicContact CG2-CE2 3.93Å; V124-I200 CarbonylContact C-O 3.55Å; V124-I200 WeakPolarHBondContact CA-O 3.42Å; V124-I200 HydrophobicContact CB-CG1 4.2Å; V124-I200 HydrophobicContact CG1-CD1 4.16Å; V124-I200 HydrophobicContact CG1-CG1 4Å; V124-I200 HydrophobicContact CG2-CD1 3.98Å; V124-I200 HydrophobicContact CG2-CG1 3.81Å; V124-W551 HydrophobicContact CG1-CH2 4.01Å; V124-W551 HydrophobicContact CG1-CZ3 3.78Å; V124-L556 HydrophobicContact CG2-CB 3.8Å; V124-L556 HydrophobicContact CG2-CD1 4.48Å
125	F	98.2	Very high	90.2	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.2	170.3	-70.9	-99.3	0	0	0	110.3	V123 R133 V134 L181 I182 V199 I200 L201 R202 L226	V123-F125 HydrophobicContact CG1-CD2 4.01Å; V123-F125 HydrophobicContact CG1-CE2 3.54Å; V123-F125 HydrophobicContact CG1-CZ 4.34Å; F125-R133 CarbonylContact C-O 3.54Å; F125-R133 VanDerWaalsContact CA-O 3.24Å; F125-R133 WeakPolarHBondContact CA-O 3.34Å; F125-V134 HydrophobicContact CD1-CB 3.92Å; F125-V134 HydrophobicContact CD1-CG2 4Å; F125-V134 HydrophobicContact CD2-CG2 4.13Å; F125-V134 HydrophobicContact CE1-CB 3.8Å; F125-V134 HydrophobicContact CE1-CG2 3.72Å; F125-V134 HydrophobicContact CE2-CG2 3.84Å; F125-V134 HydrophobicContact CG-CB 4.46Å; F125-V134 HydrophobicContact CG-CG2 4.19Å; F125-V134 HydrophobicContact CZ-CB 4.23Å; F125-V134 HydrophobicContact CZ-CG2 3.63Å; F125-L181 HydrophobicContact CD1-CB 4.43Å; F125-L181 HydrophobicContact CD1-CD1 4.45Å; F125-L181 HydrophobicContact CE1-CB 3.66Å; F125-L181 HydrophobicContact CE1-CD1 4.45Å; F125-I182 HydrophobicContact CE1-CG1 4.13Å; F125-I182 HydrophobicContact CZ-CG1 3.72Å; F125-V199 HydrophobicContact CD2-CG2 3.85Å; F125-V199 HydrophobicContact CE2-CG2 3.72Å; F125-I200 PolarHBondContact N-O 3.28Å; F125-L201 HydrophobicContact CB-CB 3.83Å; F125-L201 HydrophobicContact CB-CD1 3.6Å; F125-L201 HydrophobicContact CB-CG 3.67Å; F125-L201 HydrophobicContact CG-CD1 4.21Å; F125-L201 WeakPolarHBondContact O-CA 3.45Å; F125-R202 PolarHBondContact O-N 3.06Å; F125-L226 HydrophobicContact CE2-CD2 4.21Å
126	D	97.4	Very high	92.4	Very high	20 Å²	20	31.4 Å²	31.4	11%	0.107	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	108.6	168.1	172.7	8.8	0	0	0	108.9	G128 S132 R133 W551	D126-G128 VanDerWaalsContact C-N 3.35Å; D126-G128 PolarHBondContact O-N 3.07Å; D126-G128 PolarHBondContact OD1-N 3.01Å; D126-G128 VanDerWaalsContact OD1-N 3.11Å; D126-S132 CarbonylContact O-C 3.59Å; D126-S132 VanDerWaalsContact O-CA 3.24Å; D126-S132 WeakPolarHBondContact O-CA 3.23Å; D126-R133 HydrophobicContact CB-CB 4.27Å; D126-R133 PolarHBondContact N-O 3.34Å; D126-R133 PolarHBondContact O-N 3Å; D126-W551 HydrophobicContact CB-CH2 3.94Å; D126-W551 HydrophobicContact CB-CZ2 3.35Å; D126-W551 WeakPolarHBondContact OD1-CZ2 3.34Å
127	A	97.1	Very high	94.3	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.017	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	75.1	170.9	0	0	0	0	0	110.7	L164 L201 R202 A203 T204	A127-L164 HydrophobicContact CB-CD1 3.5Å; A127-L164 VanDerWaalsContact CB-CD1 3.5Å; A127-L164 HydrophobicContact CB-CG 3.92Å; A127-L201 HydrophobicContact CB-CD2 3.93Å; A127-L201 HydrophobicContact CB-CG 4.37Å; A127-R202 PolarHBondContact N-O 2.9Å; A127-A203 HydrophobicContact CB-CB 3.99Å; A127-T204 PolarHBondContact O-N 3.19Å; A127-T204 VanDerWaalsContact O-N 3.09Å
128	G	94.3	Very high	95.6	Very high	7 Å²	7	21.6 Å²	21.6	7%	0.072	11%	0.106	C	C	.	.			trans	-66.8	163.7	175.7	0	0	0	0	0	114.6	D126 T130 G131 T204	D126-G128 VanDerWaalsContact C-N 3.35Å; D126-G128 PolarHBondContact O-N 3.07Å; D126-G128 PolarHBondContact OD1-N 3.01Å; D126-G128 VanDerWaalsContact OD1-N 3.11Å; G128-T130 VanDerWaalsContact C-N 3.33Å; G128-T130 PolarHBondContact O-N 2.99Å; G128-G131 CarbonylContact C-O 3.58Å; G128-G131 VanDerWaalsContact CA-O 3.26Å; G128-G131 WeakPolarHBondContact CA-O 3.28Å; G128-G131 PolarHBondContact N-O 2.94Å; G128-T204 WeakPolarHBondContact CA-OG1 3.49Å
129	S	90.2	Very high	96	Very high	25 Å²	25	17.6 Å²	17.6	18%	0.175	9%	0.085	C	C	.	.	S	Bend	trans	-68	-28.4	179.8	62.5	0	0	0	0	113.9	G288 G289	S129-G288 WeakPolarHBondContact OG-CA 3.21Å; S129-G288 PolarHBondContact OG-N 3.02Å; S129-G289 PolarHBondContact OG-N 3.19Å
130	T	91.3	Very high	96	Very high	32 Å²	32	15.1 Å²	15.1	20%	0.196	8%	0.078	C	C	.	.	S	Bend	trans	-105	-7	-177.6	60.3	0	0	0	0	113.8	G128 Q161 M338 Y473	G128-T130 VanDerWaalsContact C-N 3.33Å; G128-T130 PolarHBondContact O-N 2.99Å; T130-Q161 WeakPolarHBondContact O-CG 3.42Å; T130-M338 HydrophobicContact CG2-CG 3.86Å; T130-Y473 HydrophobicContact CG2-CE2 4.42Å; T130-Y473 WeakPolarHBondContact CG2-OH 3.4Å; T130-Y473 PolarHBondContact OG1-OH 2.81Å
131	G	94.6	Very high	95.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.			trans	176.9	179.7	177.2	0	0	0	0	0	111.3	G128 R133 V160 G163	G128-G131 CarbonylContact C-O 3.58Å; G128-G131 VanDerWaalsContact CA-O 3.26Å; G128-G131 WeakPolarHBondContact CA-O 3.28Å; G128-G131 PolarHBondContact N-O 2.94Å; G131-R133 PolarHBondContact O-NH1 3.08Å; G131-V160 CarbonylContact C-O 3.37Å; G131-V160 WeakPolarHBondContact CA-O 3.04Å; G131-G163 VanDerWaalsContact CA-CA 3.44Å
132	S	97.8	Very high	95.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.007	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.4	171.1	-62.2	0	0	0	0	111.1	D126 H159 V160	D126-S132 CarbonylContact O-C 3.59Å; D126-S132 VanDerWaalsContact O-CA 3.24Å; D126-S132 WeakPolarHBondContact O-CA 3.23Å; S132-H159 CarbonylContact O-C 3.44Å; S132-H159 VanDerWaalsContact O-CA 3.23Å; S132-H159 WeakPolarHBondContact O-CA 3.46Å; S132-H159 WeakPolarHBondContact O-CB 3.18Å; S132-V160 PolarHBondContact N-O 3Å; S132-V160 PolarHBondContact O-N 3.2Å
133	R	97.1	Very high	94.7	Very high	47 Å²	47	22.4 Å²	22.4	18%	0.177	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	158.1	176.5	-55.8	100.1	173.2	100.5	3	111	F125 D126 G131 F157 H158 H159	F125-R133 CarbonylContact C-O 3.54Å; F125-R133 VanDerWaalsContact CA-O 3.24Å; F125-R133 WeakPolarHBondContact CA-O 3.34Å; D126-R133 HydrophobicContact CB-CB 4.27Å; D126-R133 PolarHBondContact N-O 3.34Å; D126-R133 PolarHBondContact O-N 3Å; G131-R133 PolarHBondContact O-NH1 3.08Å; R133-F157 HydrophobicContact CB-CD2 4.36Å; R133-F157 HydrophobicContact CB-CE2 3.6Å; R133-F157 HydrophobicContact CB-CZ 4.25Å; R133-F157 HydrophobicContact CG-CE2 3.6Å; R133-F157 HydrophobicContact CG-CZ 3.76Å; R133-H158 CarbonylContact C-O 3.59Å; R133-H158 VanDerWaalsContact CA-O 3.25Å; R133-H158 WeakPolarHBondContact CA-O 3.39Å; R133-H159 HydrophobicContact CB-CB 4.27Å; R133-H159 HydrophobicContact CG-CB 3.52Å
134	V	98	Very high	94	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.6	168.9	69.6	0	0	0	0	109.3	V123 V124 F125 I136 F157 H158 L181 A185	V123-V134 HydrophobicContact CG1-CG2 3.65Å; V124-V134 CarbonylContact O-C 3.59Å; V124-V134 WeakPolarHBondContact O-CA 3.46Å; F125-V134 HydrophobicContact CD1-CB 3.92Å; F125-V134 HydrophobicContact CD1-CG2 4Å; F125-V134 HydrophobicContact CD2-CG2 4.13Å; F125-V134 HydrophobicContact CE1-CB 3.8Å; F125-V134 HydrophobicContact CE1-CG2 3.72Å; F125-V134 HydrophobicContact CE2-CG2 3.84Å; F125-V134 HydrophobicContact CG-CB 4.46Å; F125-V134 HydrophobicContact CG-CG2 4.19Å; F125-V134 HydrophobicContact CZ-CB 4.23Å; F125-V134 HydrophobicContact CZ-CG2 3.63Å; V134-I136 HydrophobicContact CG1-CD1 3.94Å; V134-I136 HydrophobicContact CG2-CD1 4.05Å; V134-I136 HydrophobicContact CG2-CG1 4.44Å; V134-F157 WeakPolarHBondContact O-CA 3.44Å; V134-H158 HydrophobicContact CG1-CB 4.06Å; V134-H158 PolarHBondContact N-O 3.32Å; V134-H158 PolarHBondContact O-N 3.49Å; V134-H158 VanDerWaalsContact O-N 3.11Å; V134-L181 HydrophobicContact CB-CB 4.14Å; V134-L181 HydrophobicContact CB-CD1 4.4Å; V134-L181 HydrophobicContact CG1-CB 3.91Å; V134-L181 HydrophobicContact CG1-CD2 3.96Å; V134-L181 HydrophobicContact CG1-CG 4.34Å; V134-A185 HydrophobicContact CG2-CB 4.08Å
135	H	97.7	Very high	93	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.5	168.7	-70	-89.7	0	0	0	109	V123 V124 F137 D155 K156 F157 N550 S552	V123-H135 WeakPolarHBondContact CA-O 3.4Å; V124-H135 PolarHBondContact N-O 2.91Å; V124-H135 PolarHBondContact O-N 3.18Å; H135-F137 HydrophobicContact CB-CD2 4.17Å; H135-F137 HydrophobicContact CB-CE1 4.16Å; H135-F137 HydrophobicContact CB-CE2 3.5Å; H135-F137 VanDerWaalsContact CB-CE2 3.5Å; H135-F137 HydrophobicContact CB-CZ 3.5Å; H135-F137 VanDerWaalsContact CB-CZ 3.5Å; H135-F137 AromaticContact CG-CZ 3.87Å; H135-D155 IonicContact CG-OD1 3.43Å; H135-D155 IonicContact ND1-OD1 2.75Å; H135-D155 PolarHBondContact ND1-OD1 3.11Å; H135-D155 IonicContact ND1-OD2 3.38Å; H135-D155 PolarHBondContact ND1-OD2 2.94Å; H135-K156 CarbonylContact C-O 3.37Å; H135-K156 WeakPolarHBondContact CA-O 3.26Å; H135-F157 AromaticContact CE1-CD2 3.17Å; H135-F157 WeakPolarHBondContact CE1-CD2 3.37Å; H135-F157 AromaticContact CE1-CE2 3.73Å; H135-F157 AromaticContact ND1-CD2 3.84Å; H135-F157 AromaticContact NE2-CD2 3.35Å; H135-F157 WeakPolarHBondContact NE2-CD2 3.41Å; H135-F157 AromaticContact NE2-CE2 3.53Å; H135-N550 PolarHBondContact CE1-ND2 3.35Å; H135-N550 PolarHBondContact NE2-ND2 2.02Å; H135-S552 PolarHBondContact CD2-OG 3.24Å
136	I	97.5	Very high	91.7	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	103.6	173.1	-54.1	89.3	0	0	0	107.4	V123 V134 K156 A185 L189	V123-I136 HydrophobicContact CG2-CG1 4.28Å; V123-I136 HydrophobicContact CG2-CG2 4.32Å; V134-I136 HydrophobicContact CG1-CD1 3.94Å; V134-I136 HydrophobicContact CG2-CD1 4.05Å; V134-I136 HydrophobicContact CG2-CG1 4.44Å; I136-K156 HydrophobicContact CB-CB 4.24Å; I136-K156 HydrophobicContact CD1-CB 4.2Å; I136-K156 WeakPolarHBondContact CD1-O 3.44Å; I136-K156 PolarHBondContact N-O 3.34Å; I136-K156 PolarHBondContact O-N 3.16Å; I136-A185 HydrophobicContact CD1-CB 4.04Å; I136-A185 HydrophobicContact CG1-CB 3.76Å; I136-L189 HydrophobicContact CG2-CD2 3.92Å; I136-L189 HydrophobicContact CG2-CG 4.39Å
137	F	97.1	Very high	90.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.5	-177.4	-61.6	-67.6	0	0	0	110.9	Y121 G122 V124 H135 L139 L152 D154 D155 L553 L556	Y121-F137 VanDerWaalsContact CA-O 3.27Å; Y121-F137 WeakPolarHBondContact CA-O 3.43Å; G122-F137 PolarHBondContact N-O 3.19Å; G122-F137 VanDerWaalsContact N-O 3.13Å; G122-F137 PolarHBondContact O-N 2.83Å; V124-F137 HydrophobicContact CB-CE2 4.26Å; V124-F137 HydrophobicContact CG2-CD2 4.25Å; V124-F137 HydrophobicContact CG2-CE2 3.93Å; H135-F137 HydrophobicContact CB-CD2 4.17Å; H135-F137 HydrophobicContact CB-CE1 4.16Å; H135-F137 HydrophobicContact CB-CE2 3.5Å; H135-F137 VanDerWaalsContact CB-CE2 3.5Å; H135-F137 HydrophobicContact CB-CZ 3.5Å; H135-F137 VanDerWaalsContact CB-CZ 3.5Å; H135-F137 AromaticContact CG-CZ 3.87Å; F137-L139 HydrophobicContact CB-CD1 3.82Å; F137-L152 HydrophobicContact CB-CD1 4.21Å; F137-L152 HydrophobicContact CD1-CD1 3.73Å; F137-L152 HydrophobicContact CG-CD1 4.4Å; F137-D154 WeakPolarHBondContact CA-O 3.41Å; F137-D155 HydrophobicContact CD1-CB 3.89Å; F137-D155 HydrophobicContact CE1-CB 3.91Å; F137-D155 WeakPolarHBondContact CE1-OD1 3.43Å; F137-L553 HydrophobicContact CD1-CD1 4.01Å; F137-L553 HydrophobicContact CD2-CD1 4.42Å; F137-L553 HydrophobicContact CE1-CB 4.07Å; F137-L553 HydrophobicContact CE1-CD1 4.12Å; F137-L553 HydrophobicContact CE2-CB 4.37Å; F137-L553 HydrophobicContact CG-CD1 4.14Å; F137-L553 HydrophobicContact CZ-CB 3.83Å; F137-L553 HydrophobicContact CZ-CD1 4.36Å; F137-L556 HydrophobicContact CB-CD2 3.96Å; F137-L556 HydrophobicContact CD2-CD2 3.6Å; F137-L556 HydrophobicContact CE2-CD2 4.48Å; F137-L556 HydrophobicContact CG-CD2 4.11Å
138	K	96.4	Very high	89.6	Confident	60 Å²	60	43.8 Å²	43.8	26%	0.261	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.8	165.4	-176.8	-178.6	-179.9	-179.1	0	108.6	Y121 L153 D154	Y121-K138 HydrophobicContact CD1-CB 4.13Å; Y121-K138 HydrophobicContact CD1-CG 4.22Å; Y121-K138 HydrophobicContact CE1-CB 3.9Å; Y121-K138 HydrophobicContact CE1-CD 3.95Å; Y121-K138 HydrophobicContact CE1-CG 3.63Å; Y121-K138 WeakPolarHBondContact OH-CE 3.07Å; K138-L153 HydrophobicContact CD-CD1 4.46Å; K138-L153 HydrophobicContact CG-CB 4.42Å; K138-L153 HydrophobicContact CG-CD1 4.43Å; K138-L153 WeakPolarHBondContact O-CB 3.29Å; K138-L153 PolarHBondContact O-N 3.24Å; K138-D154 HydrophobicContact CB-CB 3.97Å; K138-D154 PolarHBondContact N-O 2.92Å; K138-D154 PolarHBondContact O-N 3.14Å
139	L	94.9	Very high	89.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.9	-177.3	-52.3	101.8	0	0	0	111.1	Y119 V120 F137 F150 T151 L152 L553 L556 F557	Y119-L139 CarbonylContact C-O 3.51Å; Y119-L139 WeakPolarHBondContact CA-O 3.13Å; V120-L139 PolarHBondContact N-O 3.35Å; V120-L139 PolarHBondContact O-N 2.85Å; F137-L139 HydrophobicContact CB-CD1 3.82Å; L139-F150 HydrophobicContact CD2-CB 4.13Å; L139-T151 CarbonylContact C-O 3.49Å; L139-T151 VanDerWaalsContact CA-O 3.23Å; L139-T151 WeakPolarHBondContact CA-O 3.09Å; L139-L152 HydrophobicContact CD2-CD1 4.48Å; L139-L152 HydrophobicContact CG-CD1 4.24Å; L139-L553 HydrophobicContact CD2-CD1 4.22Å; L139-L556 HydrophobicContact CD1-CD2 4.1Å; L139-F557 HydrophobicContact CD2-CE1 3.46Å; L139-F557 VanDerWaalsContact CD2-CE1 3.46Å; L139-F557 HydrophobicContact CD2-CZ 3.65Å
140	I	93.4	Very high	89.1	Confident	50 Å²	50	43.6 Å²	43.6	26%	0.256	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.7	159	-64.6	175.1	0	0	0	107.5	Y119 F150 T151 L153	Y119-I140 HydrophobicContact CD1-CG1 4.12Å; Y119-I140 HydrophobicContact CE1-CD1 4.44Å; Y119-I140 HydrophobicContact CE1-CG1 4Å; I140-F150 WeakPolarHBondContact O-CA 3.27Å; I140-T151 PolarHBondContact N-O 3.39Å; I140-T151 PolarHBondContact O-N 3.31Å; I140-L153 HydrophobicContact CD1-CD1 3.82Å; I140-L153 HydrophobicContact CD1-CD2 3.89Å; I140-L153 HydrophobicContact CD1-CG 4.15Å; I140-L153 HydrophobicContact CG1-CD1 3.55Å; I140-L153 HydrophobicContact CG1-CD2 4.21Å; I140-L153 HydrophobicContact CG1-CG 3.93Å
141	H	90.4	Very high	89.1	Confident	56 Å²	56	44.7 Å²	44.7	26%	0.259	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.2	168.2	-179.3	-143.3	0	0	0	110.2	N118 V120 P149 F150	N118-H141 HydrophobicContact CB-CB 4.5Å; N118-H141 PolarHBondContact O-N 3.45Å; V120-H141 HydrophobicContact CG2-CB 3.68Å; H141-P149 CarbonylContact C-O 3.46Å; H141-P149 WeakPolarHBondContact CA-O 3.34Å; H141-P149 PolarHBondContact CD2-O 3.02Å; H141-F150 HydrophobicContact CB-CD1 3.99Å; H141-F150 HydrophobicContact CB-CE1 3.72Å; H141-F150 AromaticContact CD2-CD1 3.86Å; H141-F150 AromaticContact CD2-CE1 3.28Å; H141-F150 WeakPolarHBondContact CD2-CE1 3.49Å; H141-F150 AromaticContact CD2-CZ 3.53Å; H141-F150 AromaticContact CG-CE1 3.56Å; H141-F150 AromaticContact NE2-CZ 3.91Å
142	N	87.9	Confident	89.1	Confident	68 Å²	68	45.3 Å²	45.3	36%	0.364	24%	0.237	S	C	.	.			trans	-115.7	91.9	172.7	-179.3	15.6	0	0	0	109.9	L144 D145 P149	N142-L144 PolarHBondContact O-N 3.42Å; N142-L144 WeakPolarHBondContact OD1-CB 3.04Å; N142-L144 PolarHBondContact OD1-N 2.94Å; N142-D145 PolarHBondContact O-N 3.25Å; N142-P149 PolarHBondContact N-O 2.93Å; N142-P149 WeakPolarHBondContact O-CA 3.48Å
143	P	81.7	Confident	88.9	Confident	90 Å²	90	48.6 Å²	48.6	58%	0.584	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.1	-179.3	28.5	-35.7	0	0	0	113.5
144	L	82.5	Confident	88.8	Confident	152 Å²	152	49.7 Å²	49.7	80%	0.796	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.5	178.7	-56.6	176.5	0	0	0	113.1	N142 P146	N142-L144 PolarHBondContact O-N 3.42Å; N142-L144 WeakPolarHBondContact OD1-CB 3.04Å; N142-L144 PolarHBondContact OD1-N 2.94Å; L144-P146 VanDerWaalsContact O-CD 3.23Å; L144-P146 WeakPolarHBondContact O-CD 3.49Å
145	D	78.2	Confident	88.6	Confident	55 Å²	55	50.7 Å²	50.7	29%	0.294	27%	0.269	S	S	.	.			trans	-102.5	96.2	173.8	-172	-17.3	0	0	0	110	N142 F147 K148 P149	N142-D145 PolarHBondContact O-N 3.25Å; D145-F147 PolarHBondContact O-N 3.45Å; D145-F147 WeakPolarHBondContact OD1-CA 3.39Å; D145-F147 WeakPolarHBondContact OD1-CB 3.35Å; D145-F147 PolarHBondContact OD1-N 2.89Å; D145-K148 CarbonylContact O-C 3.48Å; D145-K148 PolarHBondContact O-N 2.93Å; D145-K148 PolarHBondContact OD1-N 3.3Å; D145-P149 VanDerWaalsContact O-CA 3.28Å; D145-P149 WeakPolarHBondContact O-CA 3.39Å; D145-P149 WeakPolarHBondContact O-CB 3.31Å; D145-P149 WeakPolarHBondContact O-CD 3.33Å; D145-P149 VanDerWaalsContact O-N 3.07Å
146	P	71	Confident	88.5	Confident	93 Å²	93	54.2 Å²	54.2	60%	0.604	28%	0.284	S	S	*	.	S	Bend	trans	-70.5	-12	179.7	30	-35.9	0	0	0	113.2	L144	L144-P146 VanDerWaalsContact O-CD 3.23Å; L144-P146 WeakPolarHBondContact O-CD 3.49Å
147	F	70.7	Confident	88.4	Confident	114 Å²	114	56.5 Å²	56.5	50%	0.5	29%	0.294	S	S	.	.	S	Bend	trans	-94.2	-27.8	178.9	-59	-82	0	0	0	112	D145 Q317	D145-F147 PolarHBondContact O-N 3.45Å; D145-F147 WeakPolarHBondContact OD1-CA 3.39Å; D145-F147 WeakPolarHBondContact OD1-CB 3.35Å; D145-F147 PolarHBondContact OD1-N 2.89Å; F147-Q317 VanDerWaalsContact CD1-NE2 3.33Å
148	K	79.6	Confident	88.4	Confident	58 Å²	58	60.2 Å²	60.2	25%	0.252	31%	0.311	S	S	.	.			trans	-147	71.8	178.4	-167.3	177.1	178.8	177.5	0	111	D145 F150 F256 N259	D145-K148 CarbonylContact O-C 3.48Å; D145-K148 PolarHBondContact O-N 2.93Å; D145-K148 PolarHBondContact OD1-N 3.3Å; K148-F150 WeakPolarHBondContact CG-O 3.34Å; K148-F150 PolarHBondContact O-N 2.84Å; K148-F256 HydrophobicContact CG-CE2 4.32Å; K148-N259 PolarHBondContact NZ-OD1 3.36Å
149	P	83.4	Confident	88.4	Confident	16 Å²	16	62.2 Å²	62.2	10%	0.104	32%	0.321	C	S	.	.			trans	-71.9	-15.7	-175.7	29.4	-36.3	0	0	0	112.6	H141 N142 D145 Y561	H141-P149 CarbonylContact C-O 3.46Å; H141-P149 WeakPolarHBondContact CA-O 3.34Å; H141-P149 PolarHBondContact CD2-O 3.02Å; N142-P149 PolarHBondContact N-O 2.93Å; N142-P149 WeakPolarHBondContact O-CA 3.48Å; D145-P149 VanDerWaalsContact O-CA 3.28Å; D145-P149 WeakPolarHBondContact O-CA 3.39Å; D145-P149 WeakPolarHBondContact O-CB 3.31Å; D145-P149 WeakPolarHBondContact O-CD 3.33Å; D145-P149 VanDerWaalsContact O-N 3.07Å; P149-Y561 HydrophobicContact CG-CE1 3.83Å; P149-Y561 WeakPolarHBondContact CG-OH 3.35Å
150	F	89.8	Confident	88.5	Confident	12 Å²	12	63.2 Å²	63.2	5%	0.053	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.6	176.6	-61.6	-76	0	0	0	111.6	L139 I140 H141 K148 F256 F557 M560 Y561	L139-F150 HydrophobicContact CD2-CB 4.13Å; I140-F150 WeakPolarHBondContact O-CA 3.27Å; H141-F150 HydrophobicContact CB-CD1 3.99Å; H141-F150 HydrophobicContact CB-CE1 3.72Å; H141-F150 AromaticContact CD2-CD1 3.86Å; H141-F150 AromaticContact CD2-CE1 3.28Å; H141-F150 WeakPolarHBondContact CD2-CE1 3.49Å; H141-F150 AromaticContact CD2-CZ 3.53Å; H141-F150 AromaticContact CG-CE1 3.56Å; H141-F150 AromaticContact NE2-CZ 3.91Å; K148-F150 WeakPolarHBondContact CG-O 3.34Å; K148-F150 PolarHBondContact O-N 2.84Å; F150-F256 WeakPolarHBondContact O-CE2 3.42Å; F150-F256 VanDerWaalsContact O-CZ 3.22Å; F150-F256 WeakPolarHBondContact O-CZ 3.39Å; F150-F557 HydrophobicContact CB-CE1 3.5Å; F150-F557 VanDerWaalsContact CB-CE1 3.5Å; F150-F557 HydrophobicContact CB-CZ 3.78Å; F150-F557 HydrophobicContact CD1-CE1 4.4Å; F150-F557 AromaticContact CD2-CD1 3.99Å; F150-F557 HydrophobicContact CD2-CD1 3.99Å; F150-F557 AromaticContact CD2-CE1 3.73Å; F150-F557 HydrophobicContact CD2-CE1 3.73Å; F150-F557 HydrophobicContact CG-CD1 4.29Å; F150-F557 AromaticContact CG-CE1 3.61Å; F150-F557 HydrophobicContact CG-CE1 3.61Å; F150-F557 HydrophobicContact CG-CZ 4.38Å; F150-M560 HydrophobicContact CD1-CE 3.9Å; F150-M560 HydrophobicContact CE1-CE 3.23Å; F150-M560 HydrophobicContact CE2-CE 4.33Å; F150-M560 HydrophobicContact CZ-CE 3.51Å; F150-Y561 HydrophobicContact CD2-CE1 4.42Å; F150-Y561 HydrophobicContact CD2-CE2 4.16Å; F150-Y561 AromaticContact CD2-CZ 3.79Å; F150-Y561 AromaticContact CE2-CE1 3.93Å; F150-Y561 HydrophobicContact CE2-CE1 3.93Å; F150-Y561 HydrophobicContact CE2-CE2 4.09Å; F150-Y561 AromaticContact CE2-CZ 3.7Å
151	T	91.7	Very high	88.6	Confident	56 Å²	56	67.4 Å²	67.4	34%	0.344	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.6	168.7	-66.5	0	0	0	0	108.9	L139 I140	L139-T151 CarbonylContact C-O 3.49Å; L139-T151 VanDerWaalsContact CA-O 3.23Å; L139-T151 WeakPolarHBondContact CA-O 3.09Å; I140-T151 PolarHBondContact N-O 3.39Å; I140-T151 PolarHBondContact O-N 3.31Å
152	L	94	Very high	88.7	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.063	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.7	176.1	-176.3	64.1	0	0	0	109.9	F137 L139 D154 F256 L257 F547 L553	F137-L152 HydrophobicContact CB-CD1 4.21Å; F137-L152 HydrophobicContact CD1-CD1 3.73Å; F137-L152 HydrophobicContact CG-CD1 4.4Å; L139-L152 HydrophobicContact CD2-CD1 4.48Å; L139-L152 HydrophobicContact CG-CD1 4.24Å; L152-D154 VanDerWaalsContact CD1-O 3.31Å; L152-D154 WeakPolarHBondContact CD1-O 3.38Å; L152-F256 HydrophobicContact CB-CE1 4.49Å; L152-L257 HydrophobicContact CB-CD2 4.42Å; L152-L257 HydrophobicContact CD2-CD2 3.92Å; L152-F547 HydrophobicContact CB-CZ 4.37Å; L152-F547 HydrophobicContact CD2-CB 3.96Å; L152-F547 HydrophobicContact CD2-CD1 3.4Å; L152-F547 VanDerWaalsContact CD2-CD1 3.4Å; L152-F547 HydrophobicContact CD2-CD2 3.98Å; L152-F547 HydrophobicContact CD2-CE1 3.82Å; L152-F547 HydrophobicContact CD2-CE2 4.33Å; L152-F547 HydrophobicContact CD2-CG 3.49Å; L152-F547 VanDerWaalsContact CD2-CG 3.49Å; L152-F547 HydrophobicContact CD2-CZ 4.25Å; L152-F547 HydrophobicContact CG-CD1 3.85Å; L152-F547 HydrophobicContact CG-CE1 3.7Å; L152-F547 HydrophobicContact CG-CE2 4.38Å; L152-F547 HydrophobicContact CG-CG 4.26Å; L152-F547 HydrophobicContact CG-CZ 3.98Å; L152-F547 WeakPolarHBondContact O-CZ 3.3Å; L152-L553 HydrophobicContact CD1-CD1 4.33Å; L152-L553 HydrophobicContact CD2-CD2 4.02Å
153	L	94.3	Very high	89	Confident	71 Å²	71	64 Å²	64	37%	0.372	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-38.2	176.6	-66.7	-175.2	0	0	0	112.9	Y119 K138 I140	Y119-L153 HydrophobicContact CD1-CD1 3.96Å; Y119-L153 HydrophobicContact CE1-CD1 3.57Å; K138-L153 HydrophobicContact CD-CD1 4.46Å; K138-L153 HydrophobicContact CG-CB 4.42Å; K138-L153 HydrophobicContact CG-CD1 4.43Å; K138-L153 WeakPolarHBondContact O-CB 3.29Å; K138-L153 PolarHBondContact O-N 3.24Å; I140-L153 HydrophobicContact CD1-CD1 3.82Å; I140-L153 HydrophobicContact CD1-CD2 3.89Å; I140-L153 HydrophobicContact CD1-CG 4.15Å; I140-L153 HydrophobicContact CG1-CD1 3.55Å; I140-L153 HydrophobicContact CG1-CD2 4.21Å; I140-L153 HydrophobicContact CG1-CG 3.93Å
154	D	94.9	Very high	89.7	Confident	69 Å²	69	59.8 Å²	59.8	37%	0.369	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.6	-176.7	-165.9	22.2	0	0	0	110.4	F137 K138 L152	F137-D154 WeakPolarHBondContact CA-O 3.41Å; K138-D154 HydrophobicContact CB-CB 3.97Å; K138-D154 PolarHBondContact N-O 2.92Å; K138-D154 PolarHBondContact O-N 3.14Å; L152-D154 VanDerWaalsContact CD1-O 3.31Å; L152-D154 WeakPolarHBondContact CD1-O 3.38Å
155	D	94.5	Very high	90.2	Very high	22 Å²	22	53.7 Å²	53.7	12%	0.118	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	95.6	175.5	175	14.9	0	0	0	108.1	H135 F137 F547	H135-D155 IonicContact CG-OD1 3.43Å; H135-D155 IonicContact ND1-OD1 2.75Å; H135-D155 PolarHBondContact ND1-OD1 3.11Å; H135-D155 IonicContact ND1-OD2 3.38Å; H135-D155 PolarHBondContact ND1-OD2 2.94Å; F137-D155 HydrophobicContact CD1-CB 3.89Å; F137-D155 HydrophobicContact CE1-CB 3.91Å; F137-D155 WeakPolarHBondContact CE1-OD1 3.43Å; D155-F547 HydrophobicContact CB-CD1 4.19Å
156	K	95.5	Very high	91	Very high	76 Å²	76	53.9 Å²	53.9	33%	0.33	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	126.4	173.6	-64.5	178.1	178.1	177.8	0	109.3	H135 I136 S188	H135-K156 CarbonylContact C-O 3.37Å; H135-K156 WeakPolarHBondContact CA-O 3.26Å; I136-K156 HydrophobicContact CB-CB 4.24Å; I136-K156 HydrophobicContact CD1-CB 4.2Å; I136-K156 WeakPolarHBondContact CD1-O 3.44Å; I136-K156 PolarHBondContact N-O 3.34Å; I136-K156 PolarHBondContact O-N 3.16Å; K156-S188 PolarHBondContact NZ-O 3.39Å
157	F	94.4	Very high	92.1	Very high	55 Å²	55	51.6 Å²	51.6	24%	0.241	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.1	-175.1	172	-103.3	0	0	0	112.2	R133 V134 H135 H159 E548	R133-F157 HydrophobicContact CB-CD2 4.36Å; R133-F157 HydrophobicContact CB-CE2 3.6Å; R133-F157 HydrophobicContact CB-CZ 4.25Å; R133-F157 HydrophobicContact CG-CE2 3.6Å; R133-F157 HydrophobicContact CG-CZ 3.76Å; V134-F157 WeakPolarHBondContact O-CA 3.44Å; H135-F157 AromaticContact CE1-CD2 3.17Å; H135-F157 WeakPolarHBondContact CE1-CD2 3.37Å; H135-F157 AromaticContact CE1-CE2 3.73Å; H135-F157 AromaticContact ND1-CD2 3.84Å; H135-F157 AromaticContact NE2-CD2 3.35Å; H135-F157 WeakPolarHBondContact NE2-CD2 3.41Å; H135-F157 AromaticContact NE2-CE2 3.53Å; F157-H159 HydrophobicContact CZ-CB 4.27Å; F157-E548 WeakPolarHBondContact CD1-OE2 3.35Å; F157-E548 WeakPolarHBondContact CG-OE2 3.31Å
158	H	97	Very high	93.1	Very high	80 Å²	80	47.1 Å²	47.1	37%	0.37	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	152.3	171.4	-68.6	-93.5	0	0	0	111.1	R133 V134 L181 I184	R133-H158 CarbonylContact C-O 3.59Å; R133-H158 VanDerWaalsContact CA-O 3.25Å; R133-H158 WeakPolarHBondContact CA-O 3.39Å; V134-H158 HydrophobicContact CG1-CB 4.06Å; V134-H158 PolarHBondContact N-O 3.32Å; V134-H158 PolarHBondContact O-N 3.49Å; V134-H158 VanDerWaalsContact O-N 3.11Å; H158-L181 HydrophobicContact CB-CD2 3.79Å; H158-I184 HydrophobicContact CB-CD1 4.21Å; H158-I184 WeakPolarHBondContact CD2-CG2 3.31Å
159	H	96.6	Very high	93.7	Very high	101 Å²	101	50.8 Å²	50.8	47%	0.468	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.7	179.9	74.1	-86	0	0	0	113.6	S132 R133 F157	S132-H159 CarbonylContact O-C 3.44Å; S132-H159 VanDerWaalsContact O-CA 3.23Å; S132-H159 WeakPolarHBondContact O-CA 3.46Å; S132-H159 WeakPolarHBondContact O-CB 3.18Å; R133-H159 HydrophobicContact CB-CB 4.27Å; R133-H159 HydrophobicContact CG-CB 3.52Å; F157-H159 HydrophobicContact CZ-CB 4.27Å
160	V	97.4	Very high	94.3	Very high	21 Å²	21	55 Å²	55	13%	0.127	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.6	172.2	-63.4	0	0	0	0	110.5	G131 S132 K180 L181	G131-V160 CarbonylContact C-O 3.37Å; G131-V160 WeakPolarHBondContact CA-O 3.04Å; S132-V160 PolarHBondContact N-O 3Å; S132-V160 PolarHBondContact O-N 3.2Å; V160-K180 HydrophobicContact CG1-CD 4.13Å; V160-L181 HydrophobicContact CG1-CD1 4.48Å; V160-L181 HydrophobicContact CG1-CD2 3.96Å; V160-L181 HydrophobicContact CG1-CG 3.99Å; V160-L181 HydrophobicContact CG2-CD1 3.88Å; V160-L181 HydrophobicContact CG2-CG 4.2Å
161	Q	95	Very high	94.7	Very high	138 Å²	138	56 Å²	56	65%	0.645	29%	0.287	S	S	*	.	S	Bend	trans	-128.1	156	172.7	-65.9	-174.2	-25.9	0	0	109.6	T130	T130-Q161 WeakPolarHBondContact O-CG 3.42Å
162	P	93.5	Very high	95	Very high	53 Å²	53	59 Å²	59	34%	0.344	30%	0.297	S	S	.	.	S	Bend	cis	-76.5	-178.1	-6	34.9	-39.1	0	0	0	112.9	S166 Y167	P162-S166 WeakPolarHBondContact CB-OG 3.47Å; P162-Y167 WeakPolarHBondContact CD-OH 3.44Å; P162-Y167 HydrophobicContact CG-CE2 3.86Å
163	G	93.8	Very high	95.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.314	C	S	.	.			trans	-73.2	164.3	174.8	0	0	0	0	0	112.3	G131 S165 S166	G131-G163 VanDerWaalsContact CA-CA 3.44Å; G163-S165 PolarHBondContact O-N 3.43Å; G163-S165 VanDerWaalsContact O-N 3.17Å; G163-S166 WeakPolarHBondContact O-CB 3.34Å; G163-S166 PolarHBondContact O-N 3.12Å; G163-S166 VanDerWaalsContact O-N 3.07Å
164	L	96	Very high	95.3	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.9	-31	-175.8	-63.8	-171.4	0	0	0	113.4	A127 S166 Y167 A174 L178 L207 I218 V222	A127-L164 HydrophobicContact CB-CD1 3.5Å; A127-L164 VanDerWaalsContact CB-CD1 3.5Å; A127-L164 HydrophobicContact CB-CG 3.92Å; L164-S166 PolarHBondContact O-N 3.22Å; L164-Y167 PolarHBondContact O-N 3.31Å; L164-A174 HydrophobicContact CD2-CB 4.33Å; L164-L178 HydrophobicContact CD2-CD1 4.45Å; L164-L178 HydrophobicContact CD2-CD2 4.14Å; L164-L178 HydrophobicContact CD2-CG 4.24Å; L164-L207 HydrophobicContact CB-CD2 4.34Å; L164-I218 HydrophobicContact CB-CG2 4.14Å; L164-I218 HydrophobicContact CD1-CG2 4.13Å; L164-I218 WeakPolarHBondContact O-CD1 3.2Å; L164-V222 HydrophobicContact CD1-CG2 4.2Å
165	S	93.5	Very high	95.5	Very high	25 Å²	25	56.2 Å²	56.2	18%	0.175	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-65.5	-20.5	178.7	53.4	0	0	0	0	113.9	G163 Y167 A168 G206	G163-S165 PolarHBondContact O-N 3.43Å; G163-S165 VanDerWaalsContact O-N 3.17Å; S165-Y167 PolarHBondContact O-N 3.46Å; S165-A168 PolarHBondContact O-N 3.37Å; S165-G206 VanDerWaalsContact CB-O 3.23Å; S165-G206 WeakPolarHBondContact CB-O 3.28Å
166	S	93.6	Very high	95.7	Very high	59 Å²	59	60.4 Å²	60.4	41%	0.413	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-68.1	-15.5	173.1	-62.5	0	0	0	0	112.9	P162 G163 L164	P162-S166 WeakPolarHBondContact CB-OG 3.47Å; G163-S166 WeakPolarHBondContact O-CB 3.34Å; G163-S166 PolarHBondContact O-N 3.12Å; G163-S166 VanDerWaalsContact O-N 3.07Å; L164-S166 PolarHBondContact O-N 3.22Å
167	Y	94	Very high	95.8	Very high	45 Å²	45	58 Å²	58	18%	0.176	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-103.7	29.2	177.1	-54.1	-87.7	0	0	0	112	P162 L164 S165 E169 K170 E173 A174	P162-Y167 WeakPolarHBondContact CD-OH 3.44Å; P162-Y167 HydrophobicContact CG-CE2 3.86Å; L164-Y167 PolarHBondContact O-N 3.31Å; S165-Y167 PolarHBondContact O-N 3.46Å; Y167-E169 PolarHBondContact O-N 3.35Å; Y167-K170 CarbonylContact O-C 3.49Å; Y167-K170 PolarHBondContact O-N 2.83Å; Y167-E173 HydrophobicContact CD1-CB 3.89Å; Y167-E173 HydrophobicContact CE1-CB 4.29Å; Y167-A174 HydrophobicContact CD2-CB 4.11Å; Y167-A174 HydrophobicContact CG-CB 3.95Å
168	A	91.7	Very high	96	Very high	19 Å²	19	55.4 Å²	55.4	16%	0.157	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-32.9	-174.9	0	0	0	0	0	114.6	S165 I210 K214	S165-A168 PolarHBondContact O-N 3.37Å; A168-I210 HydrophobicContact CB-CD1 4.19Å; A168-K214 HydrophobicContact CB-CD 4.2Å
169	E	93.5	Very high	96	Very high	136 Å²	136	53.4 Å²	53.4	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.4	177.8	-51.8	-50.4	143.8	0	0	113.8	Y167 K214	Y167-E169 PolarHBondContact O-N 3.35Å; E169-K214 WeakPolarHBondContact OE1-CE 3.44Å; E169-K214 IonicContact OE1-NZ 3.43Å; E169-K214 PolarHBondContact OE1-NZ 2.81Å; E169-K214 IonicContact OE2-NZ 3.7Å
170	K	95.8	Very high	96.1	Very high	104 Å²	104	55.1 Å²	55.1	45%	0.452	28%	0.283	S	S	.	.			trans	-136.4	68.4	-169.4	-54.8	-167.2	-178.7	-172.3	0	112.8	Y167 E172 E173 A174	Y167-K170 CarbonylContact O-C 3.49Å; Y167-K170 PolarHBondContact O-N 2.83Å; K170-E172 VanDerWaalsContact C-N 3.31Å; K170-E172 PolarHBondContact O-N 3Å; K170-E173 HydrophobicContact CB-CB 4.04Å; K170-E173 HydrophobicContact CB-CG 4.27Å; K170-E173 HydrophobicContact CD-CG 4.24Å; K170-E173 WeakPolarHBondContact CD-OE1 3.33Å; K170-E173 WeakPolarHBondContact CD-OE2 3.31Å; K170-E173 VanDerWaalsContact NZ-CD 3.3Å; K170-E173 IonicContact NZ-OE1 3.67Å; K170-E173 PolarHBondContact NZ-OE1 3.39Å; K170-E173 IonicContact NZ-OE2 3.57Å; K170-E173 PolarHBondContact NZ-OE2 2.91Å; K170-E173 PolarHBondContact O-N 3.38Å; K170-E173 VanDerWaalsContact O-N 3.15Å; K170-A174 PolarHBondContact O-N 2.95Å
171	P	97.2	Very high	96.2	Very high	33 Å²	33	54.2 Å²	54.2	21%	0.214	28%	0.277	C	S	.	.	H	α-helix	trans	-54	-40.5	-175.5	-28.4	36.7	0	0	0	115.1	A174 A175 N217 I218 A221	P171-A174 WeakPolarHBondContact O-CB 3.44Å; P171-A174 PolarHBondContact O-N 2.93Å; P171-A175 PolarHBondContact O-N 3.24Å; P171-N217 HydrophobicContact CB-CB 4.37Å; P171-N217 HydrophobicContact CG-CB 3.75Å; P171-I218 HydrophobicContact CB-CG1 4.41Å; P171-A221 HydrophobicContact CB-CB 3.97Å; P171-A221 WeakPolarHBondContact O-CB 3.46Å
172	E	98.2	Very high	96.3	Very high	119 Å²	119	47.6 Å²	47.6	56%	0.556	25%	0.246	S	C	*	.	H	α-helix	trans	-68.5	-40	-179.7	-60.1	-54.9	148	0	0	112.1	K170 A174 A175 L176	K170-E172 VanDerWaalsContact C-N 3.31Å; K170-E172 PolarHBondContact O-N 3Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.83Å; E172-A175 PolarHBondContact O-N 3.01Å; E172-L176 WeakPolarHBondContact O-CB 3.18Å; E172-L176 VanDerWaalsContact O-CG 3.28Å; E172-L176 WeakPolarHBondContact O-CG 3.18Å; E172-L176 PolarHBondContact O-N 2.94Å
173	E	97.9	Very high	96.5	Very high	90 Å²	90	48.7 Å²	48.7	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-35.9	172.7	-68.7	-177.1	-156.5	0	0	111	Y167 K170 L176 S177	Y167-E173 HydrophobicContact CD1-CB 3.89Å; Y167-E173 HydrophobicContact CE1-CB 4.29Å; K170-E173 HydrophobicContact CB-CB 4.04Å; K170-E173 HydrophobicContact CB-CG 4.27Å; K170-E173 HydrophobicContact CD-CG 4.24Å; K170-E173 WeakPolarHBondContact CD-OE1 3.33Å; K170-E173 WeakPolarHBondContact CD-OE2 3.31Å; K170-E173 VanDerWaalsContact NZ-CD 3.3Å; K170-E173 IonicContact NZ-OE1 3.67Å; K170-E173 PolarHBondContact NZ-OE1 3.39Å; K170-E173 IonicContact NZ-OE2 3.57Å; K170-E173 PolarHBondContact NZ-OE2 2.91Å; K170-E173 PolarHBondContact O-N 3.38Å; K170-E173 VanDerWaalsContact O-N 3.15Å; E173-L176 PolarHBondContact O-N 3.39Å; E173-S177 PolarHBondContact O-N 3.48Å
174	A	97.6	Very high	96.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-47.5	174	0	0	0	0	0	111.4	L164 Y167 K170 P171 E172 S177 I218	L164-A174 HydrophobicContact CD2-CB 4.33Å; Y167-A174 HydrophobicContact CD2-CB 4.11Å; Y167-A174 HydrophobicContact CG-CB 3.95Å; K170-A174 PolarHBondContact O-N 2.95Å; P171-A174 WeakPolarHBondContact O-CB 3.44Å; P171-A174 PolarHBondContact O-N 2.93Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.83Å; A174-S177 WeakPolarHBondContact O-CB 3.29Å; A174-S177 PolarHBondContact O-N 3.33Å; A174-S177 PolarHBondContact O-OG 2.89Å; A174-I218 HydrophobicContact CB-CG1 4.14Å; A174-I218 HydrophobicContact CB-CG2 3.95Å
175	A	98.3	Very high	96.8	Very high	3 Å²	3	50.3 Å²	50.3	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-41.8	177.9	0	0	0	0	0	112.1	P171 E172 S177 L178 A221 V222 R225	P171-A175 PolarHBondContact O-N 3.24Å; E172-A175 PolarHBondContact O-N 3.01Å; A175-S177 VanDerWaalsContact C-N 3.26Å; A175-S177 PolarHBondContact O-N 3.13Å; A175-L178 PolarHBondContact O-N 2.71Å; A175-A221 HydrophobicContact CB-CB 3.86Å; A175-V222 HydrophobicContact CB-CG2 4.3Å; A175-R225 HydrophobicContact CB-CB 4.03Å
176	L	98.3	Very high	97	Very high	110 Å²	110	51.7 Å²	51.7	58%	0.576	26%	0.261	S	S	*	.	H	α-helix	trans	-61.3	-34.7	176.7	-73.8	172.6	0	0	0	112.4	E172 E173 L178 T179	E172-L176 WeakPolarHBondContact O-CB 3.18Å; E172-L176 VanDerWaalsContact O-CG 3.28Å; E172-L176 WeakPolarHBondContact O-CG 3.18Å; E172-L176 PolarHBondContact O-N 2.94Å; E173-L176 PolarHBondContact O-N 3.39Å; L176-L178 PolarHBondContact O-N 2.98Å; L176-L178 VanDerWaalsContact O-N 3.11Å; L176-T179 WeakPolarHBondContact O-CB 3.36Å; L176-T179 PolarHBondContact O-N 2.96Å; L176-T179 PolarHBondContact O-OG1 3.12Å
177	S	98	Very high	97.2	Very high	25 Å²	25	54.4 Å²	54.4	18%	0.175	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-24.6	177.9	81.6	0	0	0	0	113.5	E173 A174 A175	E173-S177 PolarHBondContact O-N 3.48Å; A174-S177 WeakPolarHBondContact O-CB 3.29Å; A174-S177 PolarHBondContact O-N 3.33Å; A174-S177 PolarHBondContact O-OG 2.89Å; A175-S177 VanDerWaalsContact C-N 3.26Å; A175-S177 PolarHBondContact O-N 3.13Å
178	L	98.5	Very high	97.3	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.5	178.1	-60	-179.7	0	0	0	113.6	L164 A175 L176 K180 L181 I182 L201 V222	L164-L178 HydrophobicContact CD2-CD1 4.45Å; L164-L178 HydrophobicContact CD2-CD2 4.14Å; L164-L178 HydrophobicContact CD2-CG 4.24Å; A175-L178 PolarHBondContact O-N 2.71Å; L176-L178 PolarHBondContact O-N 2.98Å; L176-L178 VanDerWaalsContact O-N 3.11Å; L178-K180 VanDerWaalsContact C-N 3.28Å; L178-K180 PolarHBondContact O-N 3.26Å; L178-L181 HydrophobicContact CD2-CD1 4.49Å; L178-L181 PolarHBondContact O-N 2.7Å; L178-I182 HydrophobicContact CB-CD1 4.14Å; L178-I182 WeakPolarHBondContact O-CG1 3.48Å; L178-I182 PolarHBondContact O-N 2.78Å; L178-L201 HydrophobicContact CD1-CD1 3.64Å; L178-V222 HydrophobicContact CD1-CG1 4Å; L178-V222 HydrophobicContact CD1-CG2 3.99Å
179	T	98.4	Very high	97.5	Very high	38 Å²	38	53.3 Å²	53.3	23%	0.233	27%	0.272	C	S	.	.	H	α-helix	trans	-56.5	-40.8	-173.9	-64.5	0	0	0	0	112.6	L176 L181 I182 N183 R225	L176-T179 WeakPolarHBondContact O-CB 3.36Å; L176-T179 PolarHBondContact O-N 2.96Å; L176-T179 PolarHBondContact O-OG1 3.12Å; T179-L181 VanDerWaalsContact C-N 3.33Å; T179-L181 PolarHBondContact O-N 2.98Å; T179-I182 PolarHBondContact O-N 3.47Å; T179-N183 PolarHBondContact O-N 2.87Å; T179-N183 PolarHBondContact O-OD1 3.24Å; T179-R225 PolarHBondContact OG1-NE 3.39Å
180	K	98.1	Very high	97.5	Very high	137 Å²	137	49.1 Å²	49.1	60%	0.596	26%	0.257	S	S	*	.	H	α-helix	trans	-59.2	-45	176.6	-177.9	-179.9	178.4	-176.7	0	111.7	V160 L178 I184	V160-K180 HydrophobicContact CG1-CD 4.13Å; L178-K180 VanDerWaalsContact C-N 3.28Å; L178-K180 PolarHBondContact O-N 3.26Å; K180-I184 HydrophobicContact CG-CD1 4.12Å; K180-I184 WeakPolarHBondContact O-CD1 3.41Å; K180-I184 VanDerWaalsContact O-CG1 3.28Å; K180-I184 WeakPolarHBondContact O-CG1 3.21Å; K180-I184 PolarHBondContact O-N 2.95Å
181	L	98.6	Very high	97.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-70.4	-39.3	-178.9	-64.2	-173.3	0	0	0	111.9	F125 V134 H158 V160 L178 T179 I184 A185	F125-L181 HydrophobicContact CD1-CB 4.43Å; F125-L181 HydrophobicContact CD1-CD1 4.45Å; F125-L181 HydrophobicContact CE1-CB 3.66Å; F125-L181 HydrophobicContact CE1-CD1 4.45Å; V134-L181 HydrophobicContact CB-CB 4.14Å; V134-L181 HydrophobicContact CB-CD1 4.4Å; V134-L181 HydrophobicContact CG1-CB 3.91Å; V134-L181 HydrophobicContact CG1-CD2 3.96Å; V134-L181 HydrophobicContact CG1-CG 4.34Å; H158-L181 HydrophobicContact CB-CD2 3.79Å; V160-L181 HydrophobicContact CG1-CD1 4.48Å; V160-L181 HydrophobicContact CG1-CD2 3.96Å; V160-L181 HydrophobicContact CG1-CG 3.99Å; V160-L181 HydrophobicContact CG2-CD1 3.88Å; V160-L181 HydrophobicContact CG2-CG 4.2Å; L178-L181 HydrophobicContact CD2-CD1 4.49Å; L178-L181 PolarHBondContact O-N 2.7Å; T179-L181 VanDerWaalsContact C-N 3.33Å; T179-L181 PolarHBondContact O-N 2.98Å; L181-I184 PolarHBondContact O-N 3.4Å; L181-A185 WeakPolarHBondContact O-CB 3.36Å; L181-A185 PolarHBondContact O-N 3.19Å
182	I	98.4	Very high	96.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-51.5	173.8	-69.9	167.1	0	0	0	110.6	F125 L178 T179 I184 A185 E186 R225 L226 T229	F125-I182 HydrophobicContact CE1-CG1 4.13Å; F125-I182 HydrophobicContact CZ-CG1 3.72Å; L178-I182 HydrophobicContact CB-CD1 4.14Å; L178-I182 WeakPolarHBondContact O-CG1 3.48Å; L178-I182 PolarHBondContact O-N 2.78Å; T179-I182 PolarHBondContact O-N 3.47Å; I182-I184 VanDerWaalsContact C-N 3.29Å; I182-I184 PolarHBondContact O-N 3.23Å; I182-A185 PolarHBondContact O-N 3.41Å; I182-E186 HydrophobicContact CG2-CG 4.44Å; I182-E186 PolarHBondContact O-N 3.15Å; I182-R225 HydrophobicContact CD1-CG 3.75Å; I182-L226 HydrophobicContact CD1-CD2 3.92Å; I182-L226 HydrophobicContact CG1-CD2 4.05Å; I182-T229 HydrophobicContact CD1-CG2 4.49Å; I182-T229 HydrophobicContact CG2-CG2 3.48Å; I182-T229 VanDerWaalsContact CG2-CG2 3.48Å
183	N	98	Very high	96.6	Very high	76 Å²	76	51.8 Å²	51.8	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-38	-178.6	-66.2	-2.8	0	0	0	112	T179 A185 T187	T179-N183 PolarHBondContact O-N 2.87Å; T179-N183 PolarHBondContact O-OD1 3.24Å; N183-A185 VanDerWaalsContact C-N 3.34Å; N183-T187 WeakPolarHBondContact O-CB 3.21Å; N183-T187 VanDerWaalsContact O-CG2 3.3Å; N183-T187 WeakPolarHBondContact O-CG2 3.42Å; N183-T187 PolarHBondContact O-N 3.08Å; N183-T187 PolarHBondContact O-OG1 3.01Å
184	I	98.2	Very high	96.5	Very high	34 Å²	34	47.9 Å²	47.9	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-41	174.9	-70	165.8	0	0	0	110.9	H158 K180 L181 I182 T187 S188	H158-I184 HydrophobicContact CB-CD1 4.21Å; H158-I184 WeakPolarHBondContact CD2-CG2 3.31Å; K180-I184 HydrophobicContact CG-CD1 4.12Å; K180-I184 WeakPolarHBondContact O-CD1 3.41Å; K180-I184 VanDerWaalsContact O-CG1 3.28Å; K180-I184 WeakPolarHBondContact O-CG1 3.21Å; K180-I184 PolarHBondContact O-N 2.95Å; L181-I184 PolarHBondContact O-N 3.4Å; I182-I184 VanDerWaalsContact C-N 3.29Å; I182-I184 PolarHBondContact O-N 3.23Å; I184-T187 PolarHBondContact O-OG1 3.21Å; I184-S188 WeakPolarHBondContact O-CB 3.49Å; I184-S188 PolarHBondContact O-N 3.23Å; I184-S188 PolarHBondContact O-OG 2.91Å
185	A	98	Very high	96.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.7	-43.4	179.5	0	0	0	0	0	112.3	V123 V134 I136 L181 I182 N183 S188 L189 F231	V123-A185 HydrophobicContact CG1-CB 4.03Å; V123-A185 HydrophobicContact CG2-CB 4.41Å; V134-A185 HydrophobicContact CG2-CB 4.08Å; I136-A185 HydrophobicContact CD1-CB 4.04Å; I136-A185 HydrophobicContact CG1-CB 3.76Å; L181-A185 WeakPolarHBondContact O-CB 3.36Å; L181-A185 PolarHBondContact O-N 3.19Å; I182-A185 PolarHBondContact O-N 3.41Å; N183-A185 VanDerWaalsContact C-N 3.34Å; A185-S188 PolarHBondContact O-N 3.44Å; A185-L189 WeakPolarHBondContact O-CG 3.44Å; A185-F231 HydrophobicContact CB-CE1 4.45Å; A185-F231 HydrophobicContact CB-CE2 4.45Å; A185-F231 HydrophobicContact CB-CZ 3.67Å
186	E	97.2	Very high	96.1	Very high	54 Å²	54	63.1 Å²	63.1	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-44.5	176.7	-68.6	-175.9	129.1	0	0	111.6	I182 S188 L189 T229 C230 F231	I182-E186 HydrophobicContact CG2-CG 4.44Å; I182-E186 PolarHBondContact O-N 3.15Å; E186-S188 VanDerWaalsContact C-N 3.27Å; E186-S188 PolarHBondContact O-N 2.75Å; E186-L189 PolarHBondContact O-N 2.98Å; E186-T229 WeakPolarHBondContact OE1-CA 3.48Å; E186-T229 VanDerWaalsContact OE1-CB 3.29Å; E186-T229 WeakPolarHBondContact OE1-CB 3.36Å; E186-C230 PolarHBondContact OE1-N 3.06Å; E186-C230 PolarHBondContact OE1-SG 3.19Å; E186-C230 VanDerWaalsContact OE1-SG 3.35Å; E186-F231 HydrophobicContact CB-CZ 4.44Å; E186-F231 HydrophobicContact CG-CE1 4.03Å; E186-F231 HydrophobicContact CG-CE2 4.01Å; E186-F231 HydrophobicContact CG-CZ 3.49Å; E186-F231 VanDerWaalsContact CG-CZ 3.49Å
187	T	96.5	Very high	96	Very high	117 Å²	117	58 Å²	58	72%	0.718	31%	0.305	S	S	*	.	H	α-helix	trans	-73.6	-17.5	179.5	54.5	0	0	0	0	113.7	N183 I184 L189	N183-T187 WeakPolarHBondContact O-CB 3.21Å; N183-T187 VanDerWaalsContact O-CG2 3.3Å; N183-T187 WeakPolarHBondContact O-CG2 3.42Å; N183-T187 PolarHBondContact O-N 3.08Å; N183-T187 PolarHBondContact O-OG1 3.01Å; I184-T187 PolarHBondContact O-OG1 3.21Å; T187-L189 VanDerWaalsContact C-N 3.34Å
188	S	96.6	Very high	95.9	Very high	26 Å²	26	57.2 Å²	57.2	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-79.9	-14.8	177.2	-73.5	0	0	0	0	114.1	K156 I184 A185 E186	K156-S188 PolarHBondContact NZ-O 3.39Å; I184-S188 WeakPolarHBondContact O-CB 3.49Å; I184-S188 PolarHBondContact O-N 3.23Å; I184-S188 PolarHBondContact O-OG 2.91Å; A185-S188 PolarHBondContact O-N 3.44Å; E186-S188 VanDerWaalsContact C-N 3.27Å; E186-S188 PolarHBondContact O-N 2.75Å
189	L	96.2	Very high	95.8	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.073	30%	0.299	C	S	.	.	S	Bend	trans	-97.3	147.9	-177.9	-65.6	168.5	0	0	0	111.5	Y121 V123 I136 A185 E186 T187 V193 C194 T197 F231	Y121-L189 HydrophobicContact CD1-CD2 3.45Å; Y121-L189 VanDerWaalsContact CD1-CD2 3.45Å; Y121-L189 HydrophobicContact CE1-CD2 4.2Å; Y121-L189 HydrophobicContact CG-CD2 3.79Å; V123-L189 HydrophobicContact CG2-CD1 4.36Å; I136-L189 HydrophobicContact CG2-CD2 3.92Å; I136-L189 HydrophobicContact CG2-CG 4.39Å; A185-L189 WeakPolarHBondContact O-CG 3.44Å; E186-L189 PolarHBondContact O-N 2.98Å; T187-L189 VanDerWaalsContact C-N 3.34Å; L189-V193 HydrophobicContact CB-CG2 4.22Å; L189-V193 HydrophobicContact CD2-CG2 4.44Å; L189-C194 HydrophobicContact CD1-CB 4.28Å; L189-T197 HydrophobicContact CD1-CG2 3.92Å; L189-T197 HydrophobicContact CD2-CG2 4.28Å; L189-F231 HydrophobicContact CD1-CD1 4.14Å; L189-F231 HydrophobicContact CD1-CE1 3.62Å
190	P	94.1	Very high	95.8	Very high	49 Å²	49	55.4 Å²	55.4	32%	0.318	29%	0.288	S	S	.	.			trans	-54.8	143.3	163.1	-21.4	29.9	0	0	0	111.9	D192 V193	P190-D192 PolarHBondContact O-N 2.89Å; P190-V193 HydrophobicContact CB-CG1 4.3Å; P190-V193 HydrophobicContact CB-CG2 3.92Å; P190-V193 HydrophobicContact CG-CG2 3.96Å; P190-V193 WeakPolarHBondContact O-CG2 3.32Å; P190-V193 PolarHBondContact O-N 2.89Å; P190-V193 VanDerWaalsContact O-N 3.16Å
191	V	86.1	Confident	95.8	Very high	148 Å²	148	48.9 Å²	48.9	90%	0.897	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.7	-171.7	177.7	0	0	0	0	112.4
192	D	91	Very high	95.7	Very high	131 Å²	131	49.5 Å²	49.5	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.1	-174.7	62.8	-45.2	0	0	0	114.3	P190	P190-D192 PolarHBondContact O-N 2.89Å
193	V	95	Very high	95.7	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.2	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-16.2	-175.3	-51.7	0	0	0	0	114.3	Y121 L189 P190 R195 N196 T197	Y121-V193 HydrophobicContact CD2-CB 4.32Å; Y121-V193 HydrophobicContact CD2-CG2 3.88Å; Y121-V193 HydrophobicContact CE2-CG1 4.39Å; Y121-V193 HydrophobicContact CE2-CG2 4.01Å; Y121-V193 HydrophobicContact CG-CG2 4.33Å; L189-V193 HydrophobicContact CB-CG2 4.22Å; L189-V193 HydrophobicContact CD2-CG2 4.44Å; P190-V193 HydrophobicContact CB-CG1 4.3Å; P190-V193 HydrophobicContact CB-CG2 3.92Å; P190-V193 HydrophobicContact CG-CG2 3.96Å; P190-V193 WeakPolarHBondContact O-CG2 3.32Å; P190-V193 PolarHBondContact O-N 2.89Å; P190-V193 VanDerWaalsContact O-N 3.16Å; V193-R195 VanDerWaalsContact C-N 3.33Å; V193-R195 PolarHBondContact O-N 3.34Å; V193-N196 PolarHBondContact O-N 2.86Å; V193-T197 PolarHBondContact O-N 2.82Å; V193-T197 VanDerWaalsContact O-N 3.11Å; V193-T197 PolarHBondContact O-OG1 3.13Å
194	C	95.6	Very high	95.6	Very high	7 Å²	7	46.2 Å²	46.2	5%	0.047	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-56.3	-45.7	-173.9	-173.6	0	0	0	0	112.6	L189 N196 T197 C230 F231	L189-C194 HydrophobicContact CD1-CB 4.28Å; C194-N196 PolarHBondContact O-N 2.94Å; C194-T197 WeakPolarHBondContact O-CB 3.36Å; C194-T197 PolarHBondContact O-N 2.97Å; C194-C230 CarbonylContact C-O 3.35Å; C194-C230 HydrophobicContact CB-CB 3.87Å; C194-C230 WeakPolarHBondContact CB-SG 3.21Å; C194-C230 WeakPolarHBondContact SG-CB 3.41Å; C194-C230 CovalentContact SG-SG 2.02Å; C194-C230 PolarHBondContact SG-SG 3.27Å; C194-F231 WeakPolarHBondContact SG-CD1 3.28Å
195	R	94.5	Very high	95.3	Very high	207 Å²	207	44.7 Å²	44.7	78%	0.781	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-57.7	-24.9	179.4	-168.9	171.4	179.3	156.9	1	114.7	V193 C230 K232	V193-R195 VanDerWaalsContact C-N 3.33Å; V193-R195 PolarHBondContact O-N 3.34Å; R195-C230 WeakPolarHBondContact CA-O 3.43Å; R195-C230 PolarHBondContact N-O 3.06Å; R195-K232 WeakPolarHBondContact O-CB 3.41Å
196	N	93.4	Very high	95	Very high	116 Å²	116	44.9 Å²	44.9	62%	0.62	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-102	-7.1	179.4	-68.3	-41.6	0	0	0	113.1	V193 C194 P198	V193-N196 PolarHBondContact O-N 2.86Å; C194-N196 PolarHBondContact O-N 2.94Å; N196-P198 WeakPolarHBondContact O-CD 3.24Å
197	T	96	Very high	94.8	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	23%	0.228	C	C	.	.	S	Bend	trans	-80.1	114.1	-178	-60.9	0	0	0	0	109.5	V123 L189 V193 C194 K232	V123-T197 HydrophobicContact CG2-CG2 3.89Å; L189-T197 HydrophobicContact CD1-CG2 3.92Å; L189-T197 HydrophobicContact CD2-CG2 4.28Å; V193-T197 PolarHBondContact O-N 2.82Å; V193-T197 VanDerWaalsContact O-N 3.11Å; V193-T197 PolarHBondContact O-OG1 3.13Å; C194-T197 WeakPolarHBondContact O-CB 3.36Å; C194-T197 PolarHBondContact O-N 2.97Å; T197-K232 WeakPolarHBondContact O-CB 3.21Å; T197-K232 PolarHBondContact O-N 2.87Å
198	P	95.6	Very high	94.7	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.8	175.1	26.9	-34.6	0	0	0	110.8	Y121 V123 N196 L234 L556	Y121-P198 WeakPolarHBondContact O-CD 3.44Å; V123-P198 PolarHBondContact N-O 3.17Å; N196-P198 WeakPolarHBondContact O-CD 3.24Å; P198-L234 HydrophobicContact CB-CD1 3.66Å; P198-L234 HydrophobicContact CB-CD2 4.33Å; P198-L234 HydrophobicContact CB-CG 4.04Å; P198-L556 HydrophobicContact CG-CD1 4.24Å
199	V	96.9	Very high	94.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134	168	64.1	0	0	0	0	109.9	V123 F125 L226 F231 K232 A237	V123-V199 HydrophobicContact CB-CB 4.39Å; V123-V199 HydrophobicContact CB-CG2 4.21Å; V123-V199 HydrophobicContact CG1-CG2 4.07Å; V123-V199 WeakPolarHBondContact O-CA 3.23Å; F125-V199 HydrophobicContact CD2-CG2 3.85Å; F125-V199 HydrophobicContact CE2-CG2 3.72Å; V199-L226 HydrophobicContact CG2-CD1 4.36Å; V199-L226 HydrophobicContact CG2-CD2 4.29Å; V199-F231 HydrophobicContact CB-CB 3.66Å; V199-F231 HydrophobicContact CB-CD2 3.84Å; V199-F231 HydrophobicContact CB-CG 3.84Å; V199-F231 HydrophobicContact CG1-CB 3.42Å; V199-F231 VanDerWaalsContact CG1-CB 3.42Å; V199-F231 HydrophobicContact CG1-CD2 4.02Å; V199-F231 HydrophobicContact CG1-CG 4.04Å; V199-F231 HydrophobicContact CG2-CD2 3.94Å; V199-F231 HydrophobicContact CG2-CG 4.42Å; V199-K232 PolarHBondContact N-O 2.95Å; V199-A237 WeakPolarHBondContact O-CB 3.43Å
200	I	97	Very high	94.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.3	166.9	60.6	171.8	0	0	0	110.4	V123 V124 F125 L234 A237 A555 E559	V123-I200 PolarHBondContact O-N 3.35Å; V124-I200 CarbonylContact C-O 3.55Å; V124-I200 WeakPolarHBondContact CA-O 3.42Å; V124-I200 HydrophobicContact CB-CG1 4.2Å; V124-I200 HydrophobicContact CG1-CD1 4.16Å; V124-I200 HydrophobicContact CG1-CG1 4Å; V124-I200 HydrophobicContact CG2-CD1 3.98Å; V124-I200 HydrophobicContact CG2-CG1 3.81Å; F125-I200 PolarHBondContact N-O 3.28Å; I200-L234 HydrophobicContact CG2-CD1 3.97Å; I200-A237 CarbonylContact C-O 3.59Å; I200-A237 VanDerWaalsContact CA-O 3.26Å; I200-A237 WeakPolarHBondContact CA-O 3.08Å; I200-A555 HydrophobicContact CD1-CB 4.09Å; I200-E559 HydrophobicContact CD1-CG 4.01Å; I200-E559 HydrophobicContact CG2-CG 3.99Å
201	L	98.1	Very high	94	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.3	165.3	-174.1	146	0	0	0	108.5	F125 A127 L178 L219 V222 L226 A237 V238 T239	F125-L201 HydrophobicContact CB-CB 3.83Å; F125-L201 HydrophobicContact CB-CD1 3.6Å; F125-L201 HydrophobicContact CB-CG 3.67Å; F125-L201 HydrophobicContact CG-CD1 4.21Å; F125-L201 WeakPolarHBondContact O-CA 3.45Å; A127-L201 HydrophobicContact CB-CD2 3.93Å; A127-L201 HydrophobicContact CB-CG 4.37Å; L178-L201 HydrophobicContact CD1-CD1 3.64Å; L201-L219 HydrophobicContact CD2-CD2 4.25Å; L201-V222 HydrophobicContact CD1-CG1 3.69Å; L201-V222 HydrophobicContact CD2-CG1 4.41Å; L201-V222 HydrophobicContact CG-CG1 4.5Å; L201-L226 HydrophobicContact CB-CD1 4.3Å; L201-A237 PolarHBondContact N-O 2.93Å; L201-A237 VanDerWaalsContact O-O 3.06Å; L201-V238 HydrophobicContact CB-CG1 4.41Å; L201-V238 HydrophobicContact CB-CG2 4.17Å; L201-V238 HydrophobicContact CD2-CG1 4.04Å; L201-V238 WeakPolarHBondContact O-CA 3.46Å; L201-T239 PolarHBondContact O-N 2.76Å
202	R	97.9	Very high	94.4	Very high	13 Å²	13	40 Å²	40	5%	0.049	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124	171.2	-61.2	-67.3	175	-107	8	108.6	F125 A127 N236 A237 T239 M241 W551 E559	F125-R202 PolarHBondContact O-N 3.06Å; A127-R202 PolarHBondContact N-O 2.9Å; R202-N236 PolarHBondContact NH1-O 2.82Å; R202-N236 PolarHBondContact NH2-O 3.38Å; R202-A237 PolarHBondContact NH1-O 3.41Å; R202-T239 WeakPolarHBondContact CA-O 3.46Å; R202-T239 PolarHBondContact NH1-OG1 3.06Å; R202-M241 HydrophobicContact CB-CB 3.83Å; R202-M241 HydrophobicContact CB-CE 4.31Å; R202-M241 HydrophobicContact CB-SD 4.27Å; R202-M241 HydrophobicContact CG-CB 4.29Å; R202-M241 HydrophobicContact CG-SD 4.31Å; R202-W551 HydrophobicContact CB-CH2 3.5Å; R202-W551 HydrophobicContact CB-CZ2 4.21Å; R202-W551 HydrophobicContact CB-CZ3 3.89Å; R202-W551 HydrophobicContact CG-CH2 4.07Å; R202-W551 HydrophobicContact CG-CZ3 3.96Å; R202-E559 IonicContact CZ-OE1 2.67Å; R202-E559 IonicContact NH2-OE1 3.47Å; R202-E559 PolarHBondContact NH2-OE1 3.38Å
203	A	97.4	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.8	171.5	0	0	0	0	0	110.6	A127 L207 L219 T239 I240 M241	A127-A203 HydrophobicContact CB-CB 3.99Å; A203-L207 HydrophobicContact CB-CB 4.09Å; A203-L207 HydrophobicContact CB-CD1 3.42Å; A203-L207 VanDerWaalsContact CB-CD1 3.42Å; A203-L207 HydrophobicContact CB-CG 3.88Å; A203-L219 HydrophobicContact CB-CD2 4.27Å; A203-T239 PolarHBondContact N-O 3.17Å; A203-I240 WeakPolarHBondContact O-CA 3.28Å; A203-M241 PolarHBondContact O-N 3.15Å
204	T	95.5	Very high	94.7	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.049	21%	0.212	C	C	.	.			trans	-98.2	-148.4	-177.4	67	0	0	0	0	110.9	A127 G128 G206 L207 M241 E246 W551	A127-T204 PolarHBondContact O-N 3.19Å; A127-T204 VanDerWaalsContact O-N 3.09Å; G128-T204 WeakPolarHBondContact CA-OG1 3.49Å; T204-G206 PolarHBondContact O-N 3.41Å; T204-G206 VanDerWaalsContact O-N 3.08Å; T204-L207 PolarHBondContact O-N 3.25Å; T204-M241 HydrophobicContact CG2-CE 3.96Å; T204-E246 HydrophobicContact CG2-CG 4.47Å; T204-W551 HydrophobicContact CG2-CZ2 4.17Å
205	A	92.6	Very high	94.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-54.4	-30.4	-173.1	0	0	0	0	0	114.5	L207 R208 L209 G289 L333	A205-L207 VanDerWaalsContact C-N 3.34Å; A205-L207 PolarHBondContact O-N 3.02Å; A205-R208 WeakPolarHBondContact O-CB 3.38Å; A205-R208 PolarHBondContact O-N 3.41Å; A205-L209 WeakPolarHBondContact O-CG 3.49Å; A205-L209 PolarHBondContact O-N 3.22Å; A205-G289 VanDerWaalsContact CB-C 3.48Å; A205-L333 HydrophobicContact CB-CD1 3.8Å
206	G	91.1	Very high	94.9	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-55	-46.1	-178.4	0	0	0	0	0	113.3	S165 T204	S165-G206 VanDerWaalsContact CB-O 3.23Å; S165-G206 WeakPolarHBondContact CB-O 3.28Å; T204-G206 PolarHBondContact O-N 3.41Å; T204-G206 VanDerWaalsContact O-N 3.08Å
207	L	94.1	Very high	95.1	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-81.6	-20.3	176.4	-67.2	-169.5	0	0	0	113.2	L164 A203 T204 A205 L209 I210 A215 I218 L219 I240	L164-L207 HydrophobicContact CB-CD2 4.34Å; A203-L207 HydrophobicContact CB-CB 4.09Å; A203-L207 HydrophobicContact CB-CD1 3.42Å; A203-L207 VanDerWaalsContact CB-CD1 3.42Å; A203-L207 HydrophobicContact CB-CG 3.88Å; T204-L207 PolarHBondContact O-N 3.25Å; A205-L207 VanDerWaalsContact C-N 3.34Å; A205-L207 PolarHBondContact O-N 3.02Å; L207-L209 VanDerWaalsContact C-N 3.27Å; L207-I210 HydrophobicContact CD2-CD1 3.66Å; L207-I210 HydrophobicContact CD2-CG1 4.38Å; L207-I210 WeakPolarHBondContact O-CG1 3.37Å; L207-A215 HydrophobicContact CB-CB 4.09Å; L207-I218 HydrophobicContact CD1-CG2 4.27Å; L207-I218 HydrophobicContact CD2-CD1 3.9Å; L207-L219 HydrophobicContact CD1-CD2 3.79Å; L207-L219 HydrophobicContact CD1-CG 4.03Å; L207-I240 HydrophobicContact CB-CD1 4.24Å; L207-I240 HydrophobicContact CB-CG1 4.48Å
208	R	93.3	Very high	95.2	Very high	58 Å²	58	31.4 Å²	31.4	22%	0.219	17%	0.17	C	C	.	.	H	α-helix	trans	-69.8	-25.2	172.7	-65.4	-175.4	-87.7	147.3	-1.3	112.5	A205 I240 E246 S290 L333	A205-R208 WeakPolarHBondContact O-CB 3.38Å; A205-R208 PolarHBondContact O-N 3.41Å; R208-I240 HydrophobicContact CG-CG2 3.47Å; R208-I240 VanDerWaalsContact CG-CG2 3.47Å; R208-E246 IonicContact CZ-OE2 3.57Å; R208-E246 IonicContact NH2-OE2 3.87Å; R208-E246 PolarHBondContact NH2-OE2 2.89Å; R208-S290 PolarHBondContact NH2-OG 3.23Å; R208-S290 VanDerWaalsContact NH2-OG 3.15Å; R208-L333 HydrophobicContact CB-CD1 4.07Å; R208-L333 HydrophobicContact CB-CD2 4.28Å
209	L	90.1	Very high	95.3	Very high	58 Å²	58	31 Å²	31	30%	0.304	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.8	-179	-69.8	171.6	0	0	0	114.2	A205 L207 L333 E442	A205-L209 WeakPolarHBondContact O-CG 3.49Å; A205-L209 PolarHBondContact O-N 3.22Å; L207-L209 VanDerWaalsContact C-N 3.27Å; L209-L333 HydrophobicContact CD2-CD1 3.97Å; L209-L333 HydrophobicContact CD2-CD2 4.2Å; L209-L333 HydrophobicContact CD2-CG 3.91Å; L209-L333 HydrophobicContact CG-CD1 4.06Å; L209-E442 HydrophobicContact CD2-CB 4.38Å
210	I	90.3	Very high	95.4	Very high	41 Å²	41	37.8 Å²	37.8	21%	0.21	20%	0.197	C	C	.	.	S	Bend	trans	-109.6	166.8	174.8	70.5	174.1	0	0	0	110.8	A168 L207 A212 K214 A215 I218	A168-I210 HydrophobicContact CB-CD1 4.19Å; L207-I210 HydrophobicContact CD2-CD1 3.66Å; L207-I210 HydrophobicContact CD2-CG1 4.38Å; L207-I210 WeakPolarHBondContact O-CG1 3.37Å; I210-A212 PolarHBondContact O-N 3.18Å; I210-K214 HydrophobicContact CD1-CB 4Å; I210-A215 HydrophobicContact CD1-CB 4.18Å; I210-A215 HydrophobicContact CG1-CB 4.02Å; I210-I218 HydrophobicContact CD1-CD1 4.19Å
211	S	92.3	Very high	95.5	Very high	63 Å²	63	37.8 Å²	37.8	44%	0.441	20%	0.198	S	C	.	.			trans	-57.9	138.2	178.5	63.3	0	0	0	0	111.7	H213 K214 A215	S211-H213 PolarHBondContact O-N 3.35Å; S211-H213 VanDerWaalsContact O-N 3.12Å; S211-K214 PolarHBondContact O-N 3.33Å; S211-K214 WeakPolarHBondContact OG-CB 3.37Å; S211-K214 WeakPolarHBondContact OG-CD 3.3Å; S211-K214 WeakPolarHBondContact OG-CG 3.1Å; S211-A215 PolarHBondContact O-N 3.05Å; S211-A215 VanDerWaalsContact O-N 3.08Å
212	A	94.4	Very high	95.5	Very high	81 Å²	81	37.8 Å²	37.8	67%	0.669	20%	0.198	S	C	*	.	H	α-helix	trans	-51.9	-39.5	-177.4	0	0	0	0	0	113.6	I210 A215 E216	I210-A212 PolarHBondContact O-N 3.18Å; A212-A215 PolarHBondContact O-N 2.91Å; A212-E216 WeakPolarHBondContact O-CB 3.22Å; A212-E216 PolarHBondContact O-N 3.3Å
213	H	96.4	Very high	95.5	Very high	132 Å²	132	40.8 Å²	40.8	61%	0.611	21%	0.209	S	C	*	.	H	α-helix	trans	-62.8	-44.8	177.2	175.3	-106.6	0	0	0	112.9	S211 E216 N217	S211-H213 PolarHBondContact O-N 3.35Å; S211-H213 VanDerWaalsContact O-N 3.12Å; H213-E216 PolarHBondContact O-N 2.98Å; H213-N217 PolarHBondContact CE1-ND2 2.97Å; H213-N217 PolarHBondContact ND1-ND2 2.98Å; H213-N217 PolarHBondContact NE2-ND2 2.77Å; H213-N217 WeakPolarHBondContact O-CB 3.44Å; H213-N217 PolarHBondContact O-N 3.47Å; H213-N217 PolarHBondContact O-ND2 3.43Å
214	K	95.6	Very high	95.5	Very high	67 Å²	67	45.7 Å²	45.7	29%	0.291	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-43	177.1	-69.3	179	-174.2	177	0	111.6	A168 E169 I210 S211 N217 I218	A168-K214 HydrophobicContact CB-CD 4.2Å; E169-K214 WeakPolarHBondContact OE1-CE 3.44Å; E169-K214 IonicContact OE1-NZ 3.43Å; E169-K214 PolarHBondContact OE1-NZ 2.81Å; E169-K214 IonicContact OE2-NZ 3.7Å; I210-K214 HydrophobicContact CD1-CB 4Å; S211-K214 PolarHBondContact O-N 3.33Å; S211-K214 WeakPolarHBondContact OG-CB 3.37Å; S211-K214 WeakPolarHBondContact OG-CD 3.3Å; S211-K214 WeakPolarHBondContact OG-CG 3.1Å; K214-N217 PolarHBondContact O-N 3.11Å; K214-I218 PolarHBondContact O-N 2.92Å; K214-I218 VanDerWaalsContact O-N 3.11Å
215	A	96.7	Very high	95.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-46.6	175.6	0	0	0	0	0	111.4	L207 I210 S211 A212 N217 I218 L219 I240	L207-A215 HydrophobicContact CB-CB 4.09Å; I210-A215 HydrophobicContact CD1-CB 4.18Å; I210-A215 HydrophobicContact CG1-CB 4.02Å; S211-A215 PolarHBondContact O-N 3.05Å; S211-A215 VanDerWaalsContact O-N 3.08Å; A212-A215 PolarHBondContact O-N 2.91Å; A215-N217 PolarHBondContact O-N 3.08Å; A215-I218 PolarHBondContact O-N 2.87Å; A215-L219 WeakPolarHBondContact O-CG 3.46Å; A215-L219 PolarHBondContact O-N 3.13Å; A215-I240 HydrophobicContact CB-CD1 3.92Å
216	E	97.8	Very high	95.7	Very high	63 Å²	63	47.1 Å²	47.1	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-66.4	-37.5	179.8	-174.2	52.7	-141.9	0	0	112.5	A212 H213 I218 L219 K220 R223	A212-E216 WeakPolarHBondContact O-CB 3.22Å; A212-E216 PolarHBondContact O-N 3.3Å; H213-E216 PolarHBondContact O-N 2.98Å; E216-I218 PolarHBondContact O-N 2.94Å; E216-L219 PolarHBondContact O-N 2.88Å; E216-K220 WeakPolarHBondContact O-CB 3.42Å; E216-K220 PolarHBondContact O-N 3.25Å; E216-R223 IonicContact OE1-CZ 3.6Å; E216-R223 IonicContact OE1-NH1 2.64Å; E216-R223 PolarHBondContact OE1-NH1 3.21Å; E216-R223 IonicContact OE1-NH2 3.55Å; E216-R223 PolarHBondContact OE1-NH2 3.31Å; E216-R223 IonicContact OE2-NH2 3.94Å
217	N	98.1	Very high	96	Very high	54 Å²	54	50.1 Å²	50.1	29%	0.289	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-43.6	174.7	-71.9	-20.2	0	0	0	112	P171 H213 K214 A215 K220 A221	P171-N217 HydrophobicContact CB-CB 4.37Å; P171-N217 HydrophobicContact CG-CB 3.75Å; H213-N217 PolarHBondContact CE1-ND2 2.97Å; H213-N217 PolarHBondContact ND1-ND2 2.98Å; H213-N217 PolarHBondContact NE2-ND2 2.77Å; H213-N217 WeakPolarHBondContact O-CB 3.44Å; H213-N217 PolarHBondContact O-N 3.47Å; H213-N217 PolarHBondContact O-ND2 3.43Å; K214-N217 PolarHBondContact O-N 3.11Å; A215-N217 PolarHBondContact O-N 3.08Å; N217-K220 PolarHBondContact O-N 2.82Å; N217-A221 PolarHBondContact O-N 3.25Å; N217-A221 VanDerWaalsContact O-N 3.12Å
218	I	98.2	Very high	96.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-49.6	172.5	-73.2	166.9	0	0	0	110.4	L164 P171 A174 L207 I210 K214 A215 E216 K220 A221 V222	L164-I218 HydrophobicContact CB-CG2 4.14Å; L164-I218 HydrophobicContact CD1-CG2 4.13Å; L164-I218 WeakPolarHBondContact O-CD1 3.2Å; P171-I218 HydrophobicContact CB-CG1 4.41Å; A174-I218 HydrophobicContact CB-CG1 4.14Å; A174-I218 HydrophobicContact CB-CG2 3.95Å; L207-I218 HydrophobicContact CD1-CG2 4.27Å; L207-I218 HydrophobicContact CD2-CD1 3.9Å; I210-I218 HydrophobicContact CD1-CD1 4.19Å; K214-I218 PolarHBondContact O-N 2.92Å; K214-I218 VanDerWaalsContact O-N 3.11Å; A215-I218 PolarHBondContact O-N 2.87Å; E216-I218 PolarHBondContact O-N 2.94Å; I218-K220 VanDerWaalsContact C-N 3.28Å; I218-K220 PolarHBondContact O-N 3.45Å; I218-A221 PolarHBondContact O-N 2.92Å; I218-V222 HydrophobicContact CG2-CG2 4.34Å; I218-V222 VanDerWaalsContact O-CG2 3.31Å; I218-V222 WeakPolarHBondContact O-CG2 3.41Å; I218-V222 PolarHBondContact O-N 3.46Å
219	L	98.3	Very high	96.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-34.1	-178.4	-66.1	175.8	0	0	0	112.3	L201 A203 L207 A215 E216 V222 R223 V238 I240	L201-L219 HydrophobicContact CD2-CD2 4.25Å; A203-L219 HydrophobicContact CB-CD2 4.27Å; L207-L219 HydrophobicContact CD1-CD2 3.79Å; L207-L219 HydrophobicContact CD1-CG 4.03Å; A215-L219 WeakPolarHBondContact O-CG 3.46Å; A215-L219 PolarHBondContact O-N 3.13Å; E216-L219 PolarHBondContact O-N 2.88Å; L219-V222 PolarHBondContact O-N 3.35Å; L219-R223 VanDerWaalsContact O-CG 3.31Å; L219-R223 WeakPolarHBondContact O-CG 3.29Å; L219-R223 PolarHBondContact O-N 3.18Å; L219-V238 HydrophobicContact CB-CG1 4.16Å; L219-V238 HydrophobicContact CD2-CG1 3.7Å; L219-V238 HydrophobicContact CG-CG1 4.48Å; L219-I240 HydrophobicContact CD1-CD1 4.32Å; L219-I240 HydrophobicContact CD1-CG1 3.58Å
220	K	98	Very high	96.5	Very high	142 Å²	142	53.5 Å²	53.5	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-62.7	-47.2	173.4	-177	178.1	177.8	-178.1	0	111.9	E216 N217 I218 V222 R223 H224	E216-K220 WeakPolarHBondContact O-CB 3.42Å; E216-K220 PolarHBondContact O-N 3.25Å; N217-K220 PolarHBondContact O-N 2.82Å; I218-K220 VanDerWaalsContact C-N 3.28Å; I218-K220 PolarHBondContact O-N 3.45Å; K220-V222 VanDerWaalsContact C-N 3.31Å; K220-V222 PolarHBondContact O-N 2.83Å; K220-R223 PolarHBondContact O-N 2.96Å; K220-H224 PolarHBondContact O-N 3.03Å
221	A	98.4	Very high	96.8	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-40.4	175.8	0	0	0	0	0	111.4	P171 A175 N217 I218 H224 R225	P171-A221 HydrophobicContact CB-CB 3.97Å; P171-A221 WeakPolarHBondContact O-CB 3.46Å; A175-A221 HydrophobicContact CB-CB 3.86Å; N217-A221 PolarHBondContact O-N 3.25Å; N217-A221 VanDerWaalsContact O-N 3.12Å; I218-A221 PolarHBondContact O-N 2.92Å; A221-H224 WeakPolarHBondContact O-CB 3.35Å; A221-H224 PolarHBondContact O-N 3.24Å; A221-R225 PolarHBondContact O-N 2.91Å
222	V	98.3	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-43.2	175.4	169.9	0	0	0	0	112.2	L164 A175 L178 L201 I218 L219 K220 H224 R225 L226 V238	L164-V222 HydrophobicContact CD1-CG2 4.2Å; A175-V222 HydrophobicContact CB-CG2 4.3Å; L178-V222 HydrophobicContact CD1-CG1 4Å; L178-V222 HydrophobicContact CD1-CG2 3.99Å; L201-V222 HydrophobicContact CD1-CG1 3.69Å; L201-V222 HydrophobicContact CD2-CG1 4.41Å; L201-V222 HydrophobicContact CG-CG1 4.5Å; I218-V222 HydrophobicContact CG2-CG2 4.34Å; I218-V222 VanDerWaalsContact O-CG2 3.31Å; I218-V222 WeakPolarHBondContact O-CG2 3.41Å; I218-V222 PolarHBondContact O-N 3.46Å; L219-V222 PolarHBondContact O-N 3.35Å; K220-V222 VanDerWaalsContact C-N 3.31Å; K220-V222 PolarHBondContact O-N 2.83Å; V222-H224 VanDerWaalsContact C-N 3.3Å; V222-H224 PolarHBondContact O-N 3.31Å; V222-R225 PolarHBondContact O-N 2.86Å; V222-L226 HydrophobicContact CG1-CD1 4.25Å; V222-L226 PolarHBondContact O-N 3.3Å; V222-V238 HydrophobicContact CB-CG1 4.21Å; V222-V238 HydrophobicContact CG1-CG1 3.72Å; V222-V238 HydrophobicContact CG1-CG2 4.2Å
223	R	97.9	Very high	96.6	Very high	76 Å²	76	52.7 Å²	52.7	29%	0.287	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-45.4	173.9	-76.6	-179.9	-153.4	111.1	-4.8	110.9	E216 L219 K220 L226 S227 V238	E216-R223 IonicContact OE1-CZ 3.6Å; E216-R223 IonicContact OE1-NH1 2.64Å; E216-R223 PolarHBondContact OE1-NH1 3.21Å; E216-R223 IonicContact OE1-NH2 3.55Å; E216-R223 PolarHBondContact OE1-NH2 3.31Å; E216-R223 IonicContact OE2-NH2 3.94Å; L219-R223 VanDerWaalsContact O-CG 3.31Å; L219-R223 WeakPolarHBondContact O-CG 3.29Å; L219-R223 PolarHBondContact O-N 3.18Å; K220-R223 PolarHBondContact O-N 2.96Å; R223-L226 PolarHBondContact O-N 3.38Å; R223-S227 WeakPolarHBondContact O-CB 3.37Å; R223-S227 PolarHBondContact O-N 2.94Å; R223-V238 HydrophobicContact CG-CB 3.44Å; R223-V238 VanDerWaalsContact CG-CB 3.44Å; R223-V238 HydrophobicContact CG-CG1 3.89Å; R223-V238 HydrophobicContact CG-CG2 3.71Å; R223-V238 PolarHBondContact NE-O 3.16Å; R223-V238 PolarHBondContact NH2-O 2.99Å
224	H	97.1	Very high	96.2	Very high	103 Å²	103	47.6 Å²	47.6	48%	0.477	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-48.4	176.1	-177.4	61.2	0	0	0	111.3	K220 A221 V222 L226 S227 Q228	K220-H224 PolarHBondContact O-N 3.03Å; A221-H224 WeakPolarHBondContact O-CB 3.35Å; A221-H224 PolarHBondContact O-N 3.24Å; V222-H224 VanDerWaalsContact C-N 3.3Å; V222-H224 PolarHBondContact O-N 3.31Å; H224-L226 PolarHBondContact O-N 2.85Å; H224-S227 WeakPolarHBondContact O-CB 3.34Å; H224-S227 PolarHBondContact O-N 3.46Å; H224-S227 VanDerWaalsContact O-N 3.14Å; H224-S227 PolarHBondContact O-OG 2.89Å; H224-Q228 PolarHBondContact NE2-NE2 2.49Å; H224-Q228 VanDerWaalsContact NE2-NE2 3.18Å
225	R	97.3	Very high	95.7	Very high	38 Å²	38	49.5 Å²	49.5	14%	0.143	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-39.7	179	179.8	61.9	-172.7	92.4	-4.7	113.5	A175 T179 I182 A221 V222 Q228	A175-R225 HydrophobicContact CB-CB 4.03Å; T179-R225 PolarHBondContact OG1-NE 3.39Å; I182-R225 HydrophobicContact CD1-CG 3.75Å; A221-R225 PolarHBondContact O-N 2.91Å; V222-R225 PolarHBondContact O-N 2.86Å; R225-Q228 PolarHBondContact O-N 3.41Å
226	L	96.9	Very high	95.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-72.7	-27.5	176	-73.2	-179.5	0	0	0	112.6	F125 I182 V199 L201 V222 R223 H224 Q228 T229 Q233 V238	F125-L226 HydrophobicContact CE2-CD2 4.21Å; I182-L226 HydrophobicContact CD1-CD2 3.92Å; I182-L226 HydrophobicContact CG1-CD2 4.05Å; V199-L226 HydrophobicContact CG2-CD1 4.36Å; V199-L226 HydrophobicContact CG2-CD2 4.29Å; L201-L226 HydrophobicContact CB-CD1 4.3Å; V222-L226 HydrophobicContact CG1-CD1 4.25Å; V222-L226 PolarHBondContact O-N 3.3Å; R223-L226 PolarHBondContact O-N 3.38Å; H224-L226 PolarHBondContact O-N 2.85Å; L226-Q228 PolarHBondContact O-N 3.38Å; L226-T229 HydrophobicContact CD2-CG2 4.41Å; L226-T229 PolarHBondContact O-N 2.93Å; L226-T229 PolarHBondContact O-OG1 3Å; L226-Q233 PolarHBondContact O-NE2 3.09Å; L226-V238 HydrophobicContact CD1-CG2 3.62Å
227	S	95.6	Very high	95	Very high	68 Å²	68	48.5 Å²	48.5	48%	0.476	25%	0.247	S	C	.	.	H	α-helix	trans	-66.6	-18.2	174.9	76.4	0	0	0	0	113.7	R223 H224	R223-S227 WeakPolarHBondContact O-CB 3.37Å; R223-S227 PolarHBondContact O-N 2.94Å; H224-S227 WeakPolarHBondContact O-CB 3.34Å; H224-S227 PolarHBondContact O-N 3.46Å; H224-S227 VanDerWaalsContact O-N 3.14Å; H224-S227 PolarHBondContact O-OG 2.89Å
228	Q	96.5	Very high	94.9	Very high	117 Å²	117	46 Å²	46	55%	0.547	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.3	178.6	-63.4	169.3	-29.3	0	0	113.3	H224 R225 L226	H224-Q228 PolarHBondContact NE2-NE2 2.49Å; H224-Q228 VanDerWaalsContact NE2-NE2 3.18Å; R225-Q228 PolarHBondContact O-N 3.41Å; L226-Q228 PolarHBondContact O-N 3.38Å
229	T	96.7	Very high	94.8	Very high	18 Å²	18	47.5 Å²	47.5	11%	0.11	24%	0.243	C	C	.	.	S	Bend	trans	-95.2	171.2	-178.9	74	0	0	0	0	111.5	I182 E186 L226 F231	I182-T229 HydrophobicContact CD1-CG2 4.49Å; I182-T229 HydrophobicContact CG2-CG2 3.48Å; I182-T229 VanDerWaalsContact CG2-CG2 3.48Å; E186-T229 WeakPolarHBondContact OE1-CA 3.48Å; E186-T229 VanDerWaalsContact OE1-CB 3.29Å; E186-T229 WeakPolarHBondContact OE1-CB 3.36Å; L226-T229 HydrophobicContact CD2-CG2 4.41Å; L226-T229 PolarHBondContact O-N 2.93Å; L226-T229 PolarHBondContact O-OG1 3Å; T229-F231 HydrophobicContact CG2-CD2 4.3Å; T229-F231 HydrophobicContact CG2-CE2 4.37Å; T229-F231 PolarHBondContact O-N 2.86Å; T229-F231 WeakPolarHBondContact OG1-CD2 3.44Å; T229-F231 PolarHBondContact OG1-N 2.93Å
230	C	96.3	Very high	94.8	Very high	54 Å²	54	50.6 Å²	50.6	37%	0.365	26%	0.258	S	S	.	.	S	Bend	trans	-74.8	-6.4	174.5	59.7	0	0	0	0	114.4	E186 C194 R195	E186-C230 PolarHBondContact OE1-N 3.06Å; E186-C230 PolarHBondContact OE1-SG 3.19Å; E186-C230 VanDerWaalsContact OE1-SG 3.35Å; C194-C230 CarbonylContact C-O 3.35Å; C194-C230 HydrophobicContact CB-CB 3.87Å; C194-C230 WeakPolarHBondContact CB-SG 3.21Å; C194-C230 WeakPolarHBondContact SG-CB 3.41Å; C194-C230 CovalentContact SG-SG 2.02Å; C194-C230 PolarHBondContact SG-SG 3.27Å; R195-C230 WeakPolarHBondContact CA-O 3.43Å; R195-C230 PolarHBondContact N-O 3.06Å
231	F	96.4	Very high	94.6	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.035	23%	0.231	C	C	.	.	S	Bend	trans	-70.8	154.5	-172.9	-56.1	-52.7	0	0	0	113.7	V123 A185 E186 L189 C194 V199 T229 Q233	V123-F231 HydrophobicContact CG2-CD1 4.3Å; V123-F231 HydrophobicContact CG2-CE1 3.89Å; V123-F231 HydrophobicContact CG2-CZ 4.3Å; A185-F231 HydrophobicContact CB-CE1 4.45Å; A185-F231 HydrophobicContact CB-CE2 4.45Å; A185-F231 HydrophobicContact CB-CZ 3.67Å; E186-F231 HydrophobicContact CB-CZ 4.44Å; E186-F231 HydrophobicContact CG-CE1 4.03Å; E186-F231 HydrophobicContact CG-CE2 4.01Å; E186-F231 HydrophobicContact CG-CZ 3.49Å; E186-F231 VanDerWaalsContact CG-CZ 3.49Å; L189-F231 HydrophobicContact CD1-CD1 4.14Å; L189-F231 HydrophobicContact CD1-CE1 3.62Å; C194-F231 WeakPolarHBondContact SG-CD1 3.28Å; V199-F231 HydrophobicContact CB-CB 3.66Å; V199-F231 HydrophobicContact CB-CD2 3.84Å; V199-F231 HydrophobicContact CB-CG 3.84Å; V199-F231 HydrophobicContact CG1-CB 3.42Å; V199-F231 VanDerWaalsContact CG1-CB 3.42Å; V199-F231 HydrophobicContact CG1-CD2 4.02Å; V199-F231 HydrophobicContact CG1-CG 4.04Å; V199-F231 HydrophobicContact CG2-CD2 3.94Å; V199-F231 HydrophobicContact CG2-CG 4.42Å; T229-F231 HydrophobicContact CG2-CD2 4.3Å; T229-F231 HydrophobicContact CG2-CE2 4.37Å; T229-F231 PolarHBondContact O-N 2.86Å; T229-F231 WeakPolarHBondContact OG1-CD2 3.44Å; T229-F231 PolarHBondContact OG1-N 2.93Å; F231-Q233 PolarHBondContact O-N 3.08Å; F231-Q233 PolarHBondContact O-NE2 3.45Å
232	K	94.2	Very high	94.3	Very high	81 Å²	81	48.7 Å²	48.7	35%	0.352	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	114	170	-175.1	173.6	-178.5	164.5	0	110.2	R195 T197 V199 L234	R195-K232 WeakPolarHBondContact O-CB 3.41Å; T197-K232 WeakPolarHBondContact O-CB 3.21Å; T197-K232 PolarHBondContact O-N 2.87Å; V199-K232 PolarHBondContact N-O 2.95Å; K232-L234 PolarHBondContact O-N 3.32Å
233	Q	88.4	Confident	93.9	Very high	79 Å²	79	48.7 Å²	48.7	37%	0.369	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.2	173.4	-55.5	-56.9	-51.4	0	0	110.1	L226 F231	L226-Q233 PolarHBondContact O-NE2 3.09Å; F231-Q233 PolarHBondContact O-N 3.08Å; F231-Q233 PolarHBondContact O-NE2 3.45Å
234	L	88.6	Confident	93.6	Very high	26 Å²	26	46.5 Å²	46.5	14%	0.136	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	150.5	171.1	-62.9	-177.7	0	0	0	110.3	P198 I200 K232 N236 A237 E559	P198-L234 HydrophobicContact CB-CD1 3.66Å; P198-L234 HydrophobicContact CB-CD2 4.33Å; P198-L234 HydrophobicContact CB-CG 4.04Å; I200-L234 HydrophobicContact CG2-CD1 3.97Å; K232-L234 PolarHBondContact O-N 3.32Å; L234-N236 PolarHBondContact O-N 3.42Å; L234-A237 HydrophobicContact CB-CB 4.29Å; L234-A237 WeakPolarHBondContact O-CB 3.3Å; L234-A237 PolarHBondContact O-N 2.87Å; L234-A237 VanDerWaalsContact O-N 3.1Å; L234-E559 HydrophobicContact CD1-CB 4.11Å; L234-E559 HydrophobicContact CD1-CG 4.5Å
235	P	85.1	Confident	93.5	Very high	106 Å²	106	44.7 Å²	44.7	69%	0.688	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	137.3	163.1	-20.6	32.6	0	0	0	109.3	A237	P235-A237 PolarHBondContact O-N 2.84Å; P235-A237 VanDerWaalsContact O-N 3.17Å
236	N	86.8	Confident	93.4	Very high	37 Å²	37	43.2 Å²	43.2	20%	0.198	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57	28	-177.3	-52.2	-42.9	0	0	0	114.1	R202 L234 V238 T239	R202-N236 PolarHBondContact NH1-O 2.82Å; R202-N236 PolarHBondContact NH2-O 3.38Å; L234-N236 PolarHBondContact O-N 3.42Å; N236-V238 PolarHBondContact O-N 3.37Å; N236-V238 VanDerWaalsContact O-N 3.13Å; N236-T239 HydrophobicContact CB-CG2 4Å
237	A	91.5	Very high	93.3	Very high	7 Å²	7	43.1 Å²	43.1	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	-30.7	177.5	0	0	0	0	0	112.3	V199 I200 L201 R202 L234 P235	V199-A237 WeakPolarHBondContact O-CB 3.43Å; I200-A237 CarbonylContact C-O 3.59Å; I200-A237 VanDerWaalsContact CA-O 3.26Å; I200-A237 WeakPolarHBondContact CA-O 3.08Å; L201-A237 PolarHBondContact N-O 2.93Å; L201-A237 VanDerWaalsContact O-O 3.06Å; R202-A237 PolarHBondContact NH1-O 3.41Å; L234-A237 HydrophobicContact CB-CB 4.29Å; L234-A237 WeakPolarHBondContact O-CB 3.3Å; L234-A237 PolarHBondContact O-N 2.87Å; L234-A237 VanDerWaalsContact O-N 3.1Å; P235-A237 PolarHBondContact O-N 2.84Å; P235-A237 VanDerWaalsContact O-N 3.17Å
238	V	97.2	Very high	93.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	110	-177	-179.9	0	0	0	0	110	L201 L219 V222 R223 L226 N236	L201-V238 HydrophobicContact CB-CG1 4.41Å; L201-V238 HydrophobicContact CB-CG2 4.17Å; L201-V238 HydrophobicContact CD2-CG1 4.04Å; L201-V238 WeakPolarHBondContact O-CA 3.46Å; L219-V238 HydrophobicContact CB-CG1 4.16Å; L219-V238 HydrophobicContact CD2-CG1 3.7Å; L219-V238 HydrophobicContact CG-CG1 4.48Å; V222-V238 HydrophobicContact CB-CG1 4.21Å; V222-V238 HydrophobicContact CG1-CG1 3.72Å; V222-V238 HydrophobicContact CG1-CG2 4.2Å; R223-V238 HydrophobicContact CG-CB 3.44Å; R223-V238 VanDerWaalsContact CG-CB 3.44Å; R223-V238 HydrophobicContact CG-CG1 3.89Å; R223-V238 HydrophobicContact CG-CG2 3.71Å; R223-V238 PolarHBondContact NE-O 3.16Å; R223-V238 PolarHBondContact NH2-O 2.99Å; L226-V238 HydrophobicContact CD1-CG2 3.62Å; N236-V238 PolarHBondContact O-N 3.37Å; N236-V238 VanDerWaalsContact O-N 3.13Å
239	T	96.4	Very high	93.3	Very high	31 Å²	31	36.4 Å²	36.4	19%	0.19	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	163.5	-176.9	55.9	0	0	0	0	111.6	L201 R202 A203 N236	L201-T239 PolarHBondContact O-N 2.76Å; R202-T239 WeakPolarHBondContact CA-O 3.46Å; R202-T239 PolarHBondContact NH1-OG1 3.06Å; A203-T239 PolarHBondContact N-O 3.17Å; N236-T239 HydrophobicContact CB-CG2 4Å
240	I	96.5	Very high	93.3	Very high	65 Å²	65	35.6 Å²	35.6	33%	0.333	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.3	164.1	-52.7	-176.3	0	0	0	107.8	A203 L207 R208 A215 L219	A203-I240 WeakPolarHBondContact O-CA 3.28Å; L207-I240 HydrophobicContact CB-CD1 4.24Å; L207-I240 HydrophobicContact CB-CG1 4.48Å; R208-I240 HydrophobicContact CG-CG2 3.47Å; R208-I240 VanDerWaalsContact CG-CG2 3.47Å; A215-I240 HydrophobicContact CB-CD1 3.92Å; L219-I240 HydrophobicContact CD1-CD1 4.32Å; L219-I240 HydrophobicContact CD1-CG1 3.58Å
241	M	95	Very high	93.3	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.034	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-85.3	130.4	173.6	177.8	168.1	64.6	0	0	110	R202 A203 T204 E246 Y249 W551	R202-M241 HydrophobicContact CB-CB 3.83Å; R202-M241 HydrophobicContact CB-CE 4.31Å; R202-M241 HydrophobicContact CB-SD 4.27Å; R202-M241 HydrophobicContact CG-CB 4.29Å; R202-M241 HydrophobicContact CG-SD 4.31Å; A203-M241 PolarHBondContact O-N 3.15Å; T204-M241 HydrophobicContact CG2-CE 3.96Å; M241-E246 HydrophobicContact CE-CB 3.64Å; M241-E246 HydrophobicContact CE-CG 3.67Å; M241-E246 HydrophobicContact SD-CB 4.38Å; M241-Y249 HydrophobicContact SD-CD2 3.73Å; M241-Y249 HydrophobicContact SD-CE2 3.91Å; M241-W551 HydrophobicContact CE-CD2 3.47Å; M241-W551 VanDerWaalsContact CE-CD2 3.47Å; M241-W551 VanDerWaalsContact CE-CE2 3.49Å; M241-W551 HydrophobicContact CE-CE3 3.69Å; M241-W551 HydrophobicContact CE-CG 4Å; M241-W551 HydrophobicContact CE-CH2 4.12Å; M241-W551 HydrophobicContact CE-CZ2 3.77Å; M241-W551 HydrophobicContact CE-CZ3 4.04Å; M241-W551 HydrophobicContact SD-CD2 4.35Å; M241-W551 HydrophobicContact SD-CE3 4.01Å; M241-W551 HydrophobicContact SD-CZ3 4.3Å
242	D	92.3	Very high	93.1	Very high	98 Å²	98	33.9 Å²	33.9	52%	0.524	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-61.2	137.2	169	-164.9	-66.5	0	0	0	109.4	F244 Y245 E246	D242-F244 PolarHBondContact O-N 2.96Å; D242-F244 VanDerWaalsContact O-N 3.16Å; D242-F244 WeakPolarHBondContact OD1-CB 3.4Å; D242-F244 PolarHBondContact OD1-N 3.11Å; D242-Y245 HydrophobicContact CB-CD2 3.89Å; D242-Y245 PolarHBondContact O-N 3.39Å; D242-E246 PolarHBondContact O-N 3.37Å
243	G	89.7	Confident	93.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-25.3	-178.9	0	0	0	0	0	113.1	E246 G247 S331	G243-E246 WeakPolarHBondContact O-CB 3.18Å; G243-E246 PolarHBondContact O-N 3.18Å; G243-G247 PolarHBondContact O-N 2.98Å; G243-S331 VanDerWaalsContact CA-CB 3.44Å; G243-S331 WeakPolarHBondContact CA-OG 3.09Å; G243-S331 WeakPolarHBondContact O-CB 3.33Å
244	F	91.9	Very high	93.5	Very high	31 Å²	31	26.3 Å²	26.3	14%	0.136	14%	0.139	C	C	.	.	H	α-helix	trans	-57.8	-46.7	169.7	165.7	-89	0	0	0	111.8	D242 E246 G247 L248 T312 S329	D242-F244 PolarHBondContact O-N 2.96Å; D242-F244 VanDerWaalsContact O-N 3.16Å; D242-F244 WeakPolarHBondContact OD1-CB 3.4Å; D242-F244 PolarHBondContact OD1-N 3.11Å; F244-E246 VanDerWaalsContact C-N 3.34Å; F244-G247 PolarHBondContact O-N 2.63Å; F244-L248 HydrophobicContact CE1-CD2 4.03Å; F244-L248 HydrophobicContact CZ-CD2 4.19Å; F244-L248 WeakPolarHBondContact O-CB 3.2Å; F244-L248 PolarHBondContact O-N 3.37Å; F244-T312 HydrophobicContact CE2-CG2 3.7Å; F244-T312 HydrophobicContact CZ-CG2 3.4Å; F244-T312 WeakPolarHBondContact CZ-OG1 3.33Å; F244-S329 PolarHBondContact O-OG 2.97Å
245	Y	93.8	Very high	93.7	Very high	64 Å²	64	25.1 Å²	25.1	25%	0.251	13%	0.132	S	C	.	.	H	α-helix	trans	-70.7	-32.5	179.1	-73.6	-62	0	0	0	112.1	D242 G247 L248 Y249	D242-Y245 HydrophobicContact CB-CD2 3.89Å; D242-Y245 PolarHBondContact O-N 3.39Å; Y245-G247 VanDerWaalsContact C-N 3.35Å; Y245-G247 PolarHBondContact O-N 3Å; Y245-L248 HydrophobicContact CD1-CD2 4.24Å; Y245-L248 HydrophobicContact CE1-CD2 4.5Å; Y245-L248 PolarHBondContact O-N 3.22Å; Y245-Y249 HydrophobicContact CD1-CE1 4.32Å; Y245-Y249 HydrophobicContact CD1-CE2 4.4Å; Y245-Y249 AromaticContact CD1-CZ 3.93Å; Y245-Y249 HydrophobicContact CG-CE2 4.3Å; Y245-Y249 VanDerWaalsContact O-CB 3.3Å; Y245-Y249 WeakPolarHBondContact O-CB 3.45Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.39Å; Y245-Y249 PolarHBondContact O-N 2.93Å
246	E	95.5	Very high	94	Very high	7 Å²	7	20.8 Å²	20.8	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-54.5	-50.8	172.3	-164.6	175.7	148.9	0	0	110.9	T204 R208 M241 D242 G243 F244 L250 Q292 W551	T204-E246 HydrophobicContact CG2-CG 4.47Å; R208-E246 IonicContact CZ-OE2 3.57Å; R208-E246 IonicContact NH2-OE2 3.87Å; R208-E246 PolarHBondContact NH2-OE2 2.89Å; M241-E246 HydrophobicContact CE-CB 3.64Å; M241-E246 HydrophobicContact CE-CG 3.67Å; M241-E246 HydrophobicContact SD-CB 4.38Å; D242-E246 PolarHBondContact O-N 3.37Å; G243-E246 WeakPolarHBondContact O-CB 3.18Å; G243-E246 PolarHBondContact O-N 3.18Å; F244-E246 VanDerWaalsContact C-N 3.34Å; E246-L250 WeakPolarHBondContact O-CB 3.23Å; E246-L250 PolarHBondContact O-N 2.81Å; E246-L250 VanDerWaalsContact O-N 3.17Å; E246-Q292 HydrophobicContact CB-CG 4.48Å; E246-Q292 PolarHBondContact OE1-NE2 3.29Å; E246-Q292 PolarHBondContact OE2-NE2 3.28Å; E246-W551 HydrophobicContact CG-CG 4.34Å; E246-W551 WeakPolarHBondContact O-CB 3.48Å
247	G	96.1	Very high	94.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.6	-43.4	176.3	0	0	0	0	0	113.3	G243 F244 Y245 L250 W251 T294	G243-G247 PolarHBondContact O-N 2.98Å; F244-G247 PolarHBondContact O-N 2.63Å; Y245-G247 VanDerWaalsContact C-N 3.35Å; Y245-G247 PolarHBondContact O-N 3Å; G247-L250 PolarHBondContact O-N 3.04Å; G247-W251 WeakPolarHBondContact O-CB 3.43Å; G247-W251 PolarHBondContact O-N 2.75Å; G247-T294 WeakPolarHBondContact CA-OG1 3.47Å; G247-T294 PolarHBondContact O-OG1 3.01Å
248	L	95.1	Very high	94.2	Very high	18 Å²	18	21.3 Å²	21.3	9%	0.094	11%	0.105	C	C	.	.	H	α-helix	trans	-62.2	-44.7	179.9	-177.5	62.4	0	0	0	112.6	F244 Y245 W251 F252 I327	F244-L248 HydrophobicContact CE1-CD2 4.03Å; F244-L248 HydrophobicContact CZ-CD2 4.19Å; F244-L248 WeakPolarHBondContact O-CB 3.2Å; F244-L248 PolarHBondContact O-N 3.37Å; Y245-L248 HydrophobicContact CD1-CD2 4.24Å; Y245-L248 HydrophobicContact CE1-CD2 4.5Å; Y245-L248 PolarHBondContact O-N 3.22Å; L248-W251 HydrophobicContact CD1-CE3 4.26Å; L248-W251 PolarHBondContact O-N 3.42Å; L248-F252 WeakPolarHBondContact O-CB 3.39Å; L248-F252 PolarHBondContact O-N 2.6Å; L248-I327 HydrophobicContact CD1-CD1 3.71Å; L248-I327 HydrophobicContact CD1-CG2 4.2Å
249	Y	95.7	Very high	93.7	Very high	26 Å²	26	25.7 Å²	25.7	10%	0.102	13%	0.128	C	C	.	.	H	α-helix	trans	-71.5	-34	-179.5	-64.2	-32.8	0	0	0	112.4	M241 Y245 T253 W551 A555 S558	M241-Y249 HydrophobicContact SD-CD2 3.73Å; M241-Y249 HydrophobicContact SD-CE2 3.91Å; Y245-Y249 HydrophobicContact CD1-CE1 4.32Å; Y245-Y249 HydrophobicContact CD1-CE2 4.4Å; Y245-Y249 AromaticContact CD1-CZ 3.93Å; Y245-Y249 HydrophobicContact CG-CE2 4.3Å; Y245-Y249 VanDerWaalsContact O-CB 3.3Å; Y245-Y249 WeakPolarHBondContact O-CB 3.45Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.39Å; Y245-Y249 PolarHBondContact O-N 2.93Å; Y249-T253 WeakPolarHBondContact O-CB 3.31Å; Y249-T253 PolarHBondContact O-N 3.25Å; Y249-T253 PolarHBondContact O-OG1 3.07Å; Y249-W551 WeakPolarHBondContact CB-O 3.25Å; Y249-A555 HydrophobicContact CD2-CB 3.67Å; Y249-A555 HydrophobicContact CE2-CB 3.91Å; Y249-A555 HydrophobicContact CG-CB 4.22Å; Y249-S558 PolarHBondContact OH-OG 2.92Å; Y249-S558 VanDerWaalsContact OH-OG 3.08Å
250	L	97	Very high	93.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-48.9	170.3	177	63.3	0	0	0	111.3	E246 G247 F252 T253 L254 T283 D285 F471 I549 W551	E246-L250 WeakPolarHBondContact O-CB 3.23Å; E246-L250 PolarHBondContact O-N 2.81Å; E246-L250 VanDerWaalsContact O-N 3.17Å; G247-L250 PolarHBondContact O-N 3.04Å; L250-F252 VanDerWaalsContact C-N 3.3Å; L250-F252 PolarHBondContact O-N 3.06Å; L250-T253 PolarHBondContact O-N 3.11Å; L250-L254 PolarHBondContact O-N 3.05Å; L250-T283 HydrophobicContact CG-CG2 4.24Å; L250-D285 HydrophobicContact CD2-CB 3.56Å; L250-F471 HydrophobicContact CD1-CD2 4.25Å; L250-F471 HydrophobicContact CD1-CG 4.47Å; L250-F471 HydrophobicContact CD2-CD2 3.88Å; L250-F471 HydrophobicContact CD2-CG 4.47Å; L250-F471 HydrophobicContact CG-CD2 4.36Å; L250-I549 HydrophobicContact CD1-CG2 3.77Å; L250-W551 HydrophobicContact CB-CB 4.18Å
251	W	96.2	Very high	92.6	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-44.1	176.5	173.8	86.9	0	0	0	112	G247 L248 N255 L261 T280 I281 T283 T294 I296 I327	G247-W251 WeakPolarHBondContact O-CB 3.43Å; G247-W251 PolarHBondContact O-N 2.75Å; L248-W251 HydrophobicContact CD1-CE3 4.26Å; L248-W251 PolarHBondContact O-N 3.42Å; W251-N255 PolarHBondContact NE1-ND2 2.81Å; W251-N255 VanDerWaalsContact NE1-ND2 3.18Å; W251-N255 WeakPolarHBondContact O-CB 3.42Å; W251-N255 PolarHBondContact O-N 3.32Å; W251-N255 VanDerWaalsContact O-N 3.12Å; W251-N255 PolarHBondContact O-ND2 2.92Å; W251-L261 HydrophobicContact CH2-CD2 3.61Å; W251-L261 HydrophobicContact CZ2-CD2 4.27Å; W251-L261 HydrophobicContact CZ3-CD2 3.88Å; W251-T280 HydrophobicContact CH2-CG2 4.4Å; W251-T280 HydrophobicContact CZ2-CG2 3.69Å; W251-I281 PolarHBondContact NE1-O 3.28Å; W251-T283 HydrophobicContact CB-CG2 4.13Å; W251-T294 HydrophobicContact CB-CG2 3.48Å; W251-T294 VanDerWaalsContact CB-CG2 3.48Å; W251-T294 HydrophobicContact CD2-CG2 4.35Å; W251-T294 HydrophobicContact CG-CG2 3.68Å; W251-I296 HydrophobicContact CH2-CD1 3.75Å; W251-I296 HydrophobicContact CH2-CG1 4.21Å; W251-I296 HydrophobicContact CZ2-CD1 3.42Å; W251-I296 VanDerWaalsContact CZ2-CD1 3.42Å; W251-I296 HydrophobicContact CZ2-CG1 3.65Å; W251-I327 HydrophobicContact CE3-CD1 3.92Å; W251-I327 HydrophobicContact CH2-CD1 3.75Å; W251-I327 HydrophobicContact CZ2-CD1 4.37Å; W251-I327 HydrophobicContact CZ3-CD1 3.49Å; W251-I327 VanDerWaalsContact CZ3-CD1 3.49Å
252	F	92.9	Very high	91.4	Very high	25 Å²	25	26.9 Å²	26.9	11%	0.11	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-50.2	175.5	-177.5	-80.4	0	0	0	110.5	L248 L250 L254 N255 F256 L261 F314 F557	L248-F252 WeakPolarHBondContact O-CB 3.39Å; L248-F252 PolarHBondContact O-N 2.6Å; L250-F252 VanDerWaalsContact C-N 3.3Å; L250-F252 PolarHBondContact O-N 3.06Å; F252-L254 PolarHBondContact O-N 3.11Å; F252-N255 PolarHBondContact O-N 3.27Å; F252-F256 HydrophobicContact CD1-CB 4.26Å; F252-F256 HydrophobicContact CE1-CB 3.92Å; F252-F256 HydrophobicContact CE1-CD2 4.35Å; F252-F256 HydrophobicContact CE1-CG 4.24Å; F252-F256 WeakPolarHBondContact O-CB 3.48Å; F252-F256 PolarHBondContact O-N 2.92Å; F252-L261 HydrophobicContact CD1-CD1 4.27Å; F252-L261 HydrophobicContact CD2-CD1 3.66Å; F252-L261 HydrophobicContact CE1-CD1 4.02Å; F252-L261 HydrophobicContact CE2-CD1 3.42Å; F252-L261 VanDerWaalsContact CE2-CD1 3.42Å; F252-L261 HydrophobicContact CG-CD1 4.08Å; F252-L261 HydrophobicContact CZ-CD1 3.62Å; F252-F314 HydrophobicContact CD2-CE1 4.44Å; F252-F314 AromaticContact CD2-CE2 3.96Å; F252-F314 HydrophobicContact CD2-CE2 3.96Å; F252-F314 AromaticContact CD2-CZ 3.68Å; F252-F314 HydrophobicContact CD2-CZ 3.68Å; F252-F314 HydrophobicContact CE2-CE1 4.36Å; F252-F314 HydrophobicContact CE2-CE2 4.18Å; F252-F314 AromaticContact CE2-CZ 3.56Å; F252-F314 HydrophobicContact CE2-CZ 3.56Å; F252-F557 HydrophobicContact CD1-CD2 4.09Å; F252-F557 HydrophobicContact CE1-CB 4.44Å; F252-F557 AromaticContact CE1-CD2 3.37Å; F252-F557 HydrophobicContact CE1-CD2 3.37Å; F252-F557 AromaticContact CE1-CE2 3.92Å; F252-F557 HydrophobicContact CE1-CE2 3.92Å; F252-F557 HydrophobicContact CE1-CG 4.28Å; F252-F557 HydrophobicContact CZ-CD2 4.23Å
253	T	94.6	Very high	89.6	Confident	1 Å²	1	26 Å²	26	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-57.2	-49.5	-178.6	-60.5	0	0	0	0	111.6	Y249 L250 N255 F256 L257 N550 L553 G554	Y249-T253 WeakPolarHBondContact O-CB 3.31Å; Y249-T253 PolarHBondContact O-N 3.25Å; Y249-T253 PolarHBondContact O-OG1 3.07Å; L250-T253 PolarHBondContact O-N 3.11Å; T253-N255 PolarHBondContact O-N 2.84Å; T253-F256 PolarHBondContact O-N 2.9Å; T253-L257 HydrophobicContact CG2-CD1 3.89Å; T253-L257 WeakPolarHBondContact O-CG 2.97Å; T253-L257 PolarHBondContact O-N 3.03Å; T253-N550 WeakPolarHBondContact CB-O 3.17Å; T253-N550 VanDerWaalsContact CG2-O 3.29Å; T253-N550 WeakPolarHBondContact CG2-O 3.45Å; T253-N550 PolarHBondContact OG1-O 3.34Å; T253-L553 HydrophobicContact CG2-CB 3.85Å; T253-L553 HydrophobicContact CG2-CD2 4.06Å; T253-G554 PolarHBondContact OG1-N 3.45Å
254	L	95.7	Very high	87.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-47.7	179.5	177	63.7	0	0	0	111.8	L250 F252 L257 N258 I281 T283 Y469 F471 V544 I549	L250-L254 PolarHBondContact O-N 3.05Å; F252-L254 PolarHBondContact O-N 3.11Å; L254-L257 PolarHBondContact O-N 3.32Å; L254-N258 VanDerWaalsContact CD1-ND2 3.27Å; L254-N258 WeakPolarHBondContact CD1-ND2 3.42Å; L254-N258 WeakPolarHBondContact O-CB 3.34Å; L254-N258 PolarHBondContact O-N 3.34Å; L254-N258 PolarHBondContact O-ND2 3.08Å; L254-I281 HydrophobicContact CD2-CB 3.77Å; L254-I281 HydrophobicContact CD2-CD1 4.42Å; L254-I281 HydrophobicContact CD2-CG2 3.56Å; L254-I281 HydrophobicContact CG-CB 4.44Å; L254-I281 HydrophobicContact CG-CD1 4.41Å; L254-T283 HydrophobicContact CB-CG2 4.19Å; L254-T283 HydrophobicContact CD2-CG2 3.54Å; L254-Y469 HydrophobicContact CD1-CD2 3.99Å; L254-Y469 HydrophobicContact CD2-CD2 4.11Å; L254-Y469 HydrophobicContact CD2-CG 4.36Å; L254-F471 HydrophobicContact CD1-CZ 3.91Å; L254-F471 HydrophobicContact CD2-CE2 4.01Å; L254-F471 HydrophobicContact CD2-CZ 3.85Å; L254-F471 HydrophobicContact CG-CZ 4.38Å; L254-V544 HydrophobicContact CD1-CG2 4Å; L254-I549 HydrophobicContact CB-CG2 4.32Å; L254-I549 HydrophobicContact CD1-CD1 4.39Å; L254-I549 HydrophobicContact CD1-CG2 4.28Å
255	N	93.1	Very high	85.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-75.3	-30.5	-176.1	-74.8	-74	0	0	0	112.4	W251 F252 T253 N259 R260 L261 T280 I281	W251-N255 PolarHBondContact NE1-ND2 2.81Å; W251-N255 VanDerWaalsContact NE1-ND2 3.18Å; W251-N255 WeakPolarHBondContact O-CB 3.42Å; W251-N255 PolarHBondContact O-N 3.32Å; W251-N255 VanDerWaalsContact O-N 3.12Å; W251-N255 PolarHBondContact O-ND2 2.92Å; F252-N255 PolarHBondContact O-N 3.27Å; T253-N255 PolarHBondContact O-N 2.84Å; N255-N259 PolarHBondContact O-N 3.09Å; N255-N259 VanDerWaalsContact O-N 3.15Å; N255-R260 HydrophobicContact CB-CB 4.3Å; N255-R260 PolarHBondContact O-N 2.95Å; N255-L261 HydrophobicContact CB-CD1 4.49Å; N255-L261 HydrophobicContact CB-CD2 3.54Å; N255-L261 HydrophobicContact CB-CG 3.7Å; N255-T280 HydrophobicContact CB-CG2 4.39Å; N255-T280 WeakPolarHBondContact OD1-CA 3.2Å; N255-T280 VanDerWaalsContact OD1-CB 3.29Å; N255-T280 WeakPolarHBondContact OD1-CB 3.46Å; N255-I281 PolarHBondContact ND2-O 3.18Å; N255-I281 PolarHBondContact OD1-N 2.82Å
256	F	90.5	Very high	83	Confident	16 Å²	16	32.9 Å²	32.9	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-50.8	170.7	171.3	-100.1	0	0	0	110.5	K148 F150 L152 F252 T253 N258 N259 L261 L553 F557	K148-F256 HydrophobicContact CG-CE2 4.32Å; F150-F256 WeakPolarHBondContact O-CE2 3.42Å; F150-F256 VanDerWaalsContact O-CZ 3.22Å; F150-F256 WeakPolarHBondContact O-CZ 3.39Å; L152-F256 HydrophobicContact CB-CE1 4.49Å; F252-F256 HydrophobicContact CD1-CB 4.26Å; F252-F256 HydrophobicContact CE1-CB 3.92Å; F252-F256 HydrophobicContact CE1-CD2 4.35Å; F252-F256 HydrophobicContact CE1-CG 4.24Å; F252-F256 WeakPolarHBondContact O-CB 3.48Å; F252-F256 PolarHBondContact O-N 2.92Å; T253-F256 PolarHBondContact O-N 2.9Å; F256-N258 VanDerWaalsContact C-N 3.28Å; F256-N258 PolarHBondContact O-N 3.4Å; F256-N259 PolarHBondContact O-N 3.01Å; F256-N259 VanDerWaalsContact O-N 3.08Å; F256-L261 HydrophobicContact CB-CD1 3.71Å; F256-L553 HydrophobicContact CD1-CD2 3.83Å; F256-L553 HydrophobicContact CE1-CD2 3.97Å; F256-F557 AromaticContact CD1-CE2 3.88Å; F256-F557 HydrophobicContact CD1-CE2 3.88Å; F256-F557 HydrophobicContact CD1-CZ 4.42Å; F256-F557 HydrophobicContact CD2-CE2 4.15Å; F256-F557 AromaticContact CE1-CE2 3.77Å; F256-F557 HydrophobicContact CE1-CE2 3.77Å; F256-F557 AromaticContact CE1-CZ 3.84Å; F256-F557 HydrophobicContact CE1-CZ 3.84Å; F256-F557 HydrophobicContact CE2-CE2 4.05Å; F256-F557 HydrophobicContact CE2-CZ 4.08Å; F256-F557 HydrophobicContact CG-CE2 4.07Å; F256-F557 AromaticContact CZ-CE2 3.85Å; F256-F557 HydrophobicContact CZ-CE2 3.85Å; F256-F557 AromaticContact CZ-CZ 3.65Å; F256-F557 HydrophobicContact CZ-CZ 3.65Å
257	L	92	Very high	80.2	Confident	13 Å²	13	42.3 Å²	42.3	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-28.5	-178.6	-67.2	173.1	0	0	0	112.9	L152 T253 L254 V544 N545 F547 I549 L553	L152-L257 HydrophobicContact CB-CD2 4.42Å; L152-L257 HydrophobicContact CD2-CD2 3.92Å; T253-L257 HydrophobicContact CG2-CD1 3.89Å; T253-L257 WeakPolarHBondContact O-CG 2.97Å; T253-L257 PolarHBondContact O-N 3.03Å; L254-L257 PolarHBondContact O-N 3.32Å; L257-V544 HydrophobicContact CB-CG1 4.34Å; L257-N545 PolarHBondContact O-ND2 3.28Å; L257-F547 HydrophobicContact CD1-CB 4.14Å; L257-F547 HydrophobicContact CD2-CB 4.46Å; L257-F547 HydrophobicContact CD2-CD2 4.03Å; L257-F547 HydrophobicContact CD2-CG 4.47Å; L257-I549 HydrophobicContact CD1-CD1 3.37Å; L257-L553 HydrophobicContact CD2-CD2 4.25Å; L257-L553 HydrophobicContact CG-CD2 4.43Å
258	N	91.1	Very high	77.7	Confident	42 Å²	42	50.1 Å²	50.1	23%	0.225	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.4	173.6	-77.4	-76.8	0	0	0	114.4	L254 F256 R260 I281	L254-N258 VanDerWaalsContact CD1-ND2 3.27Å; L254-N258 WeakPolarHBondContact CD1-ND2 3.42Å; L254-N258 WeakPolarHBondContact O-CB 3.34Å; L254-N258 PolarHBondContact O-N 3.34Å; L254-N258 PolarHBondContact O-ND2 3.08Å; F256-N258 VanDerWaalsContact C-N 3.28Å; F256-N258 PolarHBondContact O-N 3.4Å; N258-R260 HydrophobicContact CB-CG 3.94Å; N258-R260 WeakPolarHBondContact O-CG 3.46Å; N258-R260 PolarHBondContact O-N 2.82Å; N258-I281 HydrophobicContact CB-CD1 4.27Å
259	N	86.3	Confident	75.3	Confident	93 Å²	93	56.8 Å²	56.8	50%	0.497	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	34.7	-175.4	-53.5	-63.9	0	0	0	114	K148 N255 F256	K148-N259 PolarHBondContact NZ-OD1 3.36Å; N255-N259 PolarHBondContact O-N 3.09Å; N255-N259 VanDerWaalsContact O-N 3.15Å; F256-N259 PolarHBondContact O-N 3.01Å; F256-N259 VanDerWaalsContact O-N 3.08Å
260	R	87.6	Confident	72.9	Confident	68 Å²	68	61.7 Å²	61.7	26%	0.257	31%	0.306	S	S	.	.			trans	-102.9	7	-179.4	-59.1	-160.4	-173.4	-167.2	10.5	114.1	N255 N258 Q279 T280 E467	N255-R260 HydrophobicContact CB-CB 4.3Å; N255-R260 PolarHBondContact O-N 2.95Å; N258-R260 HydrophobicContact CB-CG 3.94Å; N258-R260 WeakPolarHBondContact O-CG 3.46Å; N258-R260 PolarHBondContact O-N 2.82Å; R260-Q279 WeakPolarHBondContact CD-O 3.32Å; R260-Q279 PolarHBondContact NH1-O 2.77Å; R260-T280 HydrophobicContact CB-CG2 4.42Å; R260-T280 WeakPolarHBondContact O-CG2 3.34Å; R260-E467 IonicContact CZ-OE2 2.84Å; R260-E467 IonicContact NH1-OE2 2.7Å; R260-E467 PolarHBondContact NH1-OE2 2.85Å; R260-E467 IonicContact NH2-OE1 2.6Å; R260-E467 IonicContact NH2-OE2 3.65Å; R260-E467 PolarHBondContact NH2-OE2 3.43Å
261	L	83.5	Confident	70.6	Confident	16 Å²	16	64.4 Å²	64.4	8%	0.084	33%	0.329	C	S	.	.			trans	-92.2	-10.9	175.3	-66.5	179.3	0	0	0	114.3	W251 F252 N255 F256 Y263	W251-L261 HydrophobicContact CH2-CD2 3.61Å; W251-L261 HydrophobicContact CZ2-CD2 4.27Å; W251-L261 HydrophobicContact CZ3-CD2 3.88Å; F252-L261 HydrophobicContact CD1-CD1 4.27Å; F252-L261 HydrophobicContact CD2-CD1 3.66Å; F252-L261 HydrophobicContact CE1-CD1 4.02Å; F252-L261 HydrophobicContact CE2-CD1 3.42Å; F252-L261 VanDerWaalsContact CE2-CD1 3.42Å; F252-L261 HydrophobicContact CG-CD1 4.08Å; F252-L261 HydrophobicContact CZ-CD1 3.62Å; N255-L261 HydrophobicContact CB-CD1 4.49Å; N255-L261 HydrophobicContact CB-CD2 3.54Å; N255-L261 HydrophobicContact CB-CG 3.7Å; F256-L261 HydrophobicContact CB-CD1 3.71Å; L261-Y263 PolarHBondContact O-N 2.81Å
262	S	68.6	Low	67.9	Low	44 Å²	44	70.8 Å²	70.8	31%	0.308	36%	0.361	S	S	.	.			trans	-71.8	123.8	-172	-56.4	0	0	0	0	112	G264 S276	S262-G264 PolarHBondContact O-N 3.32Å; S262-S276 VanDerWaalsContact O-CB 3.29Å; S262-S276 WeakPolarHBondContact O-CB 3.34Å; S262-S276 PolarHBondContact O-OG 3.15Å
263	Y	55.2	Low	65.5	Low	81 Å²	81	72.9 Å²	72.9	32%	0.318	38%	0.375	S	S	.	.			trans	-76.5	71.9	168.3	-147.8	-83.1	0	0	0	110.1	L261 N275 L277	L261-Y263 PolarHBondContact O-N 2.81Å; Y263-N275 WeakPolarHBondContact CE2-OD1 3.46Å; Y263-L277 HydrophobicContact CD2-CD1 3.83Å; Y263-L277 HydrophobicContact CD2-CG 4.3Å; Y263-L277 HydrophobicContact CE2-CD1 3.93Å
264	G	49.7	Very low	63.3	Low	37 Å²	37	81.3 Å²	81.3	38%	0.381	42%	0.415	S	S	.	.			trans	-125.3	131.4	-178.9	0	0	0	0	0	110.3	S262 A266	S262-G264 PolarHBondContact O-N 3.32Å; G264-A266 VanDerWaalsContact C-N 3.32Å; G264-A266 PolarHBondContact O-N 2.88Å
265	K	41.8	Very low	61.3	Low	149 Å²	149	84 Å²	84	65%	0.648	43%	0.429	S	S	*	.			trans	-54.4	101.7	159	-68	165.1	176.2	-164.1	0	106.4	R267 M272	K265-R267 PolarHBondContact O-N 3.18Å; K265-M272 HydrophobicContact CD-CE 4.16Å; K265-M272 HydrophobicContact CD-SD 3.29Å; K265-M272 WeakPolarHBondContact CD-SD 3.47Å; K265-M272 WeakPolarHBondContact CE-SD 3.29Å; K265-M272 HydrophobicContact CG-SD 3.84Å; K265-M272 PolarHBondContact NZ-SD 2.86Å
266	A	45.1	Very low	59.8	Low	53 Å²	53	85 Å²	85	44%	0.438	44%	0.436	S	S	.	.			trans	-65.4	105.7	167.5	0	0	0	0	0	105.9	G264 K268 T273	G264-A266 VanDerWaalsContact C-N 3.32Å; G264-A266 PolarHBondContact O-N 2.88Å; A266-K268 PolarHBondContact O-N 3.25Å; A266-T273 PolarHBondContact O-OG1 3.31Å
267	R	36.9	Very low	58.8	Low	205 Å²	205	84.3 Å²	84.3	77%	0.774	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	84.7	169.4	-173.2	-179.3	-179.8	163.6	-0.5	107	K265 N270	K265-R267 PolarHBondContact O-N 3.18Å; R267-N270 PolarHBondContact NE-OD1 3.17Å; R267-N270 VanDerWaalsContact NE-OD1 3.09Å; R267-N270 PolarHBondContact NH2-OD1 3.43Å
268	K	42.3	Very low	58	Low	164 Å²	164	85.5 Å²	85.5	71%	0.713	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.4	163.4	-125.9	179.7	-179.9	-179.9	0	107	A266 N270 A271	A266-K268 PolarHBondContact O-N 3.25Å; K268-N270 PolarHBondContact O-N 2.93Å; K268-A271 PolarHBondContact O-N 3.42Å
269	N	46.2	Very low	57.7	Low	157 Å²	157	88.8 Å²	88.8	84%	0.84	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	50.7	174.7	-60.2	-8.1	0	0	0	115.1	A271	N269-A271 PolarHBondContact O-N 2.75Å
270	N	44.6	Very low	58	Low	129 Å²	129	84.3 Å²	84.3	69%	0.69	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	7.7	175.7	-66.7	-21.8	0	0	0	116.8	R267 K268	R267-N270 PolarHBondContact NE-OD1 3.17Å; R267-N270 VanDerWaalsContact NE-OD1 3.09Å; R267-N270 PolarHBondContact NH2-OD1 3.43Å; K268-N270 PolarHBondContact O-N 2.93Å
271	A	48.3	Very low	58.4	Low	59 Å²	59	81.1 Å²	81.1	49%	0.488	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.4	171	0	0	0	0	0	110.1	K268 N269 T273	K268-A271 PolarHBondContact O-N 3.42Å; N269-A271 PolarHBondContact O-N 2.75Å; A271-T273 PolarHBondContact O-N 2.91Å; A271-T273 VanDerWaalsContact O-N 3.1Å
272	M	39.4	Very low	59	Low	135 Å²	135	80.3 Å²	80.3	67%	0.665	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	105.5	167.2	-72.5	-104.6	-64.3	0	0	108.4	K265	K265-M272 HydrophobicContact CD-CE 4.16Å; K265-M272 HydrophobicContact CD-SD 3.29Å; K265-M272 WeakPolarHBondContact CD-SD 3.47Å; K265-M272 WeakPolarHBondContact CE-SD 3.29Å; K265-M272 HydrophobicContact CG-SD 3.84Å; K265-M272 PolarHBondContact NZ-SD 2.86Å
273	T	43.5	Very low	60.4	Low	68 Å²	68	78.3 Å²	78.3	42%	0.417	41%	0.405	S	S	.	.			trans	-83.3	138.4	173.9	1.1	0	0	0	0	109.8	A266 A271	A266-T273 PolarHBondContact O-OG1 3.31Å; A271-T273 PolarHBondContact O-N 2.91Å; A271-T273 VanDerWaalsContact O-N 3.1Å
274	E	48	Very low	62.5	Low	178 Å²	178	74.4 Å²	74.4	83%	0.832	39%	0.39	S	S	*	.			trans	-52.2	161	176	-74.3	-170.4	145.9	0	0	113.1	S276	E274-S276 PolarHBondContact O-N 3.18Å; E274-S276 VanDerWaalsContact O-N 3.08Å
275	N	53.4	Low	64.8	Low	57 Å²	57	73 Å²	73	31%	0.305	37%	0.373	S	S	.	.			trans	-26.4	105.1	179.6	-165.2	5.4	0	0	0	113.2	Y263 L277 A278	Y263-N275 WeakPolarHBondContact CE2-OD1 3.46Å; N275-L277 PolarHBondContact O-N 3.01Å; N275-A278 WeakPolarHBondContact O-CB 3.33Å; N275-A278 PolarHBondContact O-N 3.48Å
276	S	62.9	Low	67.4	Low	20 Å²	20	65.9 Å²	65.9	14%	0.14	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-49.8	-24.7	178.7	50.8	0	0	0	0	114	S262 E274 A278 Q279	S262-S276 VanDerWaalsContact O-CB 3.29Å; S262-S276 WeakPolarHBondContact O-CB 3.34Å; S262-S276 PolarHBondContact O-OG 3.15Å; E274-S276 PolarHBondContact O-N 3.18Å; E274-S276 VanDerWaalsContact O-N 3.08Å; S276-A278 PolarHBondContact O-N 3.39Å; S276-Q279 WeakPolarHBondContact O-CB 3.36Å; S276-Q279 PolarHBondContact O-N 3.08Å
277	L	69.5	Low	69.9	Low	2 Å²	2	64.1 Å²	64.1	1%	0.01	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-62	-26	175.7	-64.6	179	0	0	0	113.5	Y263 N275 Q279 T280 I296 V316 Q325	Y263-L277 HydrophobicContact CD2-CD1 3.83Å; Y263-L277 HydrophobicContact CD2-CG 4.3Å; Y263-L277 HydrophobicContact CE2-CD1 3.93Å; N275-L277 PolarHBondContact O-N 3.01Å; L277-Q279 PolarHBondContact O-N 3.36Å; L277-T280 HydrophobicContact CD2-CG2 4.37Å; L277-T280 WeakPolarHBondContact O-CB 3.41Å; L277-T280 VanDerWaalsContact O-CG2 3.31Å; L277-T280 WeakPolarHBondContact O-CG2 3.41Å; L277-T280 PolarHBondContact O-N 3.34Å; L277-T280 VanDerWaalsContact O-N 3.11Å; L277-T280 PolarHBondContact O-OG1 2.84Å; L277-I296 HydrophobicContact CB-CD1 3.87Å; L277-I296 HydrophobicContact CD2-CD1 4.39Å; L277-V316 HydrophobicContact CD1-CG2 4.03Å; L277-V316 HydrophobicContact CD2-CG2 4.35Å; L277-Q325 HydrophobicContact CD1-CB 4.09Å; L277-Q325 HydrophobicContact CD1-CG 3.9Å
278	A	73.4	Confident	72.6	Confident	39 Å²	39	54.5 Å²	54.5	32%	0.322	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-65.1	-13.3	171.3	0	0	0	0	0	112.7	N275 S276 T298 R466	N275-A278 WeakPolarHBondContact O-CB 3.33Å; N275-A278 PolarHBondContact O-N 3.48Å; S276-A278 PolarHBondContact O-N 3.39Å; A278-T298 HydrophobicContact CB-CG2 3.83Å; A278-R466 PolarHBondContact O-NH1 3.43Å; A278-R466 PolarHBondContact O-NH2 2.96Å; A278-R466 VanDerWaalsContact O-NH2 3.09Å
279	Q	85.2	Confident	75.1	Confident	110 Å²	110	46.8 Å²	46.8	51%	0.514	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-96.5	1	176.2	-58.4	-179.9	-5.1	0	0	112.9	R260 S276 L277	R260-Q279 WeakPolarHBondContact CD-O 3.32Å; R260-Q279 PolarHBondContact NH1-O 2.77Å; S276-Q279 WeakPolarHBondContact O-CB 3.36Å; S276-Q279 PolarHBondContact O-N 3.08Å; L277-Q279 PolarHBondContact O-N 3.36Å
280	T	92.9	Very high	77.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-60.3	144.3	176.8	54	0	0	0	0	111.1	W251 N255 R260 L277 I296 R466	W251-T280 HydrophobicContact CH2-CG2 4.4Å; W251-T280 HydrophobicContact CZ2-CG2 3.69Å; N255-T280 HydrophobicContact CB-CG2 4.39Å; N255-T280 WeakPolarHBondContact OD1-CA 3.2Å; N255-T280 VanDerWaalsContact OD1-CB 3.29Å; N255-T280 WeakPolarHBondContact OD1-CB 3.46Å; R260-T280 HydrophobicContact CB-CG2 4.42Å; R260-T280 WeakPolarHBondContact O-CG2 3.34Å; L277-T280 HydrophobicContact CD2-CG2 4.37Å; L277-T280 WeakPolarHBondContact O-CB 3.41Å; L277-T280 VanDerWaalsContact O-CG2 3.31Å; L277-T280 WeakPolarHBondContact O-CG2 3.41Å; L277-T280 PolarHBondContact O-N 3.34Å; L277-T280 VanDerWaalsContact O-N 3.11Å; L277-T280 PolarHBondContact O-OG1 2.84Å; T280-I296 HydrophobicContact CG2-CD1 4.16Å; T280-R466 PolarHBondContact O-NH2 3.49Å
281	I	95.5	Very high	80.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-83.4	127.6	177.6	-56.6	158.4	0	0	0	107.5	W251 L254 N255 N258 E467 Y469	W251-I281 PolarHBondContact NE1-O 3.28Å; L254-I281 HydrophobicContact CD2-CB 3.77Å; L254-I281 HydrophobicContact CD2-CD1 4.42Å; L254-I281 HydrophobicContact CD2-CG2 3.56Å; L254-I281 HydrophobicContact CG-CB 4.44Å; L254-I281 HydrophobicContact CG-CD1 4.41Å; N255-I281 PolarHBondContact ND2-O 3.18Å; N255-I281 PolarHBondContact OD1-N 2.82Å; N258-I281 HydrophobicContact CB-CD1 4.27Å; I281-E467 HydrophobicContact CG1-CG 4.42Å; I281-E467 HydrophobicContact CG2-CG 4.25Å; I281-Y469 HydrophobicContact CD1-CD2 4.44Å; I281-Y469 HydrophobicContact CD1-CE2 3.9Å; I281-Y469 HydrophobicContact CG2-CD1 3.73Å; I281-Y469 HydrophobicContact CG2-CD2 4.11Å; I281-Y469 HydrophobicContact CG2-CE1 4.02Å; I281-Y469 HydrophobicContact CG2-CE2 4.42Å; I281-Y469 HydrophobicContact CG2-CG 3.72Å
282	G	97.1	Very high	82.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	152.1	169.1	0	0	0	0	0	111.2	T294 E467 F468 Y469	G282-T294 CarbonylContact C-O 3.53Å; G282-T294 WeakPolarHBondContact CA-O 3.31Å; G282-E467 PolarHBondContact N-O 3.37Å; G282-F468 VanDerWaalsContact C-CD1 3.44Å; G282-F468 CarbonylContact O-C 3.6Å; G282-F468 VanDerWaalsContact O-CA 3.31Å; G282-F468 WeakPolarHBondContact O-CA 3.44Å; G282-Y469 PolarHBondContact O-N 3.2Å
283	T	98.2	Very high	85.2	Confident	1 Å²	1	24 Å²	24	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.7	-178.1	55.5	0	0	0	0	111	L250 W251 L254 I293 T294 Y469 F471	L250-T283 HydrophobicContact CG-CG2 4.24Å; W251-T283 HydrophobicContact CB-CG2 4.13Å; L254-T283 HydrophobicContact CB-CG2 4.19Å; L254-T283 HydrophobicContact CD2-CG2 3.54Å; T283-I293 WeakPolarHBondContact O-CA 3.16Å; T283-T294 PolarHBondContact N-O 3.09Å; T283-T294 PolarHBondContact O-N 3.1Å; T283-T294 PolarHBondContact OG1-O 3.37Å; T283-Y469 WeakPolarHBondContact CA-O 3.46Å; T283-F471 HydrophobicContact CG2-CE2 4.03Å
284	L	98.4	Very high	87.8	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.6	166.6	-58.6	172.5	0	0	0	107.6	Q292 I293 F468 Y469 A470 F471 Y474 L526 Y530 F532 I538	L284-Q292 WeakPolarHBondContact CA-O 3.33Å; L284-I293 HydrophobicContact CD2-CB 3.98Å; L284-I293 HydrophobicContact CD2-CD1 3.99Å; L284-I293 HydrophobicContact CD2-CG1 3.87Å; L284-F468 HydrophobicContact CD2-CD1 4.16Å; L284-F468 HydrophobicContact CD2-CE1 4.36Å; L284-F468 HydrophobicContact CG-CD1 3.98Å; L284-Y469 PolarHBondContact N-O 2.96Å; L284-A470 HydrophobicContact CB-CB 4.03Å; L284-A470 HydrophobicContact CD1-CB 4.36Å; L284-A470 CarbonylContact O-C 3.44Å; L284-A470 VanDerWaalsContact O-CA 3.31Å; L284-A470 WeakPolarHBondContact O-CA 3.28Å; L284-F471 PolarHBondContact O-N 2.97Å; L284-Y474 HydrophobicContact CB-CD2 4.34Å; L284-Y474 HydrophobicContact CB-CE2 3.85Å; L284-L526 HydrophobicContact CD1-CD2 3.74Å; L284-Y530 HydrophobicContact CD2-CD2 4.26Å; L284-Y530 HydrophobicContact CD2-CE2 4.06Å; L284-F532 HydrophobicContact CD1-CE2 3.58Å; L284-F532 HydrophobicContact CD1-CZ 3.74Å; L284-F532 HydrophobicContact CD2-CE2 4.06Å; L284-F532 HydrophobicContact CD2-CZ 4.19Å; L284-F532 HydrophobicContact CG-CE2 4.41Å; L284-F532 HydrophobicContact CG-CZ 4.39Å; L284-I538 HydrophobicContact CD1-CD1 4.18Å; L284-I538 HydrophobicContact CD1-CG2 4.47Å
285	D	97.8	Very high	90.1	Very high	7 Å²	7	12.3 Å²	12.3	4%	0.037	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.7	173.8	-162.1	7.4	0	0	0	109.4	L250 T291 Q292 S472	L250-D285 HydrophobicContact CD2-CB 3.56Å; D285-T291 CarbonylContact O-C 3.43Å; D285-T291 WeakPolarHBondContact O-CA 3.36Å; D285-T291 WeakPolarHBondContact O-CB 3.31Å; D285-T291 PolarHBondContact O-OG1 3.12Å; D285-Q292 HydrophobicContact CB-CB 4.14Å; D285-Q292 PolarHBondContact N-O 3.15Å; D285-Q292 PolarHBondContact O-N 2.8Å; D285-Q292 PolarHBondContact O-OE1 3.46Å; D285-S472 WeakPolarHBondContact OD1-CB 3.07Å; D285-S472 PolarHBondContact OD1-OG 2.84Å
286	L	97.7	Very high	91.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	95.8	174.2	-178.2	63.9	0	0	0	108.5	L335 L337 S472 Y473 Y474 F521 I522 L525	L286-L335 WeakPolarHBondContact CD1-O 3.14Å; L286-L337 HydrophobicContact CD2-CB 4.23Å; L286-L337 HydrophobicContact CD2-CD1 4.43Å; L286-L337 HydrophobicContact CG-CB 4.28Å; L286-S472 WeakPolarHBondContact O-CB 3.39Å; L286-Y473 WeakPolarHBondContact O-CB 3.37Å; L286-Y473 VanDerWaalsContact O-CD2 3.29Å; L286-Y473 WeakPolarHBondContact O-CD2 3.12Å; L286-Y473 PolarHBondContact O-N 3.43Å; L286-Y474 HydrophobicContact CB-CD2 3.43Å; L286-Y474 VanDerWaalsContact CB-CD2 3.43Å; L286-Y474 HydrophobicContact CB-CE2 3.38Å; L286-Y474 HydrophobicContact CB-CG 4.07Å; L286-Y474 HydrophobicContact CD2-CD1 4.28Å; L286-Y474 HydrophobicContact CD2-CD2 4.5Å; L286-Y474 HydrophobicContact CD2-CE1 4.19Å; L286-Y474 HydrophobicContact CD2-CE2 4.45Å; L286-Y474 HydrophobicContact CD2-CG 4.4Å; L286-Y474 HydrophobicContact CG-CE2 4.44Å; L286-F521 HydrophobicContact CD1-CE1 4.28Å; L286-I522 HydrophobicContact CD2-CD1 3.69Å; L286-I522 HydrophobicContact CD2-CG1 3.8Å; L286-L525 HydrophobicContact CD1-CD2 4.17Å
287	G	96.2	Very high	93.3	Very high	16 Å²	16	9.4 Å²	9.4	17%	0.165	6%	0.058	C	C	.	.			trans	-81.5	-174.1	170.1	0	0	0	0	0	111.8	S290 G336 L337	G287-S290 WeakPolarHBondContact CA-O 3.1Å; G287-S290 PolarHBondContact N-O 3.4Å; G287-G336 CarbonylContact O-C 3.54Å; G287-G336 WeakPolarHBondContact O-CA 3.13Å; G287-L337 PolarHBondContact O-N 2.96Å
288	G	95.1	Very high	94.2	Very high	3 Å²	3	12.9 Å²	12.9	3%	0.031	8%	0.079	C	C	.	.	S	Bend	trans	-76.2	-33.9	177.5	0	0	0	0	0	113.4	S129 G336 L337 M338 S339	S129-G288 WeakPolarHBondContact OG-CA 3.21Å; S129-G288 PolarHBondContact OG-N 3.02Å; G288-G336 CarbonylContact O-C 3.56Å; G288-G336 WeakPolarHBondContact O-CA 3.43Å; G288-L337 PolarHBondContact O-N 2.93Å; G288-M338 WeakPolarHBondContact O-CA 3.47Å; G288-M338 WeakPolarHBondContact O-CB 3.49Å; G288-M338 PolarHBondContact O-N 3.25Å; G288-S339 PolarHBondContact O-N 3.17Å; G288-S339 VanDerWaalsContact O-N 3.11Å
289	G	94.4	Very high	95	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	8%	0.08	C	C	.	.	S	Bend	trans	-111.6	-12.2	-177	0	0	0	0	0	116.1	S129 A205 G334	S129-G289 PolarHBondContact OG-N 3.19Å; A205-G289 VanDerWaalsContact CB-C 3.48Å; G289-G334 PolarHBondContact O-N 3.18Å
290	S	96.5	Very high	95.1	Very high	1 Å²	1	15 Å²	15	1%	0.007	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	165.2	174.5	59.4	0	0	0	0	111.9	R208 G287 Q292 Y332 G336	R208-S290 PolarHBondContact NH2-OG 3.23Å; R208-S290 VanDerWaalsContact NH2-OG 3.15Å; G287-S290 WeakPolarHBondContact CA-O 3.1Å; G287-S290 PolarHBondContact N-O 3.4Å; S290-Q292 PolarHBondContact OG-NE2 3.06Å; S290-Y332 VanDerWaalsContact CA-O 3.25Å; S290-Y332 WeakPolarHBondContact CA-O 3.18Å; S290-Y332 VanDerWaalsContact CB-O 3.3Å; S290-Y332 WeakPolarHBondContact CB-O 3.42Å; S290-G336 WeakPolarHBondContact O-CA 3.43Å
291	T	98	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.5	166.4	-178.7	0	0	0	0	109.8	D285 S331 Y332 L335 L525 Y530	D285-T291 CarbonylContact O-C 3.43Å; D285-T291 WeakPolarHBondContact O-CA 3.36Å; D285-T291 WeakPolarHBondContact O-CB 3.31Å; D285-T291 PolarHBondContact O-OG1 3.12Å; T291-S331 CarbonylContact O-C 3.55Å; T291-S331 WeakPolarHBondContact O-CA 3.2Å; T291-Y332 HydrophobicContact CG2-CD2 4.15Å; T291-Y332 PolarHBondContact N-O 2.89Å; T291-Y332 PolarHBondContact O-N 3.35Å; T291-L335 HydrophobicContact CG2-CB 3.87Å; T291-L525 HydrophobicContact CG2-CD1 4.31Å; T291-L525 HydrophobicContact CG2-CD2 4.06Å; T291-Y530 WeakPolarHBondContact CG2-OH 3.36Å; T291-Y530 PolarHBondContact OG1-OH 2.79Å; T291-Y530 VanDerWaalsContact OG1-OH 3.05Å
292	Q	98	Very high	94.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.8	-176.9	-64	78.2	-0.6	0	0	110.3	E246 L284 D285 S290 H330 S331	E246-Q292 HydrophobicContact CB-CG 4.48Å; E246-Q292 PolarHBondContact OE1-NE2 3.29Å; E246-Q292 PolarHBondContact OE2-NE2 3.28Å; L284-Q292 WeakPolarHBondContact CA-O 3.33Å; D285-Q292 HydrophobicContact CB-CB 4.14Å; D285-Q292 PolarHBondContact N-O 3.15Å; D285-Q292 PolarHBondContact O-N 2.8Å; D285-Q292 PolarHBondContact O-OE1 3.46Å; S290-Q292 PolarHBondContact OG-NE2 3.06Å; Q292-H330 WeakPolarHBondContact CA-O 3.23Å; Q292-S331 PolarHBondContact NE2-OG 3.12Å
293	I	98.1	Very high	94.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127	170.2	176.9	166.4	0	0	0	108.2	T283 L284 F295 Y328 S329 H330 Y332 P460 V463 F468 Y530	T283-I293 WeakPolarHBondContact O-CA 3.16Å; L284-I293 HydrophobicContact CD2-CB 3.98Å; L284-I293 HydrophobicContact CD2-CD1 3.99Å; L284-I293 HydrophobicContact CD2-CG1 3.87Å; I293-F295 HydrophobicContact CD1-CD1 4.42Å; I293-F295 HydrophobicContact CD1-CE1 4.26Å; I293-F295 HydrophobicContact CG1-CD1 4.13Å; I293-F295 HydrophobicContact CG1-CE1 4.34Å; I293-Y328 HydrophobicContact CG1-CE1 4.48Å; I293-Y328 HydrophobicContact CG2-CE1 3.85Å; I293-S329 WeakPolarHBondContact O-CA 3.13Å; I293-H330 PolarHBondContact N-O 3.1Å; I293-H330 VanDerWaalsContact N-O 3.1Å; I293-H330 PolarHBondContact O-N 2.81Å; I293-H330 VanDerWaalsContact O-N 3.09Å; I293-Y332 HydrophobicContact CG2-CE2 4.06Å; I293-P460 HydrophobicContact CD1-CG 4.13Å; I293-V463 HydrophobicContact CD1-CG1 4.02Å; I293-F468 HydrophobicContact CD1-CE1 4.19Å; I293-F468 HydrophobicContact CD1-CZ 4.38Å; I293-F468 HydrophobicContact CG1-CE1 4.07Å; I293-Y530 HydrophobicContact CB-CD1 4.42Å; I293-Y530 HydrophobicContact CB-CE1 3.76Å; I293-Y530 HydrophobicContact CD1-CD1 3.79Å; I293-Y530 HydrophobicContact CD1-CE1 4.02Å; I293-Y530 HydrophobicContact CD1-CG 4.39Å; I293-Y530 HydrophobicContact CG1-CE1 4.5Å; I293-Y530 HydrophobicContact CG2-CD1 4.31Å; I293-Y530 HydrophobicContact CG2-CE1 3.58Å
294	T	97.4	Very high	93.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	127.3	177.5	-58.4	0	0	0	0	112.3	G247 W251 G282 T283 I327 Y328 S329	G247-T294 WeakPolarHBondContact CA-OG1 3.47Å; G247-T294 PolarHBondContact O-OG1 3.01Å; W251-T294 HydrophobicContact CB-CG2 3.48Å; W251-T294 VanDerWaalsContact CB-CG2 3.48Å; W251-T294 HydrophobicContact CD2-CG2 4.35Å; W251-T294 HydrophobicContact CG-CG2 3.68Å; G282-T294 CarbonylContact C-O 3.53Å; G282-T294 WeakPolarHBondContact CA-O 3.31Å; T283-T294 PolarHBondContact N-O 3.09Å; T283-T294 PolarHBondContact O-N 3.1Å; T283-T294 PolarHBondContact OG1-O 3.37Å; T294-I327 HydrophobicContact CG2-CG2 3.62Å; T294-Y328 CarbonylContact C-O 3.55Å; T294-Y328 VanDerWaalsContact CA-O 3.23Å; T294-Y328 WeakPolarHBondContact CA-O 3.4Å; T294-S329 WeakPolarHBondContact OG1-CB 3.46Å; T294-S329 PolarHBondContact OG1-OG 2.67Å
295	F	95.9	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	163.3	176.2	67.9	-78.3	0	0	0	111.4	I293 P297 T302 Y328 P460 E462 R466 F468	I293-F295 HydrophobicContact CD1-CD1 4.42Å; I293-F295 HydrophobicContact CD1-CE1 4.26Å; I293-F295 HydrophobicContact CG1-CD1 4.13Å; I293-F295 HydrophobicContact CG1-CE1 4.34Å; F295-P297 HydrophobicContact CE2-CB 4.34Å; F295-P297 HydrophobicContact CE2-CG 4.14Å; F295-P297 WeakPolarHBondContact O-CD 3.29Å; F295-T302 HydrophobicContact CE2-CG2 4.12Å; F295-T302 HydrophobicContact CZ-CG2 3.95Å; F295-Y328 AromaticContact CD1-CD1 3.91Å; F295-Y328 HydrophobicContact CD1-CD1 3.91Å; F295-Y328 HydrophobicContact CD1-CG 4.31Å; F295-Y328 AromaticContact CE1-CD1 3.35Å; F295-Y328 HydrophobicContact CE1-CD1 3.35Å; F295-Y328 HydrophobicContact CE1-CD2 4.4Å; F295-Y328 AromaticContact CE1-CE1 3.95Å; F295-Y328 HydrophobicContact CE1-CE1 3.95Å; F295-Y328 AromaticContact CE1-CG 3.61Å; F295-Y328 HydrophobicContact CE1-CG 3.61Å; F295-Y328 HydrophobicContact CZ-CD1 4.14Å; F295-Y328 HydrophobicContact CZ-CD2 4.41Å; F295-Y328 AromaticContact CZ-CG 3.93Å; F295-Y328 HydrophobicContact CZ-CG 3.93Å; F295-Y328 PolarHBondContact N-O 3.36Å; F295-Y328 PolarHBondContact O-N 3.09Å; F295-P460 HydrophobicContact CE1-CB 4.08Å; F295-P460 HydrophobicContact CE1-CG 3.86Å; F295-P460 HydrophobicContact CZ-CB 3.7Å; F295-P460 HydrophobicContact CZ-CG 4.01Å; F295-E462 HydrophobicContact CE2-CB 4Å; F295-R466 HydrophobicContact CD2-CG 4.42Å; F295-F468 HydrophobicContact CB-CE1 4.11Å; F295-F468 HydrophobicContact CB-CZ 3.93Å; F295-F468 HydrophobicContact CD1-CE1 4.04Å; F295-F468 AromaticContact CD1-CZ 3.64Å; F295-F468 HydrophobicContact CD1-CZ 3.64Å; F295-F468 HydrophobicContact CD2-CZ 4.4Å; F295-F468 HydrophobicContact CE1-CZ 4.26Å; F295-F468 HydrophobicContact CG-CE1 4.27Å; F295-F468 AromaticContact CG-CZ 3.74Å; F295-F468 HydrophobicContact CG-CZ 3.74Å
296	I	92.6	Very high	93.4	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.179	C	C	.	.			trans	-84.5	118.5	168.7	-72.4	174.8	0	0	0	109.2	W251 L277 T280 Q325 I327 R466	W251-I296 HydrophobicContact CH2-CD1 3.75Å; W251-I296 HydrophobicContact CH2-CG1 4.21Å; W251-I296 HydrophobicContact CZ2-CD1 3.42Å; W251-I296 VanDerWaalsContact CZ2-CD1 3.42Å; W251-I296 HydrophobicContact CZ2-CG1 3.65Å; L277-I296 HydrophobicContact CB-CD1 3.87Å; L277-I296 HydrophobicContact CD2-CD1 4.39Å; T280-I296 HydrophobicContact CG2-CD1 4.16Å; I296-Q325 HydrophobicContact CD1-CG 3.61Å; I296-Q325 HydrophobicContact CG1-CG 4.04Å; I296-Q325 HydrophobicContact CG2-CG 4.28Å; I296-Q325 VanDerWaalsContact CG2-NE2 3.32Å; I296-I327 HydrophobicContact CG1-CG1 4.01Å; I296-R466 PolarHBondContact O-NE 2.74Å
297	P	92.3	Very high	93.3	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.084	19%	0.186	C	C	.	.			trans	-68.1	135.8	167.9	-17.5	33.3	0	0	0	110.5	F295 T302 I311	F295-P297 HydrophobicContact CE2-CB 4.34Å; F295-P297 HydrophobicContact CE2-CG 4.14Å; F295-P297 WeakPolarHBondContact O-CD 3.29Å; P297-T302 HydrophobicContact CB-CG2 3.94Å; P297-T302 HydrophobicContact CG-CG2 4.3Å; P297-I311 HydrophobicContact CG-CD1 4.24Å
298	T	88	Confident	93	Very high	75 Å²	75	40.8 Å²	40.8	46%	0.46	22%	0.221	S	C	.	.			trans	-110.3	-19.2	176.3	60.4	0	0	0	0	112	A278 E462	A278-T298 HydrophobicContact CB-CG2 3.83Å; T298-E462 VanDerWaalsContact N-CD 3.35Å; T298-E462 PolarHBondContact N-OE1 2.73Å; T298-E462 VanDerWaalsContact N-OE1 3.09Å; T298-E462 PolarHBondContact N-OE2 2.94Å; T298-E462 PolarHBondContact OG1-OE2 2.91Å
299	E	88.9	Confident	92.8	Very high	75 Å²	75	43.6 Å²	43.6	35%	0.35	25%	0.249	S	C	.	.	S	Bend	trans	-100	136.6	179.2	-59.1	176.2	-155.1	0	0	111.1	N301 T302 F303 E462	E299-N301 PolarHBondContact O-N 2.86Å; E299-T302 PolarHBondContact O-N 2.94Å; E299-F303 PolarHBondContact O-N 2.79Å; E299-E462 HydrophobicContact CB-CG 4.13Å; E299-E462 VanDerWaalsContact CB-OE1 3.31Å; E299-E462 WeakPolarHBondContact CB-OE1 3.49Å; E299-E462 HydrophobicContact CG-CG 3.79Å; E299-E462 PolarHBondContact N-OE1 3.05Å; E299-E462 WeakPolarHBondContact OE1-CG 3.28Å
300	L	87.5	Confident	92.8	Very high	119 Å²	119	44 Å²	44	62%	0.623	25%	0.25	S	S	*	.	H	α-helix	trans	-60.6	-34	178.9	-174.4	63.4	0	0	0	112.2	F303 N304	L300-F303 HydrophobicContact CD1-CD1 4.37Å; L300-F303 PolarHBondContact O-N 2.98Å; L300-N304 WeakPolarHBondContact O-CB 3.3Å; L300-N304 VanDerWaalsContact O-CG 3.28Å; L300-N304 PolarHBondContact O-N 3.42Å
301	N	89.3	Confident	92.6	Very high	100 Å²	100	45.5 Å²	45.5	54%	0.535	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-41	179.2	-73.9	-12	0	0	0	112.4	E299 F303 N304 N305	E299-N301 PolarHBondContact O-N 2.86Å; N301-F303 VanDerWaalsContact C-N 3.28Å; N301-F303 PolarHBondContact O-N 3.28Å; N301-N304 PolarHBondContact O-N 2.85Å; N301-N305 VanDerWaalsContact O-CB 3.28Å; N301-N305 WeakPolarHBondContact O-CB 3.39Å; N301-N305 PolarHBondContact O-N 3.09Å; N301-N305 PolarHBondContact O-ND2 3.47Å
302	T	91.2	Very high	92.2	Very high	3 Å²	3	47 Å²	47	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-41.6	174.6	-54.2	0	0	0	0	110.9	F295 P297 E299 A306 P460 I461 E462	F295-T302 HydrophobicContact CE2-CG2 4.12Å; F295-T302 HydrophobicContact CZ-CG2 3.95Å; P297-T302 HydrophobicContact CB-CG2 3.94Å; P297-T302 HydrophobicContact CG-CG2 4.3Å; E299-T302 PolarHBondContact O-N 2.94Å; T302-A306 WeakPolarHBondContact O-CB 3.32Å; T302-A306 PolarHBondContact O-N 3.11Å; T302-A306 VanDerWaalsContact O-N 3.13Å; T302-P460 HydrophobicContact CG2-CB 4.09Å; T302-I461 WeakPolarHBondContact OG1-CG2 3.41Å; T302-E462 WeakPolarHBondContact CB-OE1 3.44Å; T302-E462 HydrophobicContact CG2-CB 4.31Å; T302-E462 VanDerWaalsContact OG1-CG 3.26Å; T302-E462 WeakPolarHBondContact OG1-CG 3.17Å; T302-E462 PolarHBondContact OG1-OE1 3.47Å
303	F	87.3	Confident	91.5	Very high	52 Å²	52	53 Å²	53	23%	0.228	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-47.9	176.8	171.6	-101.2	0	0	0	112.3	E299 L300 N301 N305 A306 I311 K326	E299-F303 PolarHBondContact O-N 2.79Å; L300-F303 HydrophobicContact CD1-CD1 4.37Å; L300-F303 PolarHBondContact O-N 2.98Å; N301-F303 VanDerWaalsContact C-N 3.28Å; N301-F303 PolarHBondContact O-N 3.28Å; F303-N305 VanDerWaalsContact C-N 3.31Å; F303-N305 PolarHBondContact O-N 2.74Å; F303-A306 WeakPolarHBondContact O-CB 3.35Å; F303-A306 PolarHBondContact O-N 2.77Å; F303-I311 HydrophobicContact CD2-CB 4.45Å; F303-I311 HydrophobicContact CD2-CD1 4.23Å; F303-I311 HydrophobicContact CD2-CG1 3.87Å; F303-I311 HydrophobicContact CD2-CG2 4.01Å; F303-I311 HydrophobicContact CE2-CB 4.23Å; F303-I311 HydrophobicContact CE2-CG1 4.04Å; F303-I311 HydrophobicContact CE2-CG2 3.79Å; F303-K326 HydrophobicContact CD2-CD 3.56Å; F303-K326 HydrophobicContact CD2-CG 4.48Å; F303-K326 HydrophobicContact CE2-CD 3.51Å; F303-K326 VanDerWaalsContact CE2-CE 3.41Å; F303-K326 HydrophobicContact CE2-CG 4.35Å; F303-K326 VanDerWaalsContact CE2-NZ 3.28Å; F303-K326 HydrophobicContact CG-CD 4.2Å; F303-K326 HydrophobicContact CZ-CD 4.13Å
304	N	90.3	Very high	90.4	Very high	95 Å²	95	55 Å²	55	51%	0.508	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-31.8	-176.9	-73	-12.9	0	0	0	112.9	L300 N301	L300-N304 WeakPolarHBondContact O-CB 3.3Å; L300-N304 VanDerWaalsContact O-CG 3.28Å; L300-N304 PolarHBondContact O-N 3.42Å; N301-N304 PolarHBondContact O-N 2.85Å
305	N	92.9	Very high	89.1	Confident	113 Å²	113	57.4 Å²	57.4	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-92.6	-4.3	179.9	-64	-28	0	0	0	113.1	N301 F303 H458	N301-N305 VanDerWaalsContact O-CB 3.28Å; N301-N305 WeakPolarHBondContact O-CB 3.39Å; N301-N305 PolarHBondContact O-N 3.09Å; N301-N305 PolarHBondContact O-ND2 3.47Å; F303-N305 VanDerWaalsContact C-N 3.31Å; F303-N305 PolarHBondContact O-N 2.74Å; N305-H458 PolarHBondContact O-NE2 3.29Å
306	A	94.1	Very high	87.5	Confident	15 Å²	15	59.6 Å²	59.6	12%	0.124	33%	0.326	C	S	.	.	S	Bend	trans	-64.6	133.1	176.8	0	0	0	0	0	110.4	T302 F303 I311 Y328	T302-A306 WeakPolarHBondContact O-CB 3.32Å; T302-A306 PolarHBondContact O-N 3.11Å; T302-A306 VanDerWaalsContact O-N 3.13Å; F303-A306 WeakPolarHBondContact O-CB 3.35Å; F303-A306 PolarHBondContact O-N 2.77Å; A306-I311 HydrophobicContact CB-CD1 3.6Å; A306-I311 HydrophobicContact CB-CG1 3.56Å; A306-Y328 HydrophobicContact CB-CD2 4.04Å; A306-Y328 HydrophobicContact CB-CE2 4.14Å
307	P	94.7	Very high	85.7	Confident	20 Å²	20	62.2 Å²	62.2	13%	0.13	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-59.3	156	176.1	-25.2	34	0	0	0	113	G309 F310 Y450 H458	P307-G309 PolarHBondContact O-N 3.18Å; P307-F310 HydrophobicContact CB-CD1 4.12Å; P307-F310 HydrophobicContact CB-CD2 3.84Å; P307-F310 HydrophobicContact CB-CE1 4.24Å; P307-F310 HydrophobicContact CB-CE2 3.93Å; P307-F310 HydrophobicContact CB-CG 3.95Å; P307-F310 HydrophobicContact CB-CZ 4.14Å; P307-F310 HydrophobicContact CG-CD1 3.85Å; P307-F310 HydrophobicContact CG-CD2 4.45Å; P307-F310 HydrophobicContact CG-CE1 3.86Å; P307-F310 HydrophobicContact CG-CE2 4.42Å; P307-F310 HydrophobicContact CG-CG 4.18Å; P307-F310 HydrophobicContact CG-CZ 4.15Å; P307-F310 WeakPolarHBondContact O-CB 3.34Å; P307-F310 PolarHBondContact O-N 2.93Å; P307-Y450 HydrophobicContact CB-CE1 3.95Å; P307-Y450 HydrophobicContact CG-CD1 4.23Å; P307-Y450 HydrophobicContact CG-CE1 3.42Å; P307-Y450 VanDerWaalsContact CG-CE1 3.42Å; P307-H458 HydrophobicContact CG-CB 4.09Å
308	N	91.1	Very high	84	Confident	168 Å²	168	68.4 Å²	68.4	90%	0.898	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	129.2	177	-74.5	-22.7	0	0	0	111	F310	N308-F310 VanDerWaalsContact C-N 3.34Å
309	G	90.1	Very high	82.3	Confident	61 Å²	61	66.4 Å²	66.4	63%	0.629	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-2.8	-179.3	0	0	0	0	0	115.3	P307	P307-G309 PolarHBondContact O-N 3.18Å
310	F	94.2	Very high	80.8	Confident	9 Å²	9	70.7 Å²	70.7	4%	0.039	39%	0.385	C	S	.	.	S	Bend	trans	-87	-18.4	177.7	-75.7	-145.4	0	0	0	112.4	P307 N308 Y328 S329 H330 Y332 H458	P307-F310 HydrophobicContact CB-CD1 4.12Å; P307-F310 HydrophobicContact CB-CD2 3.84Å; P307-F310 HydrophobicContact CB-CE1 4.24Å; P307-F310 HydrophobicContact CB-CE2 3.93Å; P307-F310 HydrophobicContact CB-CG 3.95Å; P307-F310 HydrophobicContact CB-CZ 4.14Å; P307-F310 HydrophobicContact CG-CD1 3.85Å; P307-F310 HydrophobicContact CG-CD2 4.45Å; P307-F310 HydrophobicContact CG-CE1 3.86Å; P307-F310 HydrophobicContact CG-CE2 4.42Å; P307-F310 HydrophobicContact CG-CG 4.18Å; P307-F310 HydrophobicContact CG-CZ 4.15Å; P307-F310 WeakPolarHBondContact O-CB 3.34Å; P307-F310 PolarHBondContact O-N 2.93Å; N308-F310 VanDerWaalsContact C-N 3.34Å; F310-Y328 HydrophobicContact CB-CD2 4.36Å; F310-Y328 HydrophobicContact CB-CE2 4.11Å; F310-Y328 HydrophobicContact CD1-CE1 4.35Å; F310-Y328 AromaticContact CD1-CE2 3.86Å; F310-Y328 HydrophobicContact CD1-CE2 3.86Å; F310-Y328 AromaticContact CD1-CZ 3.59Å; F310-Y328 VanDerWaalsContact CD1-OH 3.32Å; F310-Y328 WeakPolarHBondContact CD1-OH 3.1Å; F310-Y328 CarbonylContact O-C 3.18Å; F310-Y328 WeakPolarHBondContact O-CA 3.33Å; F310-S329 PolarHBondContact O-N 3.42Å; F310-H330 HydrophobicContact CD1-CB 3.76Å; F310-H330 AromaticContact CD1-CG 3.9Å; F310-H330 HydrophobicContact CD2-CB 4.33Å; F310-H330 AromaticContact CD2-CE1 3.96Å; F310-H330 AromaticContact CD2-CG 3.89Å; F310-H330 AromaticContact CD2-ND1 3.43Å; F310-H330 WeakPolarHBondContact CD2-ND1 3.25Å; F310-H330 HydrophobicContact CE1-CB 3.78Å; F310-H330 AromaticContact CE1-CD2 3.68Å; F310-H330 AromaticContact CE1-CG 3.52Å; F310-H330 HydrophobicContact CE2-CB 4.37Å; F310-H330 AromaticContact CE2-CD2 3.86Å; F310-H330 AromaticContact CE2-CE1 3.18Å; F310-H330 WeakPolarHBondContact CE2-CE1 3.17Å; F310-H330 AromaticContact CE2-CG 3.53Å; F310-H330 AromaticContact CE2-ND1 3.1Å; F310-H330 WeakPolarHBondContact CE2-ND1 3.26Å; F310-H330 AromaticContact CE2-NE2 3.65Å; F310-H330 HydrophobicContact CG-CB 4.04Å; F310-H330 HydrophobicContact CZ-CB 4.1Å; F310-H330 AromaticContact CZ-CD2 3.31Å; F310-H330 WeakPolarHBondContact CZ-CD2 3.23Å; F310-H330 AromaticContact CZ-CE1 3.43Å; F310-H330 VanDerWaalsContact CZ-CE1 3.43Å; F310-H330 WeakPolarHBondContact CZ-CE1 3.46Å; F310-H330 AromaticContact CZ-CG 3.32Å; F310-H330 AromaticContact CZ-ND1 3.42Å; F310-H330 WeakPolarHBondContact CZ-ND1 3.35Å; F310-H330 AromaticContact CZ-NE2 3.37Å; F310-H330 WeakPolarHBondContact CZ-NE2 3.5Å; F310-Y332 HydrophobicContact CZ-CE1 4.46Å; F310-H458 HydrophobicContact CE1-CB 3.88Å
311	I	93.4	Very high	79.4	Confident	33 Å²	33	72.5 Å²	72.5	17%	0.169	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.3	173.9	-54.4	-61.6	0	0	0	110.2	P297 F303 A306 K326 I327 Y328	P297-I311 HydrophobicContact CG-CD1 4.24Å; F303-I311 HydrophobicContact CD2-CB 4.45Å; F303-I311 HydrophobicContact CD2-CD1 4.23Å; F303-I311 HydrophobicContact CD2-CG1 3.87Å; F303-I311 HydrophobicContact CD2-CG2 4.01Å; F303-I311 HydrophobicContact CE2-CB 4.23Å; F303-I311 HydrophobicContact CE2-CG1 4.04Å; F303-I311 HydrophobicContact CE2-CG2 3.79Å; A306-I311 HydrophobicContact CB-CD1 3.6Å; A306-I311 HydrophobicContact CB-CG1 3.56Å; I311-K326 HydrophobicContact CG2-CB 4Å; I311-K326 HydrophobicContact CG2-CG 4.13Å; I311-I327 WeakPolarHBondContact CA-O 3.31Å; I311-Y328 HydrophobicContact CD1-CD2 3.91Å; I311-Y328 HydrophobicContact CD1-CG 4.35Å
312	T	89	Confident	77.9	Confident	32 Å²	32	71.6 Å²	71.6	20%	0.196	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-179.1	168.8	-164.6	0	0	0	0	111.4	F244 K326 I327	F244-T312 HydrophobicContact CE2-CG2 3.7Å; F244-T312 HydrophobicContact CZ-CG2 3.4Å; F244-T312 WeakPolarHBondContact CZ-OG1 3.33Å; T312-K326 WeakPolarHBondContact O-CA 3.26Å; T312-I327 HydrophobicContact CG2-CB 3.75Å; T312-I327 HydrophobicContact CG2-CG2 4.39Å; T312-I327 PolarHBondContact N-O 2.72Å; T312-I327 PolarHBondContact O-N 3.27Å
313	Y	84	Confident	76.5	Confident	127 Å²	127	76.8 Å²	76.8	50%	0.498	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.5	177.1	-60.2	-87	0	0	0	109.9	K324 Q325 K326	Y313-K324 HydrophobicContact CD1-CB 4.07Å; Y313-K324 HydrophobicContact CG-CB 4.39Å; Y313-Q325 CarbonylContact C-O 3.35Å; Y313-Q325 VanDerWaalsContact CA-O 3.31Å; Y313-Q325 WeakPolarHBondContact CA-O 3.41Å; Y313-K326 HydrophobicContact CD1-CG 4.02Å; Y313-K326 HydrophobicContact CE1-CD 4.42Å; Y313-K326 HydrophobicContact CE1-CG 3.63Å
314	F	73.7	Confident	75.8	Confident	43 Å²	43	80.3 Å²	80.3	19%	0.189	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.3	170.8	-176.7	-105.5	0	0	0	109.7	F252 V316 Q325 I327	F252-F314 HydrophobicContact CD2-CE1 4.44Å; F252-F314 AromaticContact CD2-CE2 3.96Å; F252-F314 HydrophobicContact CD2-CE2 3.96Å; F252-F314 AromaticContact CD2-CZ 3.68Å; F252-F314 HydrophobicContact CD2-CZ 3.68Å; F252-F314 HydrophobicContact CE2-CE1 4.36Å; F252-F314 HydrophobicContact CE2-CE2 4.18Å; F252-F314 AromaticContact CE2-CZ 3.56Å; F252-F314 HydrophobicContact CE2-CZ 3.56Å; F314-V316 HydrophobicContact CD1-CB 4.38Å; F314-V316 HydrophobicContact CD1-CG2 3.52Å; F314-V316 HydrophobicContact CE1-CB 4.05Å; F314-V316 HydrophobicContact CE1-CG2 3.58Å; F314-Q325 PolarHBondContact N-O 2.9Å; F314-Q325 PolarHBondContact O-N 2.87Å; F314-I327 HydrophobicContact CB-CD1 3.32Å; F314-I327 HydrophobicContact CB-CG1 3.96Å; F314-I327 HydrophobicContact CG-CD1 3.96Å
315	D	71.3	Confident	75.4	Confident	50 Å²	50	77.4 Å²	77.4	27%	0.267	42%	0.419	S	S	.	.			trans	-96.4	107.3	172.6	-166.5	-20.5	0	0	0	108.9	Q317 N318	D315-Q317 VanDerWaalsContact C-N 3.34Å; D315-Q317 PolarHBondContact OD1-N 2.97Å; D315-Q317 VanDerWaalsContact OD1-N 3.08Å; D315-N318 WeakPolarHBondContact OD1-CA 3.43Å; D315-N318 PolarHBondContact OD1-N 3.01Å; D315-N318 WeakPolarHBondContact OD2-CA 3.28Å
316	V	61.6	Low	75.1	Confident	45 Å²	45	75.4 Å²	75.4	27%	0.273	40%	0.404	S	S	.	.	S	Bend	trans	-73.9	-27.5	-177.8	-176.3	0	0	0	0	111.6	L277 F314	L277-V316 HydrophobicContact CD1-CG2 4.03Å; L277-V316 HydrophobicContact CD2-CG2 4.35Å; F314-V316 HydrophobicContact CD1-CB 4.38Å; F314-V316 HydrophobicContact CD1-CG2 3.52Å; F314-V316 HydrophobicContact CE1-CB 4.05Å; F314-V316 HydrophobicContact CE1-CG2 3.58Å
317	Q	55.8	Low	75.1	Confident	58 Å²	58	74.7 Å²	74.7	27%	0.271	40%	0.399	S	S	.	.	S	Bend	trans	-129.2	5.1	-168.2	-63.6	-147.4	-59.5	0	0	114.8	F147 D315 S319	F147-Q317 VanDerWaalsContact CD1-NE2 3.33Å; D315-Q317 VanDerWaalsContact C-N 3.34Å; D315-Q317 PolarHBondContact OD1-N 2.97Å; D315-Q317 VanDerWaalsContact OD1-N 3.08Å; Q317-S319 PolarHBondContact O-N 3.33Å
318	N	55.5	Low	75.1	Confident	143 Å²	143	73.7 Å²	73.7	77%	0.765	39%	0.392	S	S	*	.			trans	48	35.9	-174.6	-139.5	12.9	0	0	0	111.1	D315	D315-N318 WeakPolarHBondContact OD1-CA 3.43Å; D315-N318 PolarHBondContact OD1-N 3.01Å; D315-N318 WeakPolarHBondContact OD2-CA 3.28Å
319	S	53.6	Low	75.3	Confident	33 Å²	33	65.7 Å²	65.7	23%	0.231	35%	0.35	C	S	.	.			trans	-111.1	113.8	-170.4	179.3	0	0	0	0	108.3	Q317 D321 K322	Q317-S319 PolarHBondContact O-N 3.33Å; S319-D321 PolarHBondContact O-N 3.13Å; S319-K322 PolarHBondContact O-N 3.44Å
320	N	57.3	Low	75.6	Confident	166 Å²	166	64.9 Å²	64.9	89%	0.888	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.5	178	-69.7	-26.6	0	0	0	113.2
321	D	57.5	Low	75.7	Confident	156 Å²	156	65.2 Å²	65.2	83%	0.834	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.4	-174.4	-67.3	-26.2	0	0	0	114.3	S319	S319-D321 PolarHBondContact O-N 3.13Å
322	K	57.3	Low	75.8	Confident	82 Å²	82	64 Å²	64	36%	0.357	33%	0.326	S	S	.	.	S	Bend	trans	-112.6	142.3	-179.3	-72.1	-173	-177.5	173.2	0	112.3	S319 K324	S319-K322 PolarHBondContact O-N 3.44Å; K322-K324 PolarHBondContact O-N 2.84Å
323	P	61.6	Low	76.1	Confident	111 Å²	111	64.5 Å²	64.5	72%	0.721	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-63.3	129.8	175.9	26.4	-32.5	0	0	0	109.8	Q325	P323-Q325 PolarHBondContact O-N 2.7Å
324	K	73.4	Confident	76.6	Confident	127 Å²	127	58.4 Å²	58.4	55%	0.552	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-60.1	137.1	171.9	-59.3	-177.1	177.6	-176	0	109.5	Y313 K322	Y313-K324 HydrophobicContact CD1-CB 4.07Å; Y313-K324 HydrophobicContact CG-CB 4.39Å; K322-K324 PolarHBondContact O-N 2.84Å
325	Q	80.5	Confident	77.7	Confident	34 Å²	34	56.4 Å²	56.4	16%	0.159	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.8	-178.3	-176.9	58.2	52.7	0	0	110.1	L277 I296 Y313 F314 P323	L277-Q325 HydrophobicContact CD1-CB 4.09Å; L277-Q325 HydrophobicContact CD1-CG 3.9Å; I296-Q325 HydrophobicContact CD1-CG 3.61Å; I296-Q325 HydrophobicContact CG1-CG 4.04Å; I296-Q325 HydrophobicContact CG2-CG 4.28Å; I296-Q325 VanDerWaalsContact CG2-NE2 3.32Å; Y313-Q325 CarbonylContact C-O 3.35Å; Y313-Q325 VanDerWaalsContact CA-O 3.31Å; Y313-Q325 WeakPolarHBondContact CA-O 3.41Å; F314-Q325 PolarHBondContact N-O 2.9Å; F314-Q325 PolarHBondContact O-N 2.87Å; P323-Q325 PolarHBondContact O-N 2.7Å
326	K	88.5	Confident	78.9	Confident	70 Å²	70	54 Å²	54	30%	0.304	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.1	172.8	-70.4	169.1	171.8	-176.8	0	109.9	F303 I311 T312 Y313	F303-K326 HydrophobicContact CD2-CD 3.56Å; F303-K326 HydrophobicContact CD2-CG 4.48Å; F303-K326 HydrophobicContact CE2-CD 3.51Å; F303-K326 VanDerWaalsContact CE2-CE 3.41Å; F303-K326 HydrophobicContact CE2-CG 4.35Å; F303-K326 VanDerWaalsContact CE2-NZ 3.28Å; F303-K326 HydrophobicContact CG-CD 4.2Å; F303-K326 HydrophobicContact CZ-CD 4.13Å; I311-K326 HydrophobicContact CG2-CB 4Å; I311-K326 HydrophobicContact CG2-CG 4.13Å; T312-K326 WeakPolarHBondContact O-CA 3.26Å; Y313-K326 HydrophobicContact CD1-CG 4.02Å; Y313-K326 HydrophobicContact CE1-CD 4.42Å; Y313-K326 HydrophobicContact CE1-CG 3.63Å
327	I	92.6	Very high	80.7	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.1	175.3	-57.2	-170.1	0	0	0	108.2	L248 W251 T294 I296 I311 T312 F314	L248-I327 HydrophobicContact CD1-CD1 3.71Å; L248-I327 HydrophobicContact CD1-CG2 4.2Å; W251-I327 HydrophobicContact CE3-CD1 3.92Å; W251-I327 HydrophobicContact CH2-CD1 3.75Å; W251-I327 HydrophobicContact CZ2-CD1 4.37Å; W251-I327 HydrophobicContact CZ3-CD1 3.49Å; W251-I327 VanDerWaalsContact CZ3-CD1 3.49Å; T294-I327 HydrophobicContact CG2-CG2 3.62Å; I296-I327 HydrophobicContact CG1-CG1 4.01Å; I311-I327 WeakPolarHBondContact CA-O 3.31Å; T312-I327 HydrophobicContact CG2-CB 3.75Å; T312-I327 HydrophobicContact CG2-CG2 4.39Å; T312-I327 PolarHBondContact N-O 2.72Å; T312-I327 PolarHBondContact O-N 3.27Å; F314-I327 HydrophobicContact CB-CD1 3.32Å; F314-I327 HydrophobicContact CB-CG1 3.96Å; F314-I327 HydrophobicContact CG-CD1 3.96Å
328	Y	95.1	Very high	82.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.2	166.3	-178.7	-75.2	0	0	0	107.8	I293 T294 F295 A306 F310 I311 H458 P460	I293-Y328 HydrophobicContact CG1-CE1 4.48Å; I293-Y328 HydrophobicContact CG2-CE1 3.85Å; T294-Y328 CarbonylContact C-O 3.55Å; T294-Y328 VanDerWaalsContact CA-O 3.23Å; T294-Y328 WeakPolarHBondContact CA-O 3.4Å; F295-Y328 AromaticContact CD1-CD1 3.91Å; F295-Y328 HydrophobicContact CD1-CD1 3.91Å; F295-Y328 HydrophobicContact CD1-CG 4.31Å; F295-Y328 AromaticContact CE1-CD1 3.35Å; F295-Y328 HydrophobicContact CE1-CD1 3.35Å; F295-Y328 HydrophobicContact CE1-CD2 4.4Å; F295-Y328 AromaticContact CE1-CE1 3.95Å; F295-Y328 HydrophobicContact CE1-CE1 3.95Å; F295-Y328 AromaticContact CE1-CG 3.61Å; F295-Y328 HydrophobicContact CE1-CG 3.61Å; F295-Y328 HydrophobicContact CZ-CD1 4.14Å; F295-Y328 HydrophobicContact CZ-CD2 4.41Å; F295-Y328 AromaticContact CZ-CG 3.93Å; F295-Y328 HydrophobicContact CZ-CG 3.93Å; F295-Y328 PolarHBondContact N-O 3.36Å; F295-Y328 PolarHBondContact O-N 3.09Å; A306-Y328 HydrophobicContact CB-CD2 4.04Å; A306-Y328 HydrophobicContact CB-CE2 4.14Å; F310-Y328 HydrophobicContact CB-CD2 4.36Å; F310-Y328 HydrophobicContact CB-CE2 4.11Å; F310-Y328 HydrophobicContact CD1-CE1 4.35Å; F310-Y328 AromaticContact CD1-CE2 3.86Å; F310-Y328 HydrophobicContact CD1-CE2 3.86Å; F310-Y328 AromaticContact CD1-CZ 3.59Å; F310-Y328 VanDerWaalsContact CD1-OH 3.32Å; F310-Y328 WeakPolarHBondContact CD1-OH 3.1Å; F310-Y328 CarbonylContact O-C 3.18Å; F310-Y328 WeakPolarHBondContact O-CA 3.33Å; I311-Y328 HydrophobicContact CD1-CD2 3.91Å; I311-Y328 HydrophobicContact CD1-CG 4.35Å; Y328-H458 AromaticContact CE2-ND1 3.81Å; Y328-H458 AromaticContact CZ-ND1 3.74Å; Y328-H458 PolarHBondContact OH-ND1 3.29Å; Y328-P460 HydrophobicContact CE1-CG 4.06Å; Y328-P460 HydrophobicContact CE2-CB 4.25Å; Y328-P460 HydrophobicContact CE2-CG 4.28Å
329	S	95.8	Very high	84.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	129.3	176.7	-172	0	0	0	0	110.1	F244 I293 T294 F310	F244-S329 PolarHBondContact O-OG 2.97Å; I293-S329 WeakPolarHBondContact O-CA 3.13Å; T294-S329 WeakPolarHBondContact OG1-CB 3.46Å; T294-S329 PolarHBondContact OG1-OG 2.67Å; F310-S329 PolarHBondContact O-N 3.42Å
330	H	96	Very high	86.6	Confident	44 Å²	44	42.2 Å²	42.2	20%	0.204	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.5	174.8	-167.2	66.3	0	0	0	111.9	Q292 I293 F310 Y332	Q292-H330 WeakPolarHBondContact CA-O 3.23Å; I293-H330 PolarHBondContact N-O 3.1Å; I293-H330 VanDerWaalsContact N-O 3.1Å; I293-H330 PolarHBondContact O-N 2.81Å; I293-H330 VanDerWaalsContact O-N 3.09Å; F310-H330 HydrophobicContact CD1-CB 3.76Å; F310-H330 AromaticContact CD1-CG 3.9Å; F310-H330 HydrophobicContact CD2-CB 4.33Å; F310-H330 AromaticContact CD2-CE1 3.96Å; F310-H330 AromaticContact CD2-CG 3.89Å; F310-H330 AromaticContact CD2-ND1 3.43Å; F310-H330 WeakPolarHBondContact CD2-ND1 3.25Å; F310-H330 HydrophobicContact CE1-CB 3.78Å; F310-H330 AromaticContact CE1-CD2 3.68Å; F310-H330 AromaticContact CE1-CG 3.52Å; F310-H330 HydrophobicContact CE2-CB 4.37Å; F310-H330 AromaticContact CE2-CD2 3.86Å; F310-H330 AromaticContact CE2-CE1 3.18Å; F310-H330 WeakPolarHBondContact CE2-CE1 3.17Å; F310-H330 AromaticContact CE2-CG 3.53Å; F310-H330 AromaticContact CE2-ND1 3.1Å; F310-H330 WeakPolarHBondContact CE2-ND1 3.26Å; F310-H330 AromaticContact CE2-NE2 3.65Å; F310-H330 HydrophobicContact CG-CB 4.04Å; F310-H330 HydrophobicContact CZ-CB 4.1Å; F310-H330 AromaticContact CZ-CD2 3.31Å; F310-H330 WeakPolarHBondContact CZ-CD2 3.23Å; F310-H330 AromaticContact CZ-CE1 3.43Å; F310-H330 VanDerWaalsContact CZ-CE1 3.43Å; F310-H330 WeakPolarHBondContact CZ-CE1 3.46Å; F310-H330 AromaticContact CZ-CG 3.32Å; F310-H330 AromaticContact CZ-ND1 3.42Å; F310-H330 WeakPolarHBondContact CZ-ND1 3.35Å; F310-H330 AromaticContact CZ-NE2 3.37Å; F310-H330 WeakPolarHBondContact CZ-NE2 3.5Å; H330-Y332 AromaticContact CD2-CD1 3.64Å; H330-Y332 AromaticContact CD2-CD2 3.96Å; H330-Y332 AromaticContact CD2-CE1 3.36Å; H330-Y332 WeakPolarHBondContact CD2-CE1 3.24Å; H330-Y332 AromaticContact CD2-CE2 3.7Å; H330-Y332 AromaticContact CD2-CG 3.95Å; H330-Y332 AromaticContact CD2-CZ 3.43Å; H330-Y332 VanDerWaalsContact CD2-CZ 3.43Å; H330-Y332 AromaticContact NE2-CD1 3.81Å; H330-Y332 AromaticContact NE2-CE1 3.74Å
331	S	96.2	Very high	88.6	Confident	16 Å²	16	36 Å²	36	11%	0.112	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.4	176.1	-178.8	0	0	0	0	110.5	G243 T291 Q292 L333	G243-S331 VanDerWaalsContact CA-CB 3.44Å; G243-S331 WeakPolarHBondContact CA-OG 3.09Å; G243-S331 WeakPolarHBondContact O-CB 3.33Å; T291-S331 CarbonylContact O-C 3.55Å; T291-S331 WeakPolarHBondContact O-CA 3.2Å; Q292-S331 PolarHBondContact NE2-OG 3.12Å; S331-L333 PolarHBondContact O-N 3.3Å
332	Y	96.1	Very high	90.4	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.027	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	95.7	176.6	-58.2	-83.3	0	0	0	109.5	S290 T291 I293 F310 H330 L335 I456 V457 H458 Y530	S290-Y332 VanDerWaalsContact CA-O 3.25Å; S290-Y332 WeakPolarHBondContact CA-O 3.18Å; S290-Y332 VanDerWaalsContact CB-O 3.3Å; S290-Y332 WeakPolarHBondContact CB-O 3.42Å; T291-Y332 HydrophobicContact CG2-CD2 4.15Å; T291-Y332 PolarHBondContact N-O 2.89Å; T291-Y332 PolarHBondContact O-N 3.35Å; I293-Y332 HydrophobicContact CG2-CE2 4.06Å; F310-Y332 HydrophobicContact CZ-CE1 4.46Å; H330-Y332 AromaticContact CD2-CD1 3.64Å; H330-Y332 AromaticContact CD2-CD2 3.96Å; H330-Y332 AromaticContact CD2-CE1 3.36Å; H330-Y332 WeakPolarHBondContact CD2-CE1 3.24Å; H330-Y332 AromaticContact CD2-CE2 3.7Å; H330-Y332 AromaticContact CD2-CG 3.95Å; H330-Y332 AromaticContact CD2-CZ 3.43Å; H330-Y332 VanDerWaalsContact CD2-CZ 3.43Å; H330-Y332 AromaticContact NE2-CD1 3.81Å; H330-Y332 AromaticContact NE2-CE1 3.74Å; Y332-L335 HydrophobicContact CG-CD1 4.36Å; Y332-L335 PolarHBondContact O-N 3.25Å; Y332-I456 WeakPolarHBondContact CE1-O 3.37Å; Y332-V457 HydrophobicContact CD1-CG2 4.34Å; Y332-V457 HydrophobicContact CE1-CB 4.33Å; Y332-V457 HydrophobicContact CE1-CG1 4.37Å; Y332-V457 HydrophobicContact CE1-CG2 4.42Å; Y332-V457 HydrophobicContact CE2-CG1 3.97Å; Y332-V457 HydrophobicContact CG-CG2 4.45Å; Y332-H458 PolarHBondContact OH-N 3.2Å; Y332-Y530 HydrophobicContact CD2-CE1 4.37Å; Y332-Y530 AromaticContact CE2-CE1 3.8Å; Y332-Y530 HydrophobicContact CE2-CE1 3.8Å
333	L	94.9	Very high	92.2	Very high	42 Å²	42	26 Å²	26	22%	0.22	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.6	173.3	-171	67.3	0	0	0	109.9	A205 R208 L209 S331 L335 G443	A205-L333 HydrophobicContact CB-CD1 3.8Å; R208-L333 HydrophobicContact CB-CD1 4.07Å; R208-L333 HydrophobicContact CB-CD2 4.28Å; L209-L333 HydrophobicContact CD2-CD1 3.97Å; L209-L333 HydrophobicContact CD2-CD2 4.2Å; L209-L333 HydrophobicContact CD2-CG 3.91Å; L209-L333 HydrophobicContact CG-CD1 4.06Å; S331-L333 PolarHBondContact O-N 3.3Å; L333-L335 VanDerWaalsContact C-N 3.32Å; L333-G443 WeakPolarHBondContact O-CA 3.3Å
334	G	94.5	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-9	-176.3	0	0	0	0	0	114.8	G289 S339 E442	G289-G334 PolarHBondContact O-N 3.18Å; G334-S339 WeakPolarHBondContact O-CB 3.25Å; G334-E442 WeakPolarHBondContact CA-O 3.47Å
335	L	96.6	Very high	94.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.			trans	-105.7	17.7	177.1	-64.4	-169.5	0	0	0	113.6	L286 T291 Y332 L333 V436 L437 P440 I456 V457 F521	L286-L335 WeakPolarHBondContact CD1-O 3.14Å; T291-L335 HydrophobicContact CG2-CB 3.87Å; Y332-L335 HydrophobicContact CG-CD1 4.36Å; Y332-L335 PolarHBondContact O-N 3.25Å; L333-L335 VanDerWaalsContact C-N 3.32Å; L335-V436 HydrophobicContact CD2-CG1 3.83Å; L335-L437 HydrophobicContact CD1-CD2 4.18Å; L335-L437 HydrophobicContact CD2-CD2 4.47Å; L335-P440 HydrophobicContact CD2-CB 3.96Å; L335-P440 HydrophobicContact CD2-CG 4.44Å; L335-I456 HydrophobicContact CD1-CD1 3.65Å; L335-I456 HydrophobicContact CD1-CG1 3.85Å; L335-I456 HydrophobicContact CD2-CD1 4.29Å; L335-I456 HydrophobicContact CG-CD1 3.92Å; L335-V457 HydrophobicContact CD1-CG2 3.32Å; L335-F521 HydrophobicContact CB-CZ 4.43Å; L335-F521 WeakPolarHBondContact O-CZ 3.47Å
336	G	97.3	Very high	95.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-71.4	161.4	165.7	0	0	0	0	0	111.6	G287 G288 S290 M338 S339 A340	G287-G336 CarbonylContact O-C 3.54Å; G287-G336 WeakPolarHBondContact O-CA 3.13Å; G288-G336 CarbonylContact O-C 3.56Å; G288-G336 WeakPolarHBondContact O-CA 3.43Å; S290-G336 WeakPolarHBondContact O-CA 3.43Å; G336-M338 VanDerWaalsContact C-N 3.32Å; G336-M338 PolarHBondContact O-N 3.26Å; G336-S339 PolarHBondContact O-N 2.92Å; G336-A340 VanDerWaalsContact O-CB 3.27Å; G336-A340 WeakPolarHBondContact O-CB 3.31Å; G336-A340 PolarHBondContact O-N 3.42Å
337	L	98.1	Very high	95.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-38.3	-171.1	-172.2	66.7	0	0	0	113.1	L286 G287 G288 R341 Y473 D518 F521	L286-L337 HydrophobicContact CD2-CB 4.23Å; L286-L337 HydrophobicContact CD2-CD1 4.43Å; L286-L337 HydrophobicContact CG-CB 4.28Å; G287-L337 PolarHBondContact O-N 2.96Å; G288-L337 PolarHBondContact O-N 2.93Å; L337-R341 WeakPolarHBondContact O-CG 3.4Å; L337-R341 PolarHBondContact O-N 2.91Å; L337-Y473 HydrophobicContact CB-CD2 3.9Å; L337-Y473 HydrophobicContact CB-CG 3.97Å; L337-Y473 HydrophobicContact CD2-CD1 3.57Å; L337-Y473 HydrophobicContact CD2-CD2 4.35Å; L337-Y473 HydrophobicContact CD2-CE1 4.25Å; L337-Y473 HydrophobicContact CD2-CG 3.65Å; L337-Y473 HydrophobicContact CG-CG 4.45Å; L337-D518 HydrophobicContact CD1-CB 3.99Å; L337-F521 HydrophobicContact CD1-CD1 4.05Å
338	M	96.4	Very high	95.7	Very high	27 Å²	27	13.1 Å²	13.1	13%	0.133	6%	0.063	C	C	.	.	H	α-helix	trans	-72.7	-42.7	179.2	-57.6	-59.9	112.3	0	0	111.5	T130 G288 G336 A340 R341 Y342 Y473	T130-M338 HydrophobicContact CG2-CG 3.86Å; G288-M338 WeakPolarHBondContact O-CA 3.47Å; G288-M338 WeakPolarHBondContact O-CB 3.49Å; G288-M338 PolarHBondContact O-N 3.25Å; G336-M338 VanDerWaalsContact C-N 3.32Å; G336-M338 PolarHBondContact O-N 3.26Å; M338-A340 VanDerWaalsContact C-N 3.28Å; M338-A340 PolarHBondContact O-N 3.33Å; M338-R341 WeakPolarHBondContact O-CB 3.3Å; M338-R341 PolarHBondContact O-N 2.96Å; M338-Y342 PolarHBondContact O-N 3.07Å; M338-Y473 HydrophobicContact CE-CE1 4.03Å; M338-Y473 HydrophobicContact CE-CE2 4.26Å
339	S	96.3	Very high	95.5	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.014	6%	0.064	C	C	.	.	H	α-helix	trans	-64	-34.5	174.1	-66.6	0	0	0	0	112.6	G288 G334 G336 Y342 S343 E442	G288-S339 PolarHBondContact O-N 3.17Å; G288-S339 VanDerWaalsContact O-N 3.11Å; G334-S339 WeakPolarHBondContact O-CB 3.25Å; G336-S339 PolarHBondContact O-N 2.92Å; S339-Y342 PolarHBondContact O-N 2.84Å; S339-S343 WeakPolarHBondContact O-CB 3.17Å; S339-S343 PolarHBondContact O-N 3.38Å; S339-S343 PolarHBondContact O-OG 2.8Å; S339-E442 VanDerWaalsContact CA-OE2 3.31Å; S339-E442 WeakPolarHBondContact CA-OE2 3.42Å; S339-E442 WeakPolarHBondContact CB-OE2 3.39Å; S339-E442 PolarHBondContact OG-OE2 3.11Å
340	A	97.7	Very high	95.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.5	-47.3	173.9	0	0	0	0	0	111.5	G336 M338 Y342 S343 M344 V436 F521	G336-A340 VanDerWaalsContact O-CB 3.27Å; G336-A340 WeakPolarHBondContact O-CB 3.31Å; G336-A340 PolarHBondContact O-N 3.42Å; M338-A340 VanDerWaalsContact C-N 3.28Å; M338-A340 PolarHBondContact O-N 3.33Å; A340-Y342 VanDerWaalsContact C-N 3.3Å; A340-Y342 PolarHBondContact O-N 2.99Å; A340-S343 PolarHBondContact O-N 3.2Å; A340-S343 VanDerWaalsContact O-N 3.15Å; A340-M344 WeakPolarHBondContact O-CB 3.33Å; A340-M344 VanDerWaalsContact O-CG 3.28Å; A340-M344 WeakPolarHBondContact O-CG 3.15Å; A340-M344 PolarHBondContact O-N 2.82Å; A340-V436 HydrophobicContact CB-CG1 4.39Å; A340-F521 HydrophobicContact CB-CD1 3.58Å; A340-F521 HydrophobicContact CB-CD2 3.64Å; A340-F521 HydrophobicContact CB-CE1 3.41Å; A340-F521 VanDerWaalsContact CB-CE1 3.41Å; A340-F521 HydrophobicContact CB-CE2 3.48Å; A340-F521 VanDerWaalsContact CB-CE2 3.48Å; A340-F521 HydrophobicContact CB-CG 3.68Å; A340-F521 HydrophobicContact CB-CZ 3.37Å
341	R	97.6	Very high	94.6	Very high	36 Å²	36	17.2 Å²	17.2	14%	0.136	8%	0.082	C	C	.	.	H	α-helix	trans	-52.8	-49.5	171.9	-76.4	172.9	175.5	-173	1	111.1	L337 M338 S343 M344 L345 W375 F514 D518	L337-R341 WeakPolarHBondContact O-CG 3.4Å; L337-R341 PolarHBondContact O-N 2.91Å; M338-R341 WeakPolarHBondContact O-CB 3.3Å; M338-R341 PolarHBondContact O-N 2.96Å; R341-S343 PolarHBondContact O-N 2.62Å; R341-M344 PolarHBondContact O-N 3.4Å; R341-L345 WeakPolarHBondContact O-CB 3.35Å; R341-L345 WeakPolarHBondContact O-CD1 3.33Å; R341-L345 WeakPolarHBondContact O-CG 3.47Å; R341-L345 PolarHBondContact O-N 2.96Å; R341-W375 HydrophobicContact CB-CH2 4.05Å; R341-W375 HydrophobicContact CB-CZ2 4.27Å; R341-F514 HydrophobicContact CB-CE1 4.44Å; R341-F514 HydrophobicContact CG-CD1 3.93Å; R341-F514 HydrophobicContact CG-CE1 4.25Å; R341-F514 VanDerWaalsContact CZ-CG 3.49Å; R341-D518 WeakPolarHBondContact CG-OD1 3.37Å; R341-D518 IonicContact CZ-OD1 2.71Å; R341-D518 IonicContact CZ-OD2 3.16Å; R341-D518 IonicContact NE-OD1 3.68Å; R341-D518 PolarHBondContact NE-OD1 3.43Å; R341-D518 IonicContact NE-OD2 3.22Å; R341-D518 PolarHBondContact NE-OD2 3.2Å; R341-D518 IonicContact NH2-OD1 3.53Å; R341-D518 IonicContact NH2-OD2 3.74Å; R341-D518 PolarHBondContact NH2-OD2 2.92Å
342	Y	96.3	Very high	94.1	Very high	28 Å²	28	17.5 Å²	17.5	11%	0.11	8%	0.081	C	C	.	.	H	α-helix	trans	-59.3	-46.8	177.6	178.3	-105.3	0	0	0	111.9	M338 S339 A340 M344 L345 H346 F362 W375 H377 W382 V441 E442	M338-Y342 PolarHBondContact O-N 3.07Å; S339-Y342 PolarHBondContact O-N 2.84Å; A340-Y342 VanDerWaalsContact C-N 3.3Å; A340-Y342 PolarHBondContact O-N 2.99Å; Y342-M344 PolarHBondContact O-N 3.26Å; Y342-L345 PolarHBondContact O-N 2.61Å; Y342-H346 WeakPolarHBondContact O-CB 3.43Å; Y342-H346 PolarHBondContact O-N 3.37Å; Y342-F362 AromaticContact CD2-CE2 3.97Å; Y342-F362 HydrophobicContact CD2-CE2 3.97Å; Y342-F362 HydrophobicContact CD2-CZ 4.02Å; Y342-F362 AromaticContact CE2-CE2 3.94Å; Y342-F362 HydrophobicContact CE2-CE2 3.94Å; Y342-F362 AromaticContact CE2-CZ 3.61Å; Y342-F362 HydrophobicContact CE2-CZ 3.61Å; Y342-W375 HydrophobicContact CD2-CZ3 4.34Å; Y342-H377 WeakPolarHBondContact CB-NE2 3.37Å; Y342-H377 AromaticContact CD1-NE2 3.94Å; Y342-H377 AromaticContact CD2-CD2 3.31Å; Y342-H377 WeakPolarHBondContact CD2-CD2 3.31Å; Y342-H377 AromaticContact CD2-NE2 3.94Å; Y342-H377 AromaticContact CE2-CD2 3.99Å; Y342-H377 AromaticContact CG-CD2 3.37Å; Y342-H377 AromaticContact CG-NE2 3.48Å; Y342-W382 AromaticContact CE2-CZ2 3.89Å; Y342-W382 HydrophobicContact CE2-CZ2 3.89Å; Y342-V441 HydrophobicContact CD1-CB 4.22Å; Y342-V441 HydrophobicContact CD1-CG1 4.26Å; Y342-V441 HydrophobicContact CE1-CB 4.02Å; Y342-V441 HydrophobicContact CE1-CG1 3.55Å; Y342-E442 HydrophobicContact CD1-CG 3.79Å; Y342-E442 HydrophobicContact CE1-CG 4.04Å
343	S	95.7	Very high	93.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-40.8	179.3	-59.9	0	0	0	0	112.4	S339 A340 R341 N347 V441	S339-S343 WeakPolarHBondContact O-CB 3.17Å; S339-S343 PolarHBondContact O-N 3.38Å; S339-S343 PolarHBondContact O-OG 2.8Å; A340-S343 PolarHBondContact O-N 3.2Å; A340-S343 VanDerWaalsContact O-N 3.15Å; R341-S343 PolarHBondContact O-N 2.62Å; S343-N347 VanDerWaalsContact O-CB 3.26Å; S343-N347 WeakPolarHBondContact O-CB 3.48Å; S343-N347 PolarHBondContact O-N 2.94Å; S343-N347 PolarHBondContact O-OD1 2.89Å; S343-V441 PolarHBondContact OG-N 3.27Å
344	M	95.5	Very high	92.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-47.5	175.4	-69.6	179.7	76.4	0	0	111.3	A340 R341 Y342 A348 H364 A433 V436 M517 F521	A340-M344 WeakPolarHBondContact O-CB 3.33Å; A340-M344 VanDerWaalsContact O-CG 3.28Å; A340-M344 WeakPolarHBondContact O-CG 3.15Å; A340-M344 PolarHBondContact O-N 2.82Å; R341-M344 PolarHBondContact O-N 3.4Å; Y342-M344 PolarHBondContact O-N 3.26Å; M344-A348 VanDerWaalsContact O-CB 3.25Å; M344-A348 WeakPolarHBondContact O-CB 3.27Å; M344-A348 PolarHBondContact O-N 2.67Å; M344-A348 VanDerWaalsContact O-N 3.16Å; M344-H364 PolarHBondContact O-CD2 3.31Å; M344-A433 HydrophobicContact CE-CB 3.96Å; M344-A433 HydrophobicContact SD-CB 4.41Å; M344-V436 HydrophobicContact CB-CG2 4.34Å; M344-V436 HydrophobicContact CG-CG2 3.51Å; M344-M517 HydrophobicContact CB-CE 3.62Å; M344-M517 HydrophobicContact CE-CB 4Å; M344-M517 HydrophobicContact CE-CE 4.43Å; M344-M517 HydrophobicContact CE-CG 4.14Å; M344-M517 HydrophobicContact SD-CB 4.15Å; M344-M517 HydrophobicContact SD-CE 4.22Å; M344-F521 HydrophobicContact SD-CB 4.07Å
345	L	95.9	Very high	90.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-47	178.2	-70.2	167.7	0	0	0	111.8	R341 Y342 T349 F362 H364 W375 I384 F514 M517	R341-L345 WeakPolarHBondContact O-CB 3.35Å; R341-L345 WeakPolarHBondContact O-CD1 3.33Å; R341-L345 WeakPolarHBondContact O-CG 3.47Å; R341-L345 PolarHBondContact O-N 2.96Å; Y342-L345 PolarHBondContact O-N 2.61Å; L345-T349 VanDerWaalsContact O-CB 3.27Å; L345-T349 WeakPolarHBondContact O-CB 3.34Å; L345-T349 PolarHBondContact O-N 2.91Å; L345-T349 PolarHBondContact O-OG1 3.05Å; L345-F362 HydrophobicContact CB-CB 4Å; L345-F362 HydrophobicContact CB-CD1 4.19Å; L345-F362 HydrophobicContact CB-CD2 3.76Å; L345-F362 HydrophobicContact CB-CE2 4.22Å; L345-F362 HydrophobicContact CB-CG 3.75Å; L345-F362 HydrophobicContact CD1-CD2 4.02Å; L345-F362 HydrophobicContact CD2-CB 4.08Å; L345-F362 HydrophobicContact CG-CB 4.47Å; L345-F362 HydrophobicContact CG-CD2 4.4Å; L345-H364 HydrophobicContact CD2-CB 3.92Å; L345-W375 HydrophobicContact CD1-CE3 3.88Å; L345-W375 HydrophobicContact CD1-CH2 4.39Å; L345-W375 HydrophobicContact CD1-CZ3 3.61Å; L345-I384 HydrophobicContact CD1-CD1 3.63Å; L345-I384 HydrophobicContact CD1-CG1 4.2Å; L345-I384 HydrophobicContact CD2-CD1 4.39Å; L345-I384 HydrophobicContact CD2-CG1 4.46Å; L345-I384 HydrophobicContact CD2-CG2 3.64Å; L345-F514 HydrophobicContact CD1-CE1 4.41Å; L345-M517 HydrophobicContact CD2-CE 3.84Å; L345-M517 HydrophobicContact CD2-SD 4.28Å; L345-M517 HydrophobicContact CG-CE 3.74Å
346	H	93.6	Very high	89.4	Confident	47 Å²	47	33.5 Å²	33.5	22%	0.218	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-57	-179.6	-174.3	94.7	0	0	0	110.7	Y342 A348 T349 E350 F362 V441	Y342-H346 WeakPolarHBondContact O-CB 3.43Å; Y342-H346 PolarHBondContact O-N 3.37Å; H346-A348 VanDerWaalsContact C-N 3.28Å; H346-A348 PolarHBondContact O-N 3.24Å; H346-T349 PolarHBondContact O-N 3.45Å; H346-T349 VanDerWaalsContact O-N 3.08Å; H346-E350 IonicContact CD2-OE2 3.4Å; H346-E350 IonicContact NE2-OE2 2.72Å; H346-E350 WeakPolarHBondContact O-CB 3.22Å; H346-E350 PolarHBondContact O-N 2.89Å; H346-F362 HydrophobicContact CB-CE1 4.18Å; H346-F362 HydrophobicContact CB-CZ 4.4Å; H346-V441 HydrophobicContact CB-CG2 3.94Å
347	N	91.3	Very high	88.2	Confident	23 Å²	23	40.2 Å²	40.2	12%	0.123	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-37.4	-175.8	-67.9	-1.4	0	0	0	112.1	S343 N435 N439 V441	S343-N347 VanDerWaalsContact O-CB 3.26Å; S343-N347 WeakPolarHBondContact O-CB 3.48Å; S343-N347 PolarHBondContact O-N 2.94Å; S343-N347 PolarHBondContact O-OD1 2.89Å; N347-N435 PolarHBondContact ND2-OD1 3.49Å; N347-N439 PolarHBondContact ND2-O 3.03Å; N347-V441 WeakPolarHBondContact OD1-CG2 3.35Å
348	A	92.2	Very high	86.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-44.1	176.1	0	0	0	0	0	111.8	M344 H346 H351 M387 L395 L432	M344-A348 VanDerWaalsContact O-CB 3.25Å; M344-A348 WeakPolarHBondContact O-CB 3.27Å; M344-A348 PolarHBondContact O-N 2.67Å; M344-A348 VanDerWaalsContact O-N 3.16Å; H346-A348 VanDerWaalsContact C-N 3.28Å; H346-A348 PolarHBondContact O-N 3.24Å; A348-H351 WeakPolarHBondContact O-CB 3.44Å; A348-M387 HydrophobicContact CB-CE 3.67Å; A348-M387 WeakPolarHBondContact O-CE 3.44Å; A348-L395 HydrophobicContact CB-CD2 4.09Å; A348-L432 HydrophobicContact CB-CD1 4.23Å; A348-L432 HydrophobicContact CB-CD2 4.18Å
349	T	92.4	Very high	85.9	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-72.4	-34.9	-179.1	-56.2	0	0	0	0	112.3	L345 H346 H351 F352 T356 F362 Y363	L345-T349 VanDerWaalsContact O-CB 3.27Å; L345-T349 WeakPolarHBondContact O-CB 3.34Å; L345-T349 PolarHBondContact O-N 2.91Å; L345-T349 PolarHBondContact O-OG1 3.05Å; H346-T349 PolarHBondContact O-N 3.45Å; H346-T349 VanDerWaalsContact O-N 3.08Å; T349-H351 PolarHBondContact O-N 2.78Å; T349-F352 CarbonylContact O-C 3.57Å; T349-F352 WeakPolarHBondContact O-CA 3.22Å; T349-F352 PolarHBondContact O-N 2.92Å; T349-T356 HydrophobicContact CG2-CG2 3.71Å; T349-F362 HydrophobicContact CG2-CD1 4.21Å; T349-F362 WeakPolarHBondContact OG1-CA 3.1Å; T349-Y363 HydrophobicContact CG2-CD2 4.3Å; T349-Y363 PolarHBondContact OG1-N 3.19Å; T349-Y363 PolarHBondContact OG1-O 3.07Å; T349-Y363 VanDerWaalsContact OG1-O 3.14Å
350	E	87.8	Confident	85.4	Confident	70 Å²	70	54.4 Å²	54.4	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-30	-179	-170.1	-178.2	-173.9	0	0	112	H346 F352 K353	H346-E350 IonicContact CD2-OE2 3.4Å; H346-E350 IonicContact NE2-OE2 2.72Å; H346-E350 WeakPolarHBondContact O-CB 3.22Å; H346-E350 PolarHBondContact O-N 2.89Å; E350-F352 PolarHBondContact O-N 3.33Å; E350-K353 VanDerWaalsContact CD-CE 3.41Å; E350-K353 HydrophobicContact CG-CD 4.08Å; E350-K353 HydrophobicContact CG-CG 3.96Å; E350-K353 VanDerWaalsContact O-CG 3.27Å; E350-K353 WeakPolarHBondContact O-CG 3.2Å; E350-K353 PolarHBondContact O-N 2.88Å; E350-K353 WeakPolarHBondContact OE1-CE 3.38Å; E350-K353 IonicContact OE1-NZ 2.96Å; E350-K353 PolarHBondContact OE1-NZ 2.75Å
351	H	84.1	Confident	85.1	Confident	54 Å²	54	57 Å²	57	25%	0.25	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.5	170.8	-172.9	68.5	0	0	0	113	A348 T349 S394 L395 F398	A348-H351 WeakPolarHBondContact O-CB 3.44Å; T349-H351 PolarHBondContact O-N 2.78Å; H351-S394 PolarHBondContact NE2-OG 2.94Å; H351-L395 HydrophobicContact CB-CD1 3.89Å; H351-F398 WeakPolarHBondContact CE1-CB 3.31Å; H351-F398 AromaticContact CE1-CD1 3.81Å; H351-F398 AromaticContact CE1-CD2 3.76Å; H351-F398 AromaticContact CE1-CG 3.38Å; H351-F398 WeakPolarHBondContact CE1-CG 3.17Å; H351-F398 AromaticContact ND1-CD1 3.51Å; H351-F398 AromaticContact ND1-CE1 3.84Å; H351-F398 AromaticContact ND1-CG 3.58Å
352	F	85.5	Confident	85	Confident	22 Å²	22	55.6 Å²	55.6	10%	0.096	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	28.5	178	-56.3	-76.3	0	0	0	113	T349 E350 L354 I355 T356 M387 M391	T349-F352 CarbonylContact O-C 3.57Å; T349-F352 WeakPolarHBondContact O-CA 3.22Å; T349-F352 PolarHBondContact O-N 2.92Å; E350-F352 PolarHBondContact O-N 3.33Å; F352-L354 PolarHBondContact O-N 2.8Å; F352-I355 HydrophobicContact CB-CB 4.5Å; F352-I355 HydrophobicContact CB-CD1 4.32Å; F352-I355 HydrophobicContact CD1-CD1 4.27Å; F352-I355 WeakPolarHBondContact O-CB 3.41Å; F352-I355 PolarHBondContact O-N 2.72Å; F352-T356 PolarHBondContact O-N 2.95Å; F352-T356 PolarHBondContact O-OG1 2.83Å; F352-M387 HydrophobicContact CD2-CE 4.12Å; F352-M387 HydrophobicContact CE2-CE 3.82Å; F352-M387 HydrophobicContact CE2-SD 3.97Å; F352-M391 HydrophobicContact CB-CE 4.49Å; F352-M391 HydrophobicContact CD1-CE 4.49Å; F352-M391 HydrophobicContact CD1-CG 4.42Å; F352-M391 HydrophobicContact CD2-CE 3.59Å; F352-M391 HydrophobicContact CE1-CB 4.12Å; F352-M391 HydrophobicContact CE1-CG 4Å; F352-M391 HydrophobicContact CE2-CB 3.85Å; F352-M391 HydrophobicContact CE2-CE 3.87Å; F352-M391 HydrophobicContact CE2-CG 4.22Å; F352-M391 HydrophobicContact CG-CE 3.93Å; F352-M391 VanDerWaalsContact CZ-CA 3.44Å; F352-M391 HydrophobicContact CZ-CB 3.54Å; F352-M391 HydrophobicContact CZ-CE 4.44Å; F352-M391 HydrophobicContact CZ-CG 3.89Å; F352-M391 VanDerWaalsContact CZ-O 3.3Å; F352-M391 WeakPolarHBondContact CZ-O 3.44Å
353	K	76.6	Confident	84.9	Confident	111 Å²	111	56.8 Å²	56.8	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-38.4	-44.9	-179.6	-96.4	-179.2	-159.9	-174.7	0	114.2	E350 I355 T356 Q357	E350-K353 VanDerWaalsContact CD-CE 3.41Å; E350-K353 HydrophobicContact CG-CD 4.08Å; E350-K353 HydrophobicContact CG-CG 3.96Å; E350-K353 VanDerWaalsContact O-CG 3.27Å; E350-K353 WeakPolarHBondContact O-CG 3.2Å; E350-K353 PolarHBondContact O-N 2.88Å; E350-K353 WeakPolarHBondContact OE1-CE 3.38Å; E350-K353 IonicContact OE1-NZ 2.96Å; E350-K353 PolarHBondContact OE1-NZ 2.75Å; K353-I355 PolarHBondContact O-N 3.22Å; K353-T356 PolarHBondContact O-N 3.38Å; K353-Q357 VanDerWaalsContact O-CG 3.3Å; K353-Q357 WeakPolarHBondContact O-CG 3.3Å; K353-Q357 PolarHBondContact O-N 2.8Å
354	L	72.9	Confident	84.8	Confident	154 Å²	154	56.8 Å²	56.8	81%	0.806	29%	0.29	S	S	*	.	H	α-helix	trans	-61	-25.6	-178.4	-65.7	174.1	0	0	0	113.7	F352	F352-L354 PolarHBondContact O-N 2.8Å
355	I	66.4	Low	84.6	Confident	104 Å²	104	56.7 Å²	56.7	53%	0.533	29%	0.289	S	S	.	.	H	α-helix	trans	-92	-29	-179.6	-55.5	177.3	0	0	0	111.2	F352 K353	F352-I355 HydrophobicContact CB-CB 4.5Å; F352-I355 HydrophobicContact CB-CD1 4.32Å; F352-I355 HydrophobicContact CD1-CD1 4.27Å; F352-I355 WeakPolarHBondContact O-CB 3.41Å; F352-I355 PolarHBondContact O-N 2.72Å; K353-I355 PolarHBondContact O-N 3.22Å
356	T	68.5	Low	84.5	Confident	16 Å²	16	56.7 Å²	56.7	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-107.6	-2.6	-169.4	57.2	0	0	0	0	114.6	T349 F352 K353 G358 K359 Y363	T349-T356 HydrophobicContact CG2-CG2 3.71Å; F352-T356 PolarHBondContact O-N 2.95Å; F352-T356 PolarHBondContact O-OG1 2.83Å; K353-T356 PolarHBondContact O-N 3.38Å; T356-G358 PolarHBondContact O-N 2.97Å; T356-G358 VanDerWaalsContact O-N 3.11Å; T356-K359 PolarHBondContact O-N 3.34Å; T356-Y363 HydrophobicContact CG2-CD2 4.22Å; T356-Y363 HydrophobicContact CG2-CE2 3.98Å
357	Q	70.6	Confident	84.5	Confident	142 Å²	142	54.5 Å²	54.5	66%	0.664	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	118.4	178.8	-95.7	170.8	13.6	0	0	112.4	K353 K359	K353-Q357 VanDerWaalsContact O-CG 3.3Å; K353-Q357 WeakPolarHBondContact O-CG 3.3Å; K353-Q357 PolarHBondContact O-N 2.8Å; Q357-K359 VanDerWaalsContact C-N 3.28Å; Q357-K359 PolarHBondContact O-N 3.02Å
358	G	69.5	Low	84.7	Confident	88 Å²	88	53.4 Å²	53.4	91%	0.907	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-9.6	178.7	0	0	0	0	0	115.9	T356	T356-G358 PolarHBondContact O-N 2.97Å; T356-G358 VanDerWaalsContact O-N 3.11Å
359	K	77.1	Confident	84.7	Confident	109 Å²	109	58.4 Å²	58.4	47%	0.474	30%	0.3	S	S	.	.			trans	-86	137.8	178.7	-62.1	-176	179.2	178.5	0	111	T356 Q357 E361	T356-K359 PolarHBondContact O-N 3.34Å; Q357-K359 VanDerWaalsContact C-N 3.28Å; Q357-K359 PolarHBondContact O-N 3.02Å; K359-E361 HydrophobicContact CB-CB 4.25Å; K359-E361 HydrophobicContact CB-CG 4.31Å; K359-E361 PolarHBondContact O-N 3.45Å; K359-E361 VanDerWaalsContact O-N 3.09Å
360	K	85.8	Confident	84.6	Confident	132 Å²	132	66.4 Å²	66.4	57%	0.574	34%	0.343	S	S	*	.			trans	-85.2	51.1	171.6	-65.3	-174.4	-179.5	179	0	110.8	D381 W382 Q383	K360-D381 WeakPolarHBondContact CD-O 3.23Å; K360-W382 HydrophobicContact CB-CE3 4.14Å; K360-W382 HydrophobicContact CB-CZ3 4.41Å; K360-Q383 PolarHBondContact O-N 3.14Å
361	E	92.2	Very high	85	Confident	53 Å²	53	64.3 Å²	64.3	25%	0.248	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.9	-174.2	-70.8	171.4	-164.8	0	0	109.6	K359 Y363 Q383	K359-E361 HydrophobicContact CB-CB 4.25Å; K359-E361 HydrophobicContact CB-CG 4.31Å; K359-E361 PolarHBondContact O-N 3.45Å; K359-E361 VanDerWaalsContact O-N 3.09Å; E361-Y363 HydrophobicContact CB-CE2 4.34Å; E361-Y363 PolarHBondContact OE2-OH 2.96Å; E361-Q383 CarbonylContact C-O 3.51Å; E361-Q383 WeakPolarHBondContact CA-O 3.46Å; E361-Q383 HydrophobicContact CG-CB 4.2Å
362	F	95	Very high	85.6	Confident	8 Å²	8	65.8 Å²	65.8	4%	0.035	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.8	171	-70.8	-46.1	0	0	0	110.5	Y342 L345 H346 T349 W382 Q383 I384 S385	Y342-F362 AromaticContact CD2-CE2 3.97Å; Y342-F362 HydrophobicContact CD2-CE2 3.97Å; Y342-F362 HydrophobicContact CD2-CZ 4.02Å; Y342-F362 AromaticContact CE2-CE2 3.94Å; Y342-F362 HydrophobicContact CE2-CE2 3.94Å; Y342-F362 AromaticContact CE2-CZ 3.61Å; Y342-F362 HydrophobicContact CE2-CZ 3.61Å; L345-F362 HydrophobicContact CB-CB 4Å; L345-F362 HydrophobicContact CB-CD1 4.19Å; L345-F362 HydrophobicContact CB-CD2 3.76Å; L345-F362 HydrophobicContact CB-CE2 4.22Å; L345-F362 HydrophobicContact CB-CG 3.75Å; L345-F362 HydrophobicContact CD1-CD2 4.02Å; L345-F362 HydrophobicContact CD2-CB 4.08Å; L345-F362 HydrophobicContact CG-CB 4.47Å; L345-F362 HydrophobicContact CG-CD2 4.4Å; H346-F362 HydrophobicContact CB-CE1 4.18Å; H346-F362 HydrophobicContact CB-CZ 4.4Å; T349-F362 HydrophobicContact CG2-CD1 4.21Å; T349-F362 WeakPolarHBondContact OG1-CA 3.1Å; F362-W382 HydrophobicContact CD1-CE3 4.43Å; F362-W382 HydrophobicContact CD2-CB 3.83Å; F362-W382 AromaticContact CD2-CD2 3.86Å; F362-W382 HydrophobicContact CD2-CD2 3.86Å; F362-W382 AromaticContact CD2-CE3 3.88Å; F362-W382 HydrophobicContact CD2-CE3 3.88Å; F362-W382 AromaticContact CD2-CG 3.83Å; F362-W382 HydrophobicContact CD2-CG 3.83Å; F362-W382 HydrophobicContact CE1-CE3 4.03Å; F362-W382 HydrophobicContact CE1-CH2 4.39Å; F362-W382 AromaticContact CE1-CZ3 3.94Å; F362-W382 HydrophobicContact CE1-CZ3 3.94Å; F362-W382 HydrophobicContact CE2-CB 3.99Å; F362-W382 AromaticContact CE2-CD1 3.96Å; F362-W382 AromaticContact CE2-CD2 3.22Å; F362-W382 HydrophobicContact CE2-CD2 3.22Å; F362-W382 AromaticContact CE2-CE2 3.66Å; F362-W382 AromaticContact CE2-CE3 3.44Å; F362-W382 HydrophobicContact CE2-CE3 3.44Å; F362-W382 VanDerWaalsContact CE2-CE3 3.44Å; F362-W382 AromaticContact CE2-CG 3.46Å; F362-W382 HydrophobicContact CE2-CG 3.46Å; F362-W382 VanDerWaalsContact CE2-CG 3.46Å; F362-W382 HydrophobicContact CE2-CH2 4.42Å; F362-W382 HydrophobicContact CE2-CZ2 4.25Å; F362-W382 HydrophobicContact CE2-CZ3 4.05Å; F362-W382 HydrophobicContact CG-CE3 4.36Å; F362-W382 AromaticContact CZ-CD2 3.64Å; F362-W382 HydrophobicContact CZ-CD2 3.64Å; F362-W382 AromaticContact CZ-CE2 3.83Å; F362-W382 AromaticContact CZ-CE3 3.52Å; F362-W382 HydrophobicContact CZ-CE3 3.52Å; F362-W382 HydrophobicContact CZ-CG 4.35Å; F362-W382 AromaticContact CZ-CH2 3.82Å; F362-W382 HydrophobicContact CZ-CH2 3.82Å; F362-W382 AromaticContact CZ-CZ2 3.93Å; F362-W382 HydrophobicContact CZ-CZ2 3.93Å; F362-W382 AromaticContact CZ-CZ3 3.61Å; F362-W382 HydrophobicContact CZ-CZ3 3.61Å; F362-Q383 PolarHBondContact N-O 2.87Å; F362-I384 HydrophobicContact CB-CG1 4.35Å; F362-I384 WeakPolarHBondContact O-CA 3.48Å; F362-S385 PolarHBondContact O-N 3.16Å
363	Y	93.5	Very high	86.1	Confident	52 Å²	52	67 Å²	67	20%	0.204	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.4	171.5	-57.3	-84.2	0	0	0	109.7	T349 T356 E361 S385 M387 M391	T349-Y363 HydrophobicContact CG2-CD2 4.3Å; T349-Y363 PolarHBondContact OG1-N 3.19Å; T349-Y363 PolarHBondContact OG1-O 3.07Å; T349-Y363 VanDerWaalsContact OG1-O 3.14Å; T356-Y363 HydrophobicContact CG2-CD2 4.22Å; T356-Y363 HydrophobicContact CG2-CE2 3.98Å; E361-Y363 HydrophobicContact CB-CE2 4.34Å; E361-Y363 PolarHBondContact OE2-OH 2.96Å; Y363-S385 VanDerWaalsContact CA-O 3.29Å; Y363-S385 WeakPolarHBondContact CA-O 3.27Å; Y363-M387 WeakPolarHBondContact O-CE 3.34Å; Y363-M391 HydrophobicContact CD2-CE 4.1Å; Y363-M391 HydrophobicContact CG-CE 4.02Å
364	H	94.5	Very high	87	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.4	176.6	-157.5	-96.8	0	0	0	111.7	M344 L345 C366 W367 S385 M387 M517	M344-H364 PolarHBondContact O-CD2 3.31Å; L345-H364 HydrophobicContact CD2-CB 3.92Å; H364-C366 PolarHBondContact CE1-SG 2.77Å; H364-C366 WeakPolarHBondContact ND1-CB 3.16Å; H364-C366 PolarHBondContact ND1-N 2.9Å; H364-C366 PolarHBondContact ND1-SG 2.97Å; H364-C366 VanDerWaalsContact ND1-SG 3.41Å; H364-C366 PolarHBondContact O-N 3.07Å; H364-W367 HydrophobicContact CB-CB 4.4Å; H364-W367 WeakPolarHBondContact O-CB 3.46Å; H364-W367 PolarHBondContact O-N 3.31Å; H364-S385 PolarHBondContact N-O 3.02Å; H364-S385 VanDerWaalsContact N-O 3.14Å; H364-M387 PolarHBondContact O-N 3.09Å; H364-M387 VanDerWaalsContact O-N 3.15Å; H364-M517 HydrophobicContact CB-SD 4.47Å
365	P	91.6	Very high	88	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.7	-178.9	28.2	-34.6	0	0	0	113	W367 R386 M387 L395 Y425 L428 L432	P365-W367 VanDerWaalsContact C-N 3.32Å; P365-R386 PolarHBondContact O-NH1 2.98Å; P365-R386 VanDerWaalsContact O-NH1 3.13Å; P365-M387 HydrophobicContact CG-SD 4.49Å; P365-L395 HydrophobicContact CG-CD2 4.37Å; P365-Y425 HydrophobicContact CB-CD1 4.49Å; P365-L428 HydrophobicContact CB-CD2 3.65Å; P365-L428 HydrophobicContact CB-CG 4.38Å; P365-L428 HydrophobicContact CG-CD2 3.64Å; P365-L428 HydrophobicContact CG-CG 3.89Å; P365-L432 HydrophobicContact CG-CD1 3.6Å
366	C	92.7	Very high	89	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.2	-178.8	-47.6	0	0	0	0	113.9	H364 C429 C516 M517	H364-C366 PolarHBondContact CE1-SG 2.77Å; H364-C366 WeakPolarHBondContact ND1-CB 3.16Å; H364-C366 PolarHBondContact ND1-N 2.9Å; H364-C366 PolarHBondContact ND1-SG 2.97Å; H364-C366 VanDerWaalsContact ND1-SG 3.41Å; H364-C366 PolarHBondContact O-N 3.07Å; C366-C429 HydrophobicContact CB-CB 4.12Å; C366-C429 WeakPolarHBondContact CB-SG 3.16Å; C366-C429 WeakPolarHBondContact SG-CA 3.42Å; C366-C429 WeakPolarHBondContact SG-CB 3.48Å; C366-C429 CovalentContact SG-SG 2Å; C366-C429 PolarHBondContact SG-SG 3.18Å; C366-C516 VanDerWaalsContact CB-SG 3.54Å; C366-M517 HydrophobicContact CB-CG 3.88Å
367	W	95.2	Very high	89.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	-79.8	144.7	-177.5	-162.5	-99.6	0	0	0	111.3	H364 P365 V371 I373 I384 R386 P513 F514 M517	H364-W367 HydrophobicContact CB-CB 4.4Å; H364-W367 WeakPolarHBondContact O-CB 3.46Å; H364-W367 PolarHBondContact O-N 3.31Å; P365-W367 VanDerWaalsContact C-N 3.32Å; W367-V371 PolarHBondContact NE1-O 3.16Å; W367-I373 HydrophobicContact CH2-CD1 3.46Å; W367-I373 VanDerWaalsContact CH2-CD1 3.46Å; W367-I373 HydrophobicContact CH2-CG1 3.91Å; W367-I373 HydrophobicContact CZ2-CB 4.4Å; W367-I373 HydrophobicContact CZ2-CD1 3.58Å; W367-I373 HydrophobicContact CZ2-CG1 3.58Å; W367-I373 HydrophobicContact CZ2-CG2 4.11Å; W367-I384 HydrophobicContact CD2-CG2 3.56Å; W367-I384 HydrophobicContact CE3-CG2 3.58Å; W367-I384 HydrophobicContact CG-CG2 4.25Å; W367-I384 HydrophobicContact CH2-CB 4.05Å; W367-I384 HydrophobicContact CH2-CD1 3.93Å; W367-I384 HydrophobicContact CH2-CG2 3.84Å; W367-I384 HydrophobicContact CZ2-CB 3.92Å; W367-I384 HydrophobicContact CZ2-CG2 3.84Å; W367-I384 HydrophobicContact CZ3-CB 4.41Å; W367-I384 HydrophobicContact CZ3-CD1 4.21Å; W367-I384 HydrophobicContact CZ3-CG2 3.72Å; W367-R386 HydrophobicContact CB-CB 4.1Å; W367-R386 HydrophobicContact CB-CG 4.4Å; W367-R386 WeakPolarHBondContact O-CD 3.29Å; W367-R386 WeakPolarHBondContact O-CG 3.4Å; W367-R386 PolarHBondContact O-NH1 2.93Å; W367-P513 HydrophobicContact CD2-CB 4.18Å; W367-P513 HydrophobicContact CE3-CB 4.26Å; W367-P513 HydrophobicContact CH2-CB 3.55Å; W367-P513 HydrophobicContact CH2-CG 3.59Å; W367-P513 HydrophobicContact CZ2-CB 3.42Å; W367-P513 VanDerWaalsContact CZ2-CB 3.42Å; W367-P513 HydrophobicContact CZ2-CG 3.62Å; W367-P513 HydrophobicContact CZ3-CB 3.98Å; W367-P513 HydrophobicContact CZ3-CG 4.37Å; W367-F514 HydrophobicContact CH2-CD1 4.3Å; W367-F514 HydrophobicContact CH2-CD2 4.13Å; W367-F514 AromaticContact CH2-CE1 3.97Å; W367-F514 HydrophobicContact CH2-CE1 3.97Å; W367-F514 AromaticContact CH2-CE2 3.79Å; W367-F514 HydrophobicContact CH2-CE2 3.79Å; W367-F514 HydrophobicContact CH2-CG 4.39Å; W367-F514 AromaticContact CH2-CZ 3.71Å; W367-F514 HydrophobicContact CH2-CZ 3.71Å; W367-F514 AromaticContact CZ3-CD1 3.76Å; W367-F514 HydrophobicContact CZ3-CD1 3.76Å; W367-F514 HydrophobicContact CZ3-CD2 4.32Å; W367-F514 AromaticContact CZ3-CE1 3.64Å; W367-F514 HydrophobicContact CZ3-CE1 3.64Å; W367-F514 HydrophobicContact CZ3-CE2 4.22Å; W367-F514 HydrophobicContact CZ3-CG 4.11Å; W367-F514 AromaticContact CZ3-CZ 3.89Å; W367-F514 HydrophobicContact CZ3-CZ 3.89Å; W367-M517 HydrophobicContact CE3-SD 4.12Å; W367-M517 HydrophobicContact CZ3-SD 4.37Å
368	P	94.7	Very high	90.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-58.7	149.6	177.9	-21.5	30.1	0	0	0	114.5	V371 P508 N509 P510 P513	P368-V371 HydrophobicContact CB-CB 4.24Å; P368-V371 HydrophobicContact CB-CG2 4Å; P368-P508 HydrophobicContact CB-CB 4.12Å; P368-P508 HydrophobicContact CG-CB 3.73Å; P368-N509 WeakPolarHBondContact CG-O 3.38Å; P368-P510 HydrophobicContact CB-CG 4.37Å; P368-P513 HydrophobicContact CG-CB 3.67Å
369	N	91.4	Very high	90.7	Very high	106 Å²	106	57.7 Å²	57.7	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	145.2	173.6	-72.5	-38.9	0	0	0	111.1	V371 R386	N369-V371 PolarHBondContact O-N 2.71Å; N369-R386 WeakPolarHBondContact OD1-CD 3.17Å; N369-R386 PolarHBondContact OD1-NE 3.41Å
370	N	91.7	Very high	91	Very high	173 Å²	173	58.1 Å²	58.1	93%	0.925	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	19.7	173.1	-56.6	-22.3	0	0	0	115.4
371	V	95.5	Very high	91.2	Very high	25 Å²	25	56.3 Å²	56.3	15%	0.152	31%	0.307	C	S	.	.			trans	-112.4	125	175.9	175.6	0	0	0	0	109.2	W367 P368 N369 I373 P510	W367-V371 PolarHBondContact NE1-O 3.16Å; P368-V371 HydrophobicContact CB-CB 4.24Å; P368-V371 HydrophobicContact CB-CG2 4Å; N369-V371 PolarHBondContact O-N 2.71Å; V371-I373 HydrophobicContact CG1-CG2 3.82Å; V371-P510 HydrophobicContact CG2-CB 3.56Å; V371-P510 HydrophobicContact CG2-CG 4.25Å
372	T	96.4	Very high	91.3	Very high	85 Å²	85	55.4 Å²	55.4	52%	0.521	30%	0.301	S	S	.	.			trans	-125.7	124.5	167.8	-61.6	0	0	0	0	109	Q383 I384 S385	T372-Q383 HydrophobicContact CG2-CB 4.45Å; T372-I384 VanDerWaalsContact CA-O 3.26Å; T372-I384 WeakPolarHBondContact CA-O 3.41Å; T372-S385 WeakPolarHBondContact CG2-OG 3.39Å; T372-S385 PolarHBondContact OG1-OG 2.88Å
373	I	96.3	Very high	91.3	Very high	47 Å²	47	58.8 Å²	58.8	24%	0.241	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	158	177.7	77.8	174	0	0	0	110.8	W367 V371 W375 Q383 I384 P513 F514	W367-I373 HydrophobicContact CH2-CD1 3.46Å; W367-I373 VanDerWaalsContact CH2-CD1 3.46Å; W367-I373 HydrophobicContact CH2-CG1 3.91Å; W367-I373 HydrophobicContact CZ2-CB 4.4Å; W367-I373 HydrophobicContact CZ2-CD1 3.58Å; W367-I373 HydrophobicContact CZ2-CG1 3.58Å; W367-I373 HydrophobicContact CZ2-CG2 4.11Å; V371-I373 HydrophobicContact CG1-CG2 3.82Å; I373-W375 HydrophobicContact CD1-CB 4.38Å; I373-W375 HydrophobicContact CG1-CB 4.5Å; I373-Q383 WeakPolarHBondContact O-CA 3.49Å; I373-I384 HydrophobicContact CD1-CD1 4.43Å; I373-I384 HydrophobicContact CG1-CB 4.33Å; I373-I384 HydrophobicContact CG1-CD1 4.37Å; I373-I384 PolarHBondContact N-O 3.47Å; I373-I384 PolarHBondContact O-N 2.85Å; I373-P513 HydrophobicContact CD1-CG 4.2Å; I373-P513 HydrophobicContact CG2-CG 4.49Å; I373-F514 HydrophobicContact CD1-CE2 3.63Å; I373-F514 HydrophobicContact CD1-CZ 4.05Å
374	K	95.4	Very high	91.5	Very high	169 Å²	169	56.3 Å²	56.3	74%	0.735	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.1	161.2	-66.7	-179.4	179.7	179.9	0	108.8	W382 Q383	K374-W382 CarbonylContact C-O 3.47Å; K374-W382 WeakPolarHBondContact CA-O 3.11Å; K374-Q383 HydrophobicContact CG-CG 4.27Å
375	W	94.1	Very high	91.5	Very high	27 Å²	27	57.6 Å²	57.6	10%	0.102	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125	179.2	179	58.3	0	0	0	110	R341 Y342 L345 I373 H377 W382 I384 F514	R341-W375 HydrophobicContact CB-CH2 4.05Å; R341-W375 HydrophobicContact CB-CZ2 4.27Å; Y342-W375 HydrophobicContact CD2-CZ3 4.34Å; L345-W375 HydrophobicContact CD1-CE3 3.88Å; L345-W375 HydrophobicContact CD1-CH2 4.39Å; L345-W375 HydrophobicContact CD1-CZ3 3.61Å; I373-W375 HydrophobicContact CD1-CB 4.38Å; I373-W375 HydrophobicContact CG1-CB 4.5Å; W375-H377 HydrophobicContact CD2-CB 4.25Å; W375-H377 HydrophobicContact CE3-CB 3.91Å; W375-H377 HydrophobicContact CH2-CB 3.48Å; W375-H377 VanDerWaalsContact CH2-CB 3.48Å; W375-H377 AromaticContact CH2-CG 3.49Å; W375-H377 VanDerWaalsContact CH2-CG 3.49Å; W375-H377 AromaticContact CH2-ND1 3.55Å; W375-H377 HydrophobicContact CZ2-CB 3.79Å; W375-H377 AromaticContact CZ2-CG 3.96Å; W375-H377 AromaticContact CZ2-ND1 3.72Å; W375-H377 HydrophobicContact CZ3-CB 3.53Å; W375-H377 AromaticContact CZ3-CG 3.93Å; W375-W382 PolarHBondContact N-O 3.44Å; W375-W382 PolarHBondContact O-N 2.95Å; W375-I384 HydrophobicContact CB-CD1 3.6Å; W375-I384 HydrophobicContact CB-CG1 4.32Å; W375-I384 HydrophobicContact CD2-CD1 4.05Å; W375-I384 HydrophobicContact CE3-CD1 3.84Å; W375-I384 HydrophobicContact CG-CD1 3.99Å; W375-F514 HydrophobicContact CB-CZ 4.47Å; W375-F514 AromaticContact CD1-CZ 3.95Å; W375-F514 HydrophobicContact CD2-CZ 4.07Å; W375-F514 AromaticContact CG-CZ 3.91Å; W375-F514 HydrophobicContact CG-CZ 3.91Å
376	N	87.8	Confident	91.6	Very high	75 Å²	75	60 Å²	60	40%	0.401	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.8	174.8	-171.7	-85	0	0	0	109.9	K380 D381	N376-K380 WeakPolarHBondContact CA-O 3.2Å; N376-D381 WeakPolarHBondContact CB-OD1 3.38Å; N376-D381 PolarHBondContact ND2-OD1 3.45Å
377	H	88.1	Confident	91.5	Very high	17 Å²	17	60.1 Å²	60.1	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.5	173.5	-177.1	71.7	0	0	0	110.1	Y342 W375 G379 K380 E442	Y342-H377 WeakPolarHBondContact CB-NE2 3.37Å; Y342-H377 AromaticContact CD1-NE2 3.94Å; Y342-H377 AromaticContact CD2-CD2 3.31Å; Y342-H377 WeakPolarHBondContact CD2-CD2 3.31Å; Y342-H377 AromaticContact CD2-NE2 3.94Å; Y342-H377 AromaticContact CE2-CD2 3.99Å; Y342-H377 AromaticContact CG-CD2 3.37Å; Y342-H377 AromaticContact CG-NE2 3.48Å; W375-H377 HydrophobicContact CD2-CB 4.25Å; W375-H377 HydrophobicContact CE3-CB 3.91Å; W375-H377 HydrophobicContact CH2-CB 3.48Å; W375-H377 VanDerWaalsContact CH2-CB 3.48Å; W375-H377 AromaticContact CH2-CG 3.49Å; W375-H377 VanDerWaalsContact CH2-CG 3.49Å; W375-H377 AromaticContact CH2-ND1 3.55Å; W375-H377 HydrophobicContact CZ2-CB 3.79Å; W375-H377 AromaticContact CZ2-CG 3.96Å; W375-H377 AromaticContact CZ2-ND1 3.72Å; W375-H377 HydrophobicContact CZ3-CB 3.53Å; W375-H377 AromaticContact CZ3-CG 3.93Å; H377-G379 PolarHBondContact O-N 3.34Å; H377-K380 PolarHBondContact N-O 3.24Å; H377-K380 PolarHBondContact O-N 2.98Å; H377-E442 IonicContact CD2-OE1 2.81Å; H377-E442 IonicContact CE1-OE1 3.92Å; H377-E442 IonicContact CE1-OE2 3.4Å; H377-E442 IonicContact NE2-OE1 3.68Å; H377-E442 PolarHBondContact NE2-OE1 2.78Å; H377-E442 IonicContact NE2-OE2 2.92Å; H377-E442 PolarHBondContact NE2-OE2 3.21Å; H377-E442 VanDerWaalsContact NE2-OE2 3.16Å
378	A	77.8	Confident	91.3	Very high	79 Å²	79	64.4 Å²	64.4	65%	0.653	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	39	-177	0	0	0	0	0	114	K380	A378-K380 VanDerWaalsContact C-N 3.27Å; A378-K380 PolarHBondContact O-N 3.11Å
379	G	78	Confident	90.9	Very high	54 Å²	54	70.3 Å²	70.3	56%	0.557	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	7.1	179.9	0	0	0	0	0	114.8	H377	H377-G379 PolarHBondContact O-N 3.34Å
380	K	83.7	Confident	90.8	Very high	118 Å²	118	69.5 Å²	69.5	51%	0.513	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132	175.7	-63.4	177.3	-176.1	173.5	0	110.3	N376 H377 A378 W382	N376-K380 WeakPolarHBondContact CA-O 3.2Å; H377-K380 PolarHBondContact N-O 3.24Å; H377-K380 PolarHBondContact O-N 2.98Å; A378-K380 VanDerWaalsContact C-N 3.27Å; A378-K380 PolarHBondContact O-N 3.11Å; K380-W382 HydrophobicContact CB-CZ2 4.41Å; K380-W382 HydrophobicContact CD-CZ2 4.17Å; K380-W382 VanDerWaalsContact O-CD1 3.27Å
381	D	89.7	Confident	90.7	Very high	94 Å²	94	62.2 Å²	62.2	50%	0.503	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.8	173.6	-61	-42.5	0	0	0	111.2	K360 N376	K360-D381 WeakPolarHBondContact CD-O 3.23Å; N376-D381 WeakPolarHBondContact CB-OD1 3.38Å; N376-D381 PolarHBondContact ND2-OD1 3.45Å
382	W	93.3	Very high	90.3	Very high	33 Å²	33	61.3 Å²	61.3	13%	0.125	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.4	178	-59.3	95.6	0	0	0	110.1	Y342 K360 F362 K374 W375 K380	Y342-W382 AromaticContact CE2-CZ2 3.89Å; Y342-W382 HydrophobicContact CE2-CZ2 3.89Å; K360-W382 HydrophobicContact CB-CE3 4.14Å; K360-W382 HydrophobicContact CB-CZ3 4.41Å; F362-W382 HydrophobicContact CD1-CE3 4.43Å; F362-W382 HydrophobicContact CD2-CB 3.83Å; F362-W382 AromaticContact CD2-CD2 3.86Å; F362-W382 HydrophobicContact CD2-CD2 3.86Å; F362-W382 AromaticContact CD2-CE3 3.88Å; F362-W382 HydrophobicContact CD2-CE3 3.88Å; F362-W382 AromaticContact CD2-CG 3.83Å; F362-W382 HydrophobicContact CD2-CG 3.83Å; F362-W382 HydrophobicContact CE1-CE3 4.03Å; F362-W382 HydrophobicContact CE1-CH2 4.39Å; F362-W382 AromaticContact CE1-CZ3 3.94Å; F362-W382 HydrophobicContact CE1-CZ3 3.94Å; F362-W382 HydrophobicContact CE2-CB 3.99Å; F362-W382 AromaticContact CE2-CD1 3.96Å; F362-W382 AromaticContact CE2-CD2 3.22Å; F362-W382 HydrophobicContact CE2-CD2 3.22Å; F362-W382 AromaticContact CE2-CE2 3.66Å; F362-W382 AromaticContact CE2-CE3 3.44Å; F362-W382 HydrophobicContact CE2-CE3 3.44Å; F362-W382 VanDerWaalsContact CE2-CE3 3.44Å; F362-W382 AromaticContact CE2-CG 3.46Å; F362-W382 HydrophobicContact CE2-CG 3.46Å; F362-W382 VanDerWaalsContact CE2-CG 3.46Å; F362-W382 HydrophobicContact CE2-CH2 4.42Å; F362-W382 HydrophobicContact CE2-CZ2 4.25Å; F362-W382 HydrophobicContact CE2-CZ3 4.05Å; F362-W382 HydrophobicContact CG-CE3 4.36Å; F362-W382 AromaticContact CZ-CD2 3.64Å; F362-W382 HydrophobicContact CZ-CD2 3.64Å; F362-W382 AromaticContact CZ-CE2 3.83Å; F362-W382 AromaticContact CZ-CE3 3.52Å; F362-W382 HydrophobicContact CZ-CE3 3.52Å; F362-W382 HydrophobicContact CZ-CG 4.35Å; F362-W382 AromaticContact CZ-CH2 3.82Å; F362-W382 HydrophobicContact CZ-CH2 3.82Å; F362-W382 AromaticContact CZ-CZ2 3.93Å; F362-W382 HydrophobicContact CZ-CZ2 3.93Å; F362-W382 AromaticContact CZ-CZ3 3.61Å; F362-W382 HydrophobicContact CZ-CZ3 3.61Å; K374-W382 CarbonylContact C-O 3.47Å; K374-W382 WeakPolarHBondContact CA-O 3.11Å; W375-W382 PolarHBondContact N-O 3.44Å; W375-W382 PolarHBondContact O-N 2.95Å; K380-W382 HydrophobicContact CB-CZ2 4.41Å; K380-W382 HydrophobicContact CD-CZ2 4.17Å; K380-W382 VanDerWaalsContact O-CD1 3.27Å
383	Q	95.7	Very high	89.8	Confident	80 Å²	80	64.2 Å²	64.2	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.2	163.8	-74.6	-174.2	-26.5	0	0	109.4	K360 E361 F362 T372 I373 K374	K360-Q383 PolarHBondContact O-N 3.14Å; E361-Q383 CarbonylContact C-O 3.51Å; E361-Q383 WeakPolarHBondContact CA-O 3.46Å; E361-Q383 HydrophobicContact CG-CB 4.2Å; F362-Q383 PolarHBondContact N-O 2.87Å; T372-Q383 HydrophobicContact CG2-CB 4.45Å; I373-Q383 WeakPolarHBondContact O-CA 3.49Å; K374-Q383 HydrophobicContact CG-CG 4.27Å
384	I	96.9	Very high	89.4	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.5	-179.9	-51.1	168.5	0	0	0	109.5	L345 F362 W367 T372 I373 W375 F514	L345-I384 HydrophobicContact CD1-CD1 3.63Å; L345-I384 HydrophobicContact CD1-CG1 4.2Å; L345-I384 HydrophobicContact CD2-CD1 4.39Å; L345-I384 HydrophobicContact CD2-CG1 4.46Å; L345-I384 HydrophobicContact CD2-CG2 3.64Å; F362-I384 HydrophobicContact CB-CG1 4.35Å; F362-I384 WeakPolarHBondContact O-CA 3.48Å; W367-I384 HydrophobicContact CD2-CG2 3.56Å; W367-I384 HydrophobicContact CE3-CG2 3.58Å; W367-I384 HydrophobicContact CG-CG2 4.25Å; W367-I384 HydrophobicContact CH2-CB 4.05Å; W367-I384 HydrophobicContact CH2-CD1 3.93Å; W367-I384 HydrophobicContact CH2-CG2 3.84Å; W367-I384 HydrophobicContact CZ2-CB 3.92Å; W367-I384 HydrophobicContact CZ2-CG2 3.84Å; W367-I384 HydrophobicContact CZ3-CB 4.41Å; W367-I384 HydrophobicContact CZ3-CD1 4.21Å; W367-I384 HydrophobicContact CZ3-CG2 3.72Å; T372-I384 VanDerWaalsContact CA-O 3.26Å; T372-I384 WeakPolarHBondContact CA-O 3.41Å; I373-I384 HydrophobicContact CD1-CD1 4.43Å; I373-I384 HydrophobicContact CG1-CB 4.33Å; I373-I384 HydrophobicContact CG1-CD1 4.37Å; I373-I384 PolarHBondContact N-O 3.47Å; I373-I384 PolarHBondContact O-N 2.85Å; W375-I384 HydrophobicContact CB-CD1 3.6Å; W375-I384 HydrophobicContact CB-CG1 4.32Å; W375-I384 HydrophobicContact CD2-CD1 4.05Å; W375-I384 HydrophobicContact CE3-CD1 3.84Å; W375-I384 HydrophobicContact CG-CD1 3.99Å; I384-F514 HydrophobicContact CD1-CE1 4Å; I384-F514 HydrophobicContact CD1-CZ 3.62Å
385	S	95.4	Very high	88.9	Confident	26 Å²	26	56.7 Å²	56.7	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	167.5	177.8	-56.1	0	0	0	0	111.5	F362 Y363 H364 T372	F362-S385 PolarHBondContact O-N 3.16Å; Y363-S385 VanDerWaalsContact CA-O 3.29Å; Y363-S385 WeakPolarHBondContact CA-O 3.27Å; H364-S385 PolarHBondContact N-O 3.02Å; H364-S385 VanDerWaalsContact N-O 3.14Å; T372-S385 WeakPolarHBondContact CG2-OG 3.39Å; T372-S385 PolarHBondContact OG1-OG 2.88Å
386	R	93.9	Very high	88.4	Confident	51 Å²	51	57 Å²	57	19%	0.192	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.3	174.6	-168.2	-177.6	174.9	92.6	-1.7	111.9	P365 W367 N369	P365-R386 PolarHBondContact O-NH1 2.98Å; P365-R386 VanDerWaalsContact O-NH1 3.13Å; W367-R386 HydrophobicContact CB-CB 4.1Å; W367-R386 HydrophobicContact CB-CG 4.4Å; W367-R386 WeakPolarHBondContact O-CD 3.29Å; W367-R386 WeakPolarHBondContact O-CG 3.4Å; W367-R386 PolarHBondContact O-NH1 2.93Å; N369-R386 WeakPolarHBondContact OD1-CD 3.17Å; N369-R386 PolarHBondContact OD1-NE 3.41Å
387	M	91.4	Very high	88.2	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.02	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.6	138.9	166.8	-76.4	-170.1	-177.7	0	0	111.5	A348 F352 Y363 H364 P365 M391 L395	A348-M387 HydrophobicContact CB-CE 3.67Å; A348-M387 WeakPolarHBondContact O-CE 3.44Å; F352-M387 HydrophobicContact CD2-CE 4.12Å; F352-M387 HydrophobicContact CE2-CE 3.82Å; F352-M387 HydrophobicContact CE2-SD 3.97Å; Y363-M387 WeakPolarHBondContact O-CE 3.34Å; H364-M387 PolarHBondContact O-N 3.09Å; H364-M387 VanDerWaalsContact O-N 3.15Å; P365-M387 HydrophobicContact CG-SD 4.49Å; M387-M391 HydrophobicContact CB-CB 4.05Å; M387-M391 HydrophobicContact CG-CB 4.24Å; M387-M391 HydrophobicContact CG-CE 4.05Å; M387-M391 HydrophobicContact SD-CB 4.18Å; M387-L395 HydrophobicContact CE-CD2 3.93Å; M387-L395 HydrophobicContact SD-CD2 3.89Å
388	N	89.8	Confident	87.9	Confident	90 Å²	90	59.8 Å²	59.8	48%	0.481	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-68.6	167.3	169.2	70.4	47.1	0	0	0	111.3	S390 M391 S392	N388-S390 VanDerWaalsContact C-N 3.31Å; N388-S390 PolarHBondContact O-N 3.04Å; N388-S390 WeakPolarHBondContact OD1-CB 3.37Å; N388-S390 PolarHBondContact OD1-N 2.92Å; N388-S390 VanDerWaalsContact OD1-N 3.09Å; N388-M391 PolarHBondContact ND2-SD 2.7Å; N388-M391 PolarHBondContact O-N 2.79Å; N388-M391 WeakPolarHBondContact OD1-CG 3.43Å; N388-M391 PolarHBondContact OD1-N 2.93Å; N388-S392 PolarHBondContact O-N 3.19Å; N388-S392 PolarHBondContact O-OG 3.26Å
389	H	86.3	Confident	88	Confident	124 Å²	124	56.8 Å²	56.8	57%	0.574	31%	0.306	S	S	*	.	H	α-helix	trans	-60.3	-37.6	-176.8	-179.4	-99.5	0	0	0	113.1	S392 K393	H389-S392 PolarHBondContact O-N 3.35Å; H389-K393 WeakPolarHBondContact O-CB 3.12Å; H389-K393 PolarHBondContact O-N 2.64Å
390	S	88.7	Confident	87.9	Confident	89 Å²	89	58.6 Å²	58.6	62%	0.622	30%	0.298	S	S	*	.	H	α-helix	trans	-64.9	-46.1	178.3	-175.9	0	0	0	0	111.7	N388 K393 S394	N388-S390 VanDerWaalsContact C-N 3.31Å; N388-S390 PolarHBondContact O-N 3.04Å; N388-S390 WeakPolarHBondContact OD1-CB 3.37Å; N388-S390 PolarHBondContact OD1-N 2.92Å; N388-S390 VanDerWaalsContact OD1-N 3.09Å; S390-K393 PolarHBondContact O-N 2.79Å; S390-S394 WeakPolarHBondContact O-CB 3.5Å; S390-S394 PolarHBondContact O-N 2.98Å
391	M	89.5	Confident	87.6	Confident	20 Å²	20	58.1 Å²	58.1	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-49.9	174.5	-68.9	171.5	77.2	0	0	110.8	F352 Y363 M387 N388 K393 S394 L395	F352-M391 HydrophobicContact CB-CE 4.49Å; F352-M391 HydrophobicContact CD1-CE 4.49Å; F352-M391 HydrophobicContact CD1-CG 4.42Å; F352-M391 HydrophobicContact CD2-CE 3.59Å; F352-M391 HydrophobicContact CE1-CB 4.12Å; F352-M391 HydrophobicContact CE1-CG 4Å; F352-M391 HydrophobicContact CE2-CB 3.85Å; F352-M391 HydrophobicContact CE2-CE 3.87Å; F352-M391 HydrophobicContact CE2-CG 4.22Å; F352-M391 HydrophobicContact CG-CE 3.93Å; F352-M391 VanDerWaalsContact CZ-CA 3.44Å; F352-M391 HydrophobicContact CZ-CB 3.54Å; F352-M391 HydrophobicContact CZ-CE 4.44Å; F352-M391 HydrophobicContact CZ-CG 3.89Å; F352-M391 VanDerWaalsContact CZ-O 3.3Å; F352-M391 WeakPolarHBondContact CZ-O 3.44Å; Y363-M391 HydrophobicContact CD2-CE 4.1Å; Y363-M391 HydrophobicContact CG-CE 4.02Å; M387-M391 HydrophobicContact CB-CB 4.05Å; M387-M391 HydrophobicContact CG-CB 4.24Å; M387-M391 HydrophobicContact CG-CE 4.05Å; M387-M391 HydrophobicContact SD-CB 4.18Å; N388-M391 PolarHBondContact ND2-SD 2.7Å; N388-M391 PolarHBondContact O-N 2.79Å; N388-M391 WeakPolarHBondContact OD1-CG 3.43Å; N388-M391 PolarHBondContact OD1-N 2.93Å; M391-K393 VanDerWaalsContact C-N 3.31Å; M391-K393 PolarHBondContact O-N 2.72Å; M391-S394 PolarHBondContact O-N 2.64Å; M391-L395 WeakPolarHBondContact O-CB 3.45Å; M391-L395 PolarHBondContact O-N 3.02Å
392	S	88.4	Confident	86.7	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-42.2	-179.9	-57.1	0	0	0	0	112.1	N388 H389 L395 L396	N388-S392 PolarHBondContact O-N 3.19Å; N388-S392 PolarHBondContact O-OG 3.26Å; H389-S392 PolarHBondContact O-N 3.35Å; S392-L395 PolarHBondContact O-N 3.15Å; S392-L396 WeakPolarHBondContact O-CB 3.45Å; S392-L396 PolarHBondContact O-N 2.8Å
393	K	85.4	Confident	84.8	Confident	145 Å²	145	60.8 Å²	60.8	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-66.1	-42.3	177.1	-172.3	177.3	-179.9	-180	0	112.4	H389 S390 M391 L396 S397	H389-K393 WeakPolarHBondContact O-CB 3.12Å; H389-K393 PolarHBondContact O-N 2.64Å; S390-K393 PolarHBondContact O-N 2.79Å; M391-K393 VanDerWaalsContact C-N 3.31Å; M391-K393 PolarHBondContact O-N 2.72Å; K393-L396 PolarHBondContact O-N 2.86Å; K393-S397 WeakPolarHBondContact O-CB 3.43Å; K393-S397 PolarHBondContact O-N 3.27Å
394	S	87.3	Confident	82.8	Confident	54 Å²	54	58.7 Å²	58.7	38%	0.378	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-47	175.9	178.2	0	0	0	0	111.5	H351 S390 M391 S397 F398	H351-S394 PolarHBondContact NE2-OG 2.94Å; S390-S394 WeakPolarHBondContact O-CB 3.5Å; S390-S394 PolarHBondContact O-N 2.98Å; M391-S394 PolarHBondContact O-N 2.64Å; S394-S397 WeakPolarHBondContact O-CB 2.85Å; S394-S397 PolarHBondContact O-N 2.83Å; S394-F398 PolarHBondContact O-N 3.32Å
395	L	86.7	Confident	80.5	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-43.7	178.5	-178.9	61.2	0	0	0	111.8	A348 H351 P365 M387 M391 S392 S397 F398 I399 L428 L432	A348-L395 HydrophobicContact CB-CD2 4.09Å; H351-L395 HydrophobicContact CB-CD1 3.89Å; P365-L395 HydrophobicContact CG-CD2 4.37Å; M387-L395 HydrophobicContact CE-CD2 3.93Å; M387-L395 HydrophobicContact SD-CD2 3.89Å; M391-L395 WeakPolarHBondContact O-CB 3.45Å; M391-L395 PolarHBondContact O-N 3.02Å; S392-L395 PolarHBondContact O-N 3.15Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 2.79Å; L395-F398 PolarHBondContact O-N 3.27Å; L395-I399 HydrophobicContact CD1-CD1 4.03Å; L395-I399 HydrophobicContact CD1-CG1 4.35Å; L395-I399 HydrophobicContact CG-CD1 3.91Å; L395-I399 WeakPolarHBondContact O-CG1 3.05Å; L395-I399 PolarHBondContact O-N 3.38Å; L395-L428 HydrophobicContact CG-CD1 4.38Å; L395-L432 HydrophobicContact CD2-CD1 4.06Å; L395-L432 HydrophobicContact CD2-CD2 4.19Å
396	L	82.8	Confident	78.2	Confident	33 Å²	33	66.2 Å²	66.2	17%	0.173	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-42.4	175.7	-179.4	61.5	0	0	0	111.6	S392 K393 F398 I399 K400 Y405 L428	S392-L396 WeakPolarHBondContact O-CB 3.45Å; S392-L396 PolarHBondContact O-N 2.8Å; K393-L396 PolarHBondContact O-N 2.86Å; L396-F398 VanDerWaalsContact C-N 3.33Å; L396-F398 PolarHBondContact O-N 2.71Å; L396-I399 PolarHBondContact O-N 3.36Å; L396-K400 HydrophobicContact CD1-CD 4.45Å; L396-K400 HydrophobicContact CD1-CG 4.42Å; L396-K400 HydrophobicContact CG-CD 4.29Å; L396-K400 WeakPolarHBondContact O-CB 3.45Å; L396-K400 VanDerWaalsContact O-CG 3.31Å; L396-K400 WeakPolarHBondContact O-CG 3.12Å; L396-K400 PolarHBondContact O-N 2.93Å; L396-Y405 HydrophobicContact CD1-CE2 4.35Å; L396-L428 HydrophobicContact CB-CD1 4.26Å; L396-L428 HydrophobicContact CB-CD2 4.38Å; L396-L428 HydrophobicContact CD1-CB 4.35Å; L396-L428 HydrophobicContact CD1-CD1 4.1Å
397	S	83	Confident	75.9	Confident	73 Å²	73	69.9 Å²	69.9	51%	0.51	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-44.1	175.6	-170.3	0	0	0	0	111.5	K393 S394 L395 K400 T401	K393-S397 WeakPolarHBondContact O-CB 3.43Å; K393-S397 PolarHBondContact O-N 3.27Å; S394-S397 WeakPolarHBondContact O-CB 2.85Å; S394-S397 PolarHBondContact O-N 2.83Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 2.79Å; S397-K400 PolarHBondContact O-N 3.29Å; S397-T401 WeakPolarHBondContact O-CG2 3.47Å; S397-T401 PolarHBondContact O-N 3.03Å
398	F	83.2	Confident	73.9	Confident	79 Å²	79	70.4 Å²	70.4	35%	0.346	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-39.4	177.5	174.2	-104.4	0	0	0	113.2	H351 S394 L395 L396 K400 T401 K402	H351-F398 WeakPolarHBondContact CE1-CB 3.31Å; H351-F398 AromaticContact CE1-CD1 3.81Å; H351-F398 AromaticContact CE1-CD2 3.76Å; H351-F398 AromaticContact CE1-CG 3.38Å; H351-F398 WeakPolarHBondContact CE1-CG 3.17Å; H351-F398 AromaticContact ND1-CD1 3.51Å; H351-F398 AromaticContact ND1-CE1 3.84Å; H351-F398 AromaticContact ND1-CG 3.58Å; S394-F398 PolarHBondContact O-N 3.32Å; L395-F398 PolarHBondContact O-N 3.27Å; L396-F398 VanDerWaalsContact C-N 3.33Å; L396-F398 PolarHBondContact O-N 2.71Å; F398-K400 VanDerWaalsContact C-N 3.35Å; F398-T401 PolarHBondContact O-N 2.87Å; F398-T401 PolarHBondContact O-OG1 3.34Å; F398-K402 HydrophobicContact CE1-CD 4.12Å; F398-K402 HydrophobicContact CZ-CD 4.18Å; F398-K402 VanDerWaalsContact CZ-NZ 3.3Å; F398-K402 PolarHBondContact O-N 3.48Å
399	I	80	Confident	71.7	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.077	36%	0.364	C	S	.	.	H	α-helix	trans	-68.4	-37.9	177.5	-71.5	167.9	0	0	0	110.9	L395 L396 T401 K402 Y405 L428 A431 L432	L395-I399 HydrophobicContact CD1-CD1 4.03Å; L395-I399 HydrophobicContact CD1-CG1 4.35Å; L395-I399 HydrophobicContact CG-CD1 3.91Å; L395-I399 WeakPolarHBondContact O-CG1 3.05Å; L395-I399 PolarHBondContact O-N 3.38Å; L396-I399 PolarHBondContact O-N 3.36Å; I399-T401 VanDerWaalsContact C-N 3.29Å; I399-T401 PolarHBondContact O-N 2.82Å; I399-K402 PolarHBondContact O-N 3.36Å; I399-Y405 HydrophobicContact CG2-CD2 4.31Å; I399-L428 HydrophobicContact CD1-CD1 3.49Å; I399-L428 VanDerWaalsContact CD1-CD1 3.49Å; I399-A431 HydrophobicContact CG2-CB 3.8Å; I399-L432 HydrophobicContact CD1-CD2 3.71Å; I399-L432 HydrophobicContact CD1-CG 4Å
400	K	75.8	Confident	69.4	Low	93 Å²	93	66.3 Å²	66.3	40%	0.404	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-31.8	176	-76.7	177.1	176	-175.8	0	113	L396 S397 F398 Y405	L396-K400 HydrophobicContact CD1-CD 4.45Å; L396-K400 HydrophobicContact CD1-CG 4.42Å; L396-K400 HydrophobicContact CG-CD 4.29Å; L396-K400 WeakPolarHBondContact O-CB 3.45Å; L396-K400 VanDerWaalsContact O-CG 3.31Å; L396-K400 WeakPolarHBondContact O-CG 3.12Å; L396-K400 PolarHBondContact O-N 2.93Å; S397-K400 PolarHBondContact O-N 3.29Å; F398-K400 VanDerWaalsContact C-N 3.35Å; K400-Y405 HydrophobicContact CG-CD1 4.1Å; K400-Y405 HydrophobicContact CG-CD2 4.07Å; K400-Y405 HydrophobicContact CG-CE1 4.18Å; K400-Y405 HydrophobicContact CG-CE2 4.12Å; K400-Y405 HydrophobicContact CG-CG 4.03Å
401	T	77.3	Confident	67.4	Low	108 Å²	108	63.6 Å²	63.6	66%	0.663	35%	0.347	S	S	*	.	H	α-helix	trans	-77	-25.5	177.1	58.6	0	0	0	0	112.9	S397 F398 I399 S403	S397-T401 WeakPolarHBondContact O-CG2 3.47Å; S397-T401 PolarHBondContact O-N 3.03Å; F398-T401 PolarHBondContact O-N 2.87Å; F398-T401 PolarHBondContact O-OG1 3.34Å; I399-T401 VanDerWaalsContact C-N 3.29Å; I399-T401 PolarHBondContact O-N 2.82Å; T401-S403 PolarHBondContact O-N 3.09Å
402	K	70.7	Confident	64.9	Low	95 Å²	95	70.4 Å²	70.4	41%	0.413	38%	0.379	S	S	.	.	S	Bend	trans	-74.6	119.8	166.8	-69.4	-173.6	172.6	-179.2	0	108	F398 I399 T404 Y405	F398-K402 HydrophobicContact CE1-CD 4.12Å; F398-K402 HydrophobicContact CZ-CD 4.18Å; F398-K402 VanDerWaalsContact CZ-NZ 3.3Å; F398-K402 PolarHBondContact O-N 3.48Å; I399-K402 PolarHBondContact O-N 3.36Å; K402-T404 WeakPolarHBondContact CB-OG1 3.31Å; K402-T404 PolarHBondContact O-N 3.43Å; K402-T404 PolarHBondContact O-OG1 2.75Å; K402-Y405 PolarHBondContact O-N 3.11Å
403	S	52.8	Low	62.7	Low	88 Å²	88	73.4 Å²	73.4	62%	0.615	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	-20.2	-180	157.6	0	0	0	0	115.6	T401 Y405 H406	T401-S403 PolarHBondContact O-N 3.09Å; S403-Y405 VanDerWaalsContact C-N 3.27Å; S403-Y405 PolarHBondContact O-N 2.98Å; S403-H406 PolarHBondContact O-N 3.47Å
404	T	53.5	Low	60.7	Low	35 Å²	35	71.1 Å²	71.1	22%	0.215	40%	0.396	C	S	.	.	H	α-helix	trans	-48.3	-36.9	173.4	45.8	0	0	0	0	115.2	K402 H406 Q408	K402-T404 WeakPolarHBondContact CB-OG1 3.31Å; K402-T404 PolarHBondContact O-N 3.43Å; K402-T404 PolarHBondContact O-OG1 2.75Å; T404-H406 PolarHBondContact O-N 3.15Å; T404-Q408 PolarHBondContact O-NE2 3.37Å; T404-Q408 PolarHBondContact O-OE1 2.94Å
405	Y	48.2	Very low	58.3	Low	43 Å²	43	73 Å²	73	17%	0.169	40%	0.402	C	S	.	.	H	α-helix	trans	-68.2	-34.1	-178.5	-172.6	-91	0	0	0	113	L396 I399 K400 K402 S403 H407 Q408 A409 L427	L396-Y405 HydrophobicContact CD1-CE2 4.35Å; I399-Y405 HydrophobicContact CG2-CD2 4.31Å; K400-Y405 HydrophobicContact CG-CD1 4.1Å; K400-Y405 HydrophobicContact CG-CD2 4.07Å; K400-Y405 HydrophobicContact CG-CE1 4.18Å; K400-Y405 HydrophobicContact CG-CE2 4.12Å; K400-Y405 HydrophobicContact CG-CG 4.03Å; K402-Y405 PolarHBondContact O-N 3.11Å; S403-Y405 VanDerWaalsContact C-N 3.27Å; S403-Y405 PolarHBondContact O-N 2.98Å; Y405-H407 PolarHBondContact O-N 2.82Å; Y405-Q408 PolarHBondContact O-N 3.35Å; Y405-A409 PolarHBondContact O-N 2.98Å; Y405-L427 HydrophobicContact CE2-CD2 3.77Å; Y405-L427 HydrophobicContact CE2-CG 3.85Å; Y405-L427 WeakPolarHBondContact OH-CD2 3.11Å
406	H	46.7	Very low	55.8	Low	142 Å²	142	77.9 Å²	77.9	66%	0.657	44%	0.436	S	S	*	.	H	α-helix	trans	-74.5	-24.5	-171.9	-75.5	-74.8	0	0	0	114.5	S403 T404	S403-H406 PolarHBondContact O-N 3.47Å; T404-H406 PolarHBondContact O-N 3.15Å
407	H	47.6	Very low	53.5	Low	128 Å²	128	83.2 Å²	83.2	59%	0.593	47%	0.465	S	S	*	.	H	α-helix	trans	-89.4	-17.9	175.4	-75.9	-9.9	0	0	0	113.5	Y405 A410	Y405-H407 PolarHBondContact O-N 2.82Å; H407-A410 WeakPolarHBondContact O-CB 3.47Å
408	Q	48.9	Very low	51.3	Low	15 Å²	15	81.7 Å²	81.7	7%	0.07	46%	0.457	C	S	.	.	H	α-helix	trans	-98.9	-24	-173.9	-71.5	153.9	20.2	0	0	113.3	T404 Y405 A410 I411 Y430 V434	T404-Q408 PolarHBondContact O-NE2 3.37Å; T404-Q408 PolarHBondContact O-OE1 2.94Å; Y405-Q408 PolarHBondContact O-N 3.35Å; Q408-A410 PolarHBondContact O-N 3.48Å; Q408-I411 PolarHBondContact O-N 3.37Å; Q408-Y430 HydrophobicContact CB-CE1 4.32Å; Q408-V434 VanDerWaalsContact CD-CG1 3.44Å; Q408-V434 HydrophobicContact CG-CG1 4.34Å; Q408-V434 HydrophobicContact CG-CG2 4.34Å
409	A	43.5	Very low	49.2	Very low	45 Å²	45	85.2 Å²	85.2	37%	0.372	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-2.6	167.3	0	0	0	0	0	113.6	Y405 I411	Y405-A409 PolarHBondContact O-N 2.98Å; A409-I411 PolarHBondContact O-N 3.03Å
410	A	38.2	Very low	47.5	Very low	82 Å²	82	90.3 Å²	90.3	68%	0.678	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.8	173.8	0	0	0	0	0	113.9	H407 Q408 E412	H407-A410 WeakPolarHBondContact O-CB 3.47Å; Q408-A410 PolarHBondContact O-N 3.48Å; A410-E412 PolarHBondContact O-N 3.38Å
411	I	47	Very low	46.4	Very low	32 Å²	32	92.8 Å²	92.8	16%	0.164	52%	0.524	C	S	.	.	S	Bend	trans	-81.6	96.6	159.1	-39.5	174.5	0	0	0	105.9	Q408 A409 Y430 H527	Q408-I411 PolarHBondContact O-N 3.37Å; A409-I411 PolarHBondContact O-N 3.03Å; I411-Y430 HydrophobicContact CD1-CE1 4.21Å; I411-Y430 WeakPolarHBondContact CD1-OH 3.41Å; I411-H527 WeakPolarHBondContact CD1-CD2 3.39Å
412	E	36.4	Very low	45.1	Very low	164 Å²	164	92 Å²	92	77%	0.766	52%	0.516	S	S	*	.			trans	-51.4	125.1	179.5	-69.2	-170.5	161.5	0	0	109.3	A410 V414	A410-E412 PolarHBondContact O-N 3.38Å; E412-V414 PolarHBondContact O-N 2.98Å
413	P	42.9	Very low	44.4	Very low	69 Å²	69	89.5 Å²	89.5	45%	0.448	51%	0.507	S	S	.	.			trans	-57.7	132.2	168.1	23	-30.7	0	0	0	107.5	N415	P413-N415 PolarHBondContact O-N 3.2Å
414	V	42.7	Very low	45.1	Very low	96 Å²	96	86.7 Å²	86.7	58%	0.582	49%	0.492	S	S	*	.	S	Bend	trans	-57.1	-7.8	-176.8	177.9	0	0	0	0	112.6	E412	E412-V414 PolarHBondContact O-N 2.98Å
415	N	35.9	Very low	46.1	Very low	95 Å²	95	87.3 Å²	87.3	51%	0.508	49%	0.491	S	S	.	.			trans	-147.2	95.7	175.9	-140.2	-17.9	0	0	0	112.7	P413 N417	P413-N415 PolarHBondContact O-N 3.2Å; N415-N417 PolarHBondContact O-N 3.26Å
416	S	34.4	Very low	47.6	Very low	106 Å²	106	85.9 Å²	85.9	74%	0.741	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.2	173.1	52.5	0	0	0	0	113.8	A418	S416-A418 PolarHBondContact O-N 3.03Å
417	N	34.2	Very low	49.3	Very low	144 Å²	144	81.8 Å²	81.8	77%	0.77	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	4.9	-178.1	-74.4	-13.4	0	0	0	114.8	N415 N419	N415-N417 PolarHBondContact O-N 3.26Å; N417-N419 PolarHBondContact O-N 2.86Å; N417-N419 VanDerWaalsContact O-N 3.14Å
418	A	38.4	Very low	51.2	Low	42 Å²	42	75.8 Å²	75.8	35%	0.347	44%	0.442	S	S	.	.			trans	-81.6	90.4	171.5	0	0	0	0	0	110	S416 N420	S416-A418 PolarHBondContact O-N 3.03Å; A418-N420 PolarHBondContact O-N 3.04Å
419	N	38.5	Very low	53.2	Low	153 Å²	153	75.1 Å²	75.1	82%	0.818	44%	0.439	S	S	*	.			trans	-48.4	106.7	145.9	-76.3	-22.3	0	0	0	106.2	N417	N417-N419 PolarHBondContact O-N 2.86Å; N417-N419 VanDerWaalsContact O-N 3.14Å
420	N	44.5	Very low	55.5	Low	121 Å²	121	74 Å²	74	65%	0.647	43%	0.426	S	S	*	.	S	Bend	trans	173.7	138.8	161.2	-88.5	-27.5	0	0	0	112.1	A418 D422 N423	A418-N420 PolarHBondContact O-N 3.04Å; N420-D422 PolarHBondContact O-N 2.99Å; N420-N423 PolarHBondContact O-N 2.76Å
421	N	51.5	Low	57.9	Low	145 Å²	145	70.4 Å²	70.4	78%	0.775	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-15.5	173.3	-72	-35.1	0	0	0	114.3	G424	N421-G424 PolarHBondContact O-N 3.44Å
422	D	50.8	Low	60.1	Low	91 Å²	91	69.1 Å²	69.1	49%	0.487	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-31.2	-174.4	-64.3	-26.4	0	0	0	114.4	N420 G424 Y425	N420-D422 PolarHBondContact O-N 2.99Å; D422-G424 PolarHBondContact O-N 2.89Å; D422-Y425 PolarHBondContact O-N 3.08Å
423	N	55.4	Low	62.9	Low	43 Å²	43	61.3 Å²	61.3	23%	0.23	35%	0.353	C	S	.	.	H	α-helix	trans	-67.1	-19.8	175.8	-84.2	-3.7	0	0	0	112.6	N420 Y425 R506	N420-N423 PolarHBondContact O-N 2.76Å; N423-Y425 VanDerWaalsContact C-N 3.3Å; N423-Y425 PolarHBondContact O-N 3.25Å; N423-R506 PolarHBondContact OD1-NH2 3.26Å
424	G	69.1	Low	65.2	Low	29 Å²	29	58 Å²	58	30%	0.299	33%	0.331	S	S	.	.	H	α-helix	trans	-65.8	-30.1	179.1	0	0	0	0	0	113.5	N421 D422 L428	N421-G424 PolarHBondContact O-N 3.44Å; D422-G424 PolarHBondContact O-N 2.89Å; G424-L428 VanDerWaalsContact O-CB 3.27Å; G424-L428 WeakPolarHBondContact O-CB 3.25Å; G424-L428 PolarHBondContact O-N 3.41Å
425	Y	73.6	Confident	67.5	Low	48 Å²	48	54.8 Å²	54.8	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-74.1	-48.7	-177.4	-73.1	-74.7	0	0	0	112.4	P365 D422 N423 L427 L428 C429	P365-Y425 HydrophobicContact CB-CD1 4.49Å; D422-Y425 PolarHBondContact O-N 3.08Å; N423-Y425 VanDerWaalsContact C-N 3.3Å; N423-Y425 PolarHBondContact O-N 3.25Å; Y425-L427 VanDerWaalsContact C-N 3.27Å; Y425-L427 PolarHBondContact O-N 2.82Å; Y425-L428 WeakPolarHBondContact O-CB 3.21Å; Y425-L428 PolarHBondContact O-N 2.86Å; Y425-L428 VanDerWaalsContact O-N 3.09Å; Y425-C429 PolarHBondContact O-N 2.81Å; Y425-C429 PolarHBondContact O-SG 3.43Å
426	S	79.6	Confident	70.3	Confident	14 Å²	14	50.3 Å²	50.3	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-40.8	179.6	-52.7	0	0	0	0	111.4	C429 Y430 E502	S426-C429 WeakPolarHBondContact O-CB 3.4Å; S426-C429 PolarHBondContact O-N 2.84Å; S426-Y430 PolarHBondContact O-N 3.27Å; S426-E502 PolarHBondContact OG-O 2.73Å
427	L	82.1	Confident	73.1	Confident	55 Å²	55	45.2 Å²	45.2	29%	0.288	25%	0.251	S	S	.	.	H	α-helix	trans	-67.4	-37.8	175.7	-174.2	57	0	0	0	112.7	Y405 Y425 Y430 A431	Y405-L427 HydrophobicContact CE2-CD2 3.77Å; Y405-L427 HydrophobicContact CE2-CG 3.85Å; Y405-L427 WeakPolarHBondContact OH-CD2 3.11Å; Y425-L427 VanDerWaalsContact C-N 3.27Å; Y425-L427 PolarHBondContact O-N 2.82Å; L427-Y430 PolarHBondContact O-N 3.22Å; L427-A431 WeakPolarHBondContact O-CB 3.41Å; L427-A431 PolarHBondContact O-N 3.14Å
428	L	86.6	Confident	75.8	Confident	3 Å²	3	39 Å²	39	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-41.7	172.7	178.5	58.2	0	0	0	111.6	P365 L395 L396 I399 G424 Y425 A431 L432	P365-L428 HydrophobicContact CB-CD2 3.65Å; P365-L428 HydrophobicContact CB-CG 4.38Å; P365-L428 HydrophobicContact CG-CD2 3.64Å; P365-L428 HydrophobicContact CG-CG 3.89Å; L395-L428 HydrophobicContact CG-CD1 4.38Å; L396-L428 HydrophobicContact CB-CD1 4.26Å; L396-L428 HydrophobicContact CB-CD2 4.38Å; L396-L428 HydrophobicContact CD1-CB 4.35Å; L396-L428 HydrophobicContact CD1-CD1 4.1Å; I399-L428 HydrophobicContact CD1-CD1 3.49Å; I399-L428 VanDerWaalsContact CD1-CD1 3.49Å; G424-L428 VanDerWaalsContact O-CB 3.27Å; G424-L428 WeakPolarHBondContact O-CB 3.25Å; G424-L428 PolarHBondContact O-N 3.41Å; Y425-L428 WeakPolarHBondContact O-CB 3.21Å; Y425-L428 PolarHBondContact O-N 2.86Å; Y425-L428 VanDerWaalsContact O-N 3.09Å; L428-A431 PolarHBondContact O-N 3.27Å; L428-L432 HydrophobicContact CD1-CD1 4.34Å; L428-L432 HydrophobicContact CD1-CG 4.42Å; L428-L432 HydrophobicContact CG-CD1 4.32Å; L428-L432 WeakPolarHBondContact O-CG 3.22Å; L428-L432 PolarHBondContact O-N 2.92Å
429	C	92.1	Very high	78.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-46.2	175.9	-63.2	0	0	0	0	112	C366 Y425 S426 L432 A433 C516 S520	C366-C429 HydrophobicContact CB-CB 4.12Å; C366-C429 WeakPolarHBondContact CB-SG 3.16Å; C366-C429 WeakPolarHBondContact SG-CA 3.42Å; C366-C429 WeakPolarHBondContact SG-CB 3.48Å; C366-C429 CovalentContact SG-SG 2Å; C366-C429 PolarHBondContact SG-SG 3.18Å; Y425-C429 PolarHBondContact O-N 2.81Å; Y425-C429 PolarHBondContact O-SG 3.43Å; S426-C429 WeakPolarHBondContact O-CB 3.4Å; S426-C429 PolarHBondContact O-N 2.84Å; C429-L432 PolarHBondContact O-N 3.44Å; C429-A433 PolarHBondContact O-N 3.43Å; C429-C516 VanDerWaalsContact SG-SG 3.64Å; C429-S520 WeakPolarHBondContact CB-OG 3.35Å
430	Y	91.7	Very high	80.9	Confident	22 Å²	22	33.5 Å²	33.5	9%	0.086	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-45.7	175	-173.2	-99.1	0	0	0	112.1	Q408 I411 S426 L427 L432 A433 V434 T523 A524 S528	Q408-Y430 HydrophobicContact CB-CE1 4.32Å; I411-Y430 HydrophobicContact CD1-CE1 4.21Å; I411-Y430 WeakPolarHBondContact CD1-OH 3.41Å; S426-Y430 PolarHBondContact O-N 3.27Å; L427-Y430 PolarHBondContact O-N 3.22Å; Y430-L432 VanDerWaalsContact C-N 3.31Å; Y430-L432 PolarHBondContact O-N 2.88Å; Y430-A433 WeakPolarHBondContact O-CA 3.13Å; Y430-A433 WeakPolarHBondContact O-CB 3.48Å; Y430-A433 PolarHBondContact O-N 3.46Å; Y430-A433 VanDerWaalsContact O-N 3.09Å; Y430-V434 HydrophobicContact CD1-CG2 4Å; Y430-V434 HydrophobicContact CE1-CG2 3.53Å; Y430-V434 WeakPolarHBondContact O-CG2 3.35Å; Y430-V434 PolarHBondContact O-N 2.79Å; Y430-T523 HydrophobicContact CD2-CG2 4.35Å; Y430-T523 HydrophobicContact CE2-CG2 3.8Å; Y430-A524 HydrophobicContact CD2-CB 4.34Å; Y430-A524 HydrophobicContact CE2-CB 3.81Å; Y430-S528 PolarHBondContact OH-OG 3.3Å
431	A	89.4	Confident	83.2	Confident	6 Å²	6	29.9 Å²	29.9	5%	0.05	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-36.6	179.3	0	0	0	0	0	112.6	I399 L427 L428 V434 N435	I399-A431 HydrophobicContact CG2-CB 3.8Å; L427-A431 WeakPolarHBondContact O-CB 3.41Å; L427-A431 PolarHBondContact O-N 3.14Å; L428-A431 PolarHBondContact O-N 3.27Å; A431-V434 PolarHBondContact O-N 3.31Å; A431-N435 WeakPolarHBondContact O-CB 3.07Å; A431-N435 PolarHBondContact O-N 3.26Å
432	L	91.9	Very high	85.1	Confident	5 Å²	5	24.3 Å²	24.3	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-39.1	172.8	-73.7	169.7	0	0	0	112	A348 P365 L395 I399 L428 C429 Y430 N435 V436	A348-L432 HydrophobicContact CB-CD1 4.23Å; A348-L432 HydrophobicContact CB-CD2 4.18Å; P365-L432 HydrophobicContact CG-CD1 3.6Å; L395-L432 HydrophobicContact CD2-CD1 4.06Å; L395-L432 HydrophobicContact CD2-CD2 4.19Å; I399-L432 HydrophobicContact CD1-CD2 3.71Å; I399-L432 HydrophobicContact CD1-CG 4Å; L428-L432 HydrophobicContact CD1-CD1 4.34Å; L428-L432 HydrophobicContact CD1-CG 4.42Å; L428-L432 HydrophobicContact CG-CD1 4.32Å; L428-L432 WeakPolarHBondContact O-CG 3.22Å; L428-L432 PolarHBondContact O-N 2.92Å; C429-L432 PolarHBondContact O-N 3.44Å; Y430-L432 VanDerWaalsContact C-N 3.31Å; Y430-L432 PolarHBondContact O-N 2.88Å; L432-N435 WeakPolarHBondContact O-CB 3.36Å; L432-N435 PolarHBondContact O-N 2.98Å; L432-V436 PolarHBondContact O-N 3.49Å
433	A	94.8	Very high	87	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-43.8	172.8	0	0	0	0	0	112.1	M344 C429 Y430 N435 V436 S520 F521 A524	M344-A433 HydrophobicContact CE-CB 3.96Å; M344-A433 HydrophobicContact SD-CB 4.41Å; C429-A433 PolarHBondContact O-N 3.43Å; Y430-A433 WeakPolarHBondContact O-CA 3.13Å; Y430-A433 WeakPolarHBondContact O-CB 3.48Å; Y430-A433 PolarHBondContact O-N 3.46Å; Y430-A433 VanDerWaalsContact O-N 3.09Å; A433-N435 VanDerWaalsContact C-N 3.29Å; A433-N435 PolarHBondContact O-N 3.48Å; A433-V436 WeakPolarHBondContact O-CB 3.49Å; A433-V436 PolarHBondContact O-N 2.91Å; A433-V436 VanDerWaalsContact O-N 3.14Å; A433-S520 WeakPolarHBondContact CB-O 3.35Å; A433-F521 HydrophobicContact CB-CB 4.35Å; A433-A524 HydrophobicContact CB-CB 3.81Å
434	V	92.7	Very high	88.1	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.3	-33.4	175.5	-174	0	0	0	0	111.6	Q408 Y430 A431 V436 L437 Q438 A524	Q408-V434 VanDerWaalsContact CD-CG1 3.44Å; Q408-V434 HydrophobicContact CG-CG1 4.34Å; Q408-V434 HydrophobicContact CG-CG2 4.34Å; Y430-V434 HydrophobicContact CD1-CG2 4Å; Y430-V434 HydrophobicContact CE1-CG2 3.53Å; Y430-V434 WeakPolarHBondContact O-CG2 3.35Å; Y430-V434 PolarHBondContact O-N 2.79Å; A431-V434 PolarHBondContact O-N 3.31Å; V434-V436 PolarHBondContact O-N 3Å; V434-L437 WeakPolarHBondContact O-CB 3.26Å; V434-L437 PolarHBondContact O-N 2.84Å; V434-Q438 PolarHBondContact O-N 2.93Å; V434-A524 HydrophobicContact CG2-CB 3.77Å
435	N	90.6	Very high	88.1	Confident	29 Å²	29	26 Å²	26	16%	0.155	15%	0.146	C	C	.	.	H	α-helix	trans	-58.6	-31	173.5	-179.3	-105	0	0	0	112.2	N347 A431 L432 A433 Q438 N439	N347-N435 PolarHBondContact ND2-OD1 3.49Å; A431-N435 WeakPolarHBondContact O-CB 3.07Å; A431-N435 PolarHBondContact O-N 3.26Å; L432-N435 WeakPolarHBondContact O-CB 3.36Å; L432-N435 PolarHBondContact O-N 2.98Å; A433-N435 VanDerWaalsContact C-N 3.29Å; A433-N435 PolarHBondContact O-N 3.48Å; N435-Q438 PolarHBondContact O-N 3.04Å; N435-N439 PolarHBondContact ND2-ND2 2.91Å; N435-N439 PolarHBondContact O-N 3.01Å
436	V	93.5	Very high	88.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-37.2	172.5	176.2	0	0	0	0	112.3	L335 A340 M344 L432 A433 V434 Q438 P440 F521	L335-V436 HydrophobicContact CD2-CG1 3.83Å; A340-V436 HydrophobicContact CB-CG1 4.39Å; M344-V436 HydrophobicContact CB-CG2 4.34Å; M344-V436 HydrophobicContact CG-CG2 3.51Å; L432-V436 PolarHBondContact O-N 3.49Å; A433-V436 WeakPolarHBondContact O-CB 3.49Å; A433-V436 PolarHBondContact O-N 2.91Å; A433-V436 VanDerWaalsContact O-N 3.14Å; V434-V436 PolarHBondContact O-N 3Å; V436-Q438 PolarHBondContact O-N 3.32Å; V436-P440 HydrophobicContact CG1-CB 4.37Å; V436-P440 WeakPolarHBondContact O-CD 3.29Å; V436-P440 VanDerWaalsContact O-N 3.12Å; V436-F521 HydrophobicContact CB-CE2 4.4Å; V436-F521 HydrophobicContact CG1-CE2 3.97Å
437	L	93.8	Very high	88.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-17	175.9	-55.2	179.9	0	0	0	112.9	L335 V434 N455 I456 V457 F521 A524 L525	L335-L437 HydrophobicContact CD1-CD2 4.18Å; L335-L437 HydrophobicContact CD2-CD2 4.47Å; V434-L437 WeakPolarHBondContact O-CB 3.26Å; V434-L437 PolarHBondContact O-N 2.84Å; L437-N455 HydrophobicContact CB-CB 4.38Å; L437-N455 CarbonylContact O-C 3.44Å; L437-N455 WeakPolarHBondContact O-CA 3.27Å; L437-I456 WeakPolarHBondContact O-CG1 3.4Å; L437-I456 PolarHBondContact O-N 3.44Å; L437-V457 HydrophobicContact CD2-CG2 4.2Å; L437-F521 HydrophobicContact CD2-CE2 3.92Å; L437-F521 HydrophobicContact CD2-CZ 4.47Å; L437-A524 HydrophobicContact CD1-CB 4.09Å; L437-A524 VanDerWaalsContact CD1-O 3.28Å; L437-A524 WeakPolarHBondContact CD1-O 3.37Å; L437-L525 HydrophobicContact CD2-CB 4.34Å; L437-L525 HydrophobicContact CD2-CD1 3.84Å
438	Q	90.9	Very high	88.5	Confident	12 Å²	12	35.2 Å²	35.2	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-96.2	-58.4	173.8	-63.2	172.2	-19.9	0	0	109	V434 N435 V436 P440 R449 N453 N455	V434-Q438 PolarHBondContact O-N 2.93Å; N435-Q438 PolarHBondContact O-N 3.04Å; V436-Q438 PolarHBondContact O-N 3.32Å; Q438-P440 VanDerWaalsContact C-CD 3.47Å; Q438-P440 VanDerWaalsContact O-CD 3.25Å; Q438-P440 WeakPolarHBondContact O-CD 3.32Å; Q438-R449 VanDerWaalsContact CA-NH1 3.28Å; Q438-R449 PolarHBondContact O-NH1 2.78Å; Q438-R449 PolarHBondContact O-NH2 2.83Å; Q438-N453 PolarHBondContact NE2-O 2.89Å; Q438-N455 WeakPolarHBondContact CG-OD1 3.47Å
439	N	89.8	Confident	88.7	Confident	69 Å²	69	38.6 Å²	38.6	37%	0.369	21%	0.21	S	C	.	.	S	Bend	trans	-123.7	71.4	-169.6	-50.8	-74	0	0	0	109.2	N347 N435 R449	N347-N439 PolarHBondContact ND2-O 3.03Å; N435-N439 PolarHBondContact ND2-ND2 2.91Å; N435-N439 PolarHBondContact O-N 3.01Å; N439-R449 PolarHBondContact OD1-NH2 2.76Å
440	P	93.7	Very high	88.7	Confident	11 Å²	11	40 Å²	40	7%	0.071	22%	0.215	C	C	.	.			trans	-67.1	149.1	171.9	32.9	-35.4	0	0	0	109.3	L335 V436 Q438 I456	L335-P440 HydrophobicContact CD2-CB 3.96Å; L335-P440 HydrophobicContact CD2-CG 4.44Å; V436-P440 HydrophobicContact CG1-CB 4.37Å; V436-P440 WeakPolarHBondContact O-CD 3.29Å; V436-P440 VanDerWaalsContact O-N 3.12Å; Q438-P440 VanDerWaalsContact C-CD 3.47Å; Q438-P440 VanDerWaalsContact O-CD 3.25Å; Q438-P440 WeakPolarHBondContact O-CD 3.32Å; P440-I456 HydrophobicContact CG-CD1 3.76Å
441	V	93	Very high	88.5	Confident	45 Å²	45	44.1 Å²	44.1	27%	0.273	25%	0.245	S	C	.	.	S	Bend	trans	-86.9	-27.4	179.4	-176.2	0	0	0	0	111.2	Y342 S343 H346 N347	Y342-V441 HydrophobicContact CD1-CB 4.22Å; Y342-V441 HydrophobicContact CD1-CG1 4.26Å; Y342-V441 HydrophobicContact CE1-CB 4.02Å; Y342-V441 HydrophobicContact CE1-CG1 3.55Å; S343-V441 PolarHBondContact OG-N 3.27Å; H346-V441 HydrophobicContact CB-CG2 3.94Å; N347-V441 WeakPolarHBondContact OD1-CG2 3.35Å
442	E	91.9	Very high	88.4	Confident	29 Å²	29	48 Å²	48	14%	0.136	27%	0.27	C	S	.	.	S	Bend	trans	-110.6	164.9	177.4	-65.4	-174.2	152.6	0	0	111.2	L209 G334 S339 Y342 H377	L209-E442 HydrophobicContact CD2-CB 4.38Å; G334-E442 WeakPolarHBondContact CA-O 3.47Å; S339-E442 VanDerWaalsContact CA-OE2 3.31Å; S339-E442 WeakPolarHBondContact CA-OE2 3.42Å; S339-E442 WeakPolarHBondContact CB-OE2 3.39Å; S339-E442 PolarHBondContact OG-OE2 3.11Å; Y342-E442 HydrophobicContact CD1-CG 3.79Å; Y342-E442 HydrophobicContact CE1-CG 4.04Å; H377-E442 IonicContact CD2-OE1 2.81Å; H377-E442 IonicContact CE1-OE1 3.92Å; H377-E442 IonicContact CE1-OE2 3.4Å; H377-E442 IonicContact NE2-OE1 3.68Å; H377-E442 PolarHBondContact NE2-OE1 2.78Å; H377-E442 IonicContact NE2-OE2 2.92Å; H377-E442 PolarHBondContact NE2-OE2 3.21Å; H377-E442 VanDerWaalsContact NE2-OE2 3.16Å
443	G	90	Very high	88	Confident	26 Å²	26	49.3 Å²	49.3	27%	0.268	28%	0.277	S	S	.	.	S	Bend	trans	90.3	-157.5	-178.6	0	0	0	0	0	112.8	L333 V445	L333-G443 WeakPolarHBondContact O-CA 3.3Å; G443-V445 PolarHBondContact O-N 2.73Å
444	D	78.6	Confident	87.7	Confident	92 Å²	92	53.6 Å²	53.6	49%	0.492	30%	0.3	S	S	.	.			trans	-84.7	102.5	175.1	-170.9	-4.7	0	0	0	108.8	N446 V447	D444-N446 VanDerWaalsContact C-N 3.29Å; D444-N446 PolarHBondContact OD1-N 2.87Å; D444-N446 VanDerWaalsContact OD1-N 3.12Å; D444-V447 HydrophobicContact CB-CG2 3.46Å; D444-V447 VanDerWaalsContact CB-CG2 3.46Å; D444-V447 WeakPolarHBondContact O-CG2 3.19Å
445	V	70.2	Confident	87.7	Confident	80 Å²	80	53.7 Å²	53.7	49%	0.485	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.8	-179.1	-64.3	0	0	0	0	112.6	G443 V447	G443-V445 PolarHBondContact O-N 2.73Å; V445-V447 VanDerWaalsContact C-N 3.32Å; V445-V447 PolarHBondContact O-N 2.8Å
446	N	74.2	Confident	87.8	Confident	150 Å²	150	52.7 Å²	52.7	80%	0.802	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	33.6	-178.8	-68.4	-33.9	0	0	0	112.1	D444	D444-N446 VanDerWaalsContact C-N 3.29Å; D444-N446 PolarHBondContact OD1-N 2.87Å; D444-N446 VanDerWaalsContact OD1-N 3.12Å
447	V	80.2	Confident	87.9	Confident	42 Å²	42	52.8 Å²	52.8	26%	0.255	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-90.2	148.6	-175.2	177.8	0	0	0	0	111.8	D444 V445 R449 I456	D444-V447 HydrophobicContact CB-CG2 3.46Å; D444-V447 VanDerWaalsContact CB-CG2 3.46Å; D444-V447 WeakPolarHBondContact O-CG2 3.19Å; V445-V447 VanDerWaalsContact C-N 3.32Å; V445-V447 PolarHBondContact O-N 2.8Å; V447-R449 PolarHBondContact O-N 2.95Å; V447-I456 HydrophobicContact CB-CG2 4.5Å; V447-I456 HydrophobicContact CG1-CB 4.42Å
448	I	89.2	Confident	87.9	Confident	118 Å²	118	53.8 Å²	53.8	61%	0.605	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-57.6	130.8	171.5	-61.4	171.4	0	0	0	109.6	Y450	I448-Y450 HydrophobicContact CB-CE1 4.45Å; I448-Y450 HydrophobicContact CG2-CD1 4.31Å; I448-Y450 HydrophobicContact CG2-CE1 3.84Å; I448-Y450 VanDerWaalsContact O-CE2 3.3Å; I448-Y450 WeakPolarHBondContact O-CE2 3.19Å
449	R	90.7	Very high	88.1	Confident	74 Å²	74	55.8 Å²	55.8	28%	0.279	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-94.9	137.7	173.8	-63.1	170.7	177.1	-73.9	-11.3	109.9	Q438 N439 V447 N454 N455 I456	Q438-R449 VanDerWaalsContact CA-NH1 3.28Å; Q438-R449 PolarHBondContact O-NH1 2.78Å; Q438-R449 PolarHBondContact O-NH2 2.83Å; N439-R449 PolarHBondContact OD1-NH2 2.76Å; V447-R449 PolarHBondContact O-N 2.95Å; R449-N454 WeakPolarHBondContact CB-OD1 3.44Å; R449-N454 WeakPolarHBondContact CD-OD1 3.46Å; R449-N454 PolarHBondContact NH1-O 2.64Å; R449-N455 CarbonylContact C-O 3.56Å; R449-N455 WeakPolarHBondContact CA-O 3.4Å; R449-I456 HydrophobicContact CG-CG2 4.32Å
450	Y	91.7	Very high	88.4	Confident	29 Å²	29	52.6 Å²	52.6	11%	0.114	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-104.4	142.1	-173.5	-57.8	-75.9	0	0	0	111.6	P307 I448 N454 N455 I456 H458	P307-Y450 HydrophobicContact CB-CE1 3.95Å; P307-Y450 HydrophobicContact CG-CD1 4.23Å; P307-Y450 HydrophobicContact CG-CE1 3.42Å; P307-Y450 VanDerWaalsContact CG-CE1 3.42Å; I448-Y450 HydrophobicContact CB-CE1 4.45Å; I448-Y450 HydrophobicContact CG2-CD1 4.31Å; I448-Y450 HydrophobicContact CG2-CE1 3.84Å; I448-Y450 VanDerWaalsContact O-CE2 3.3Å; I448-Y450 WeakPolarHBondContact O-CE2 3.19Å; Y450-N454 WeakPolarHBondContact O-CA 3.42Å; Y450-N454 PolarHBondContact O-N 2.95Å; Y450-N455 PolarHBondContact N-O 3.27Å; Y450-N455 PolarHBondContact O-N 2.74Å; Y450-I456 WeakPolarHBondContact CE2-O 3.32Å; Y450-H458 HydrophobicContact CD1-CB 4.34Å; Y450-H458 AromaticContact CD1-CD2 3.95Å; Y450-H458 HydrophobicContact CD2-CB 3.76Å; Y450-H458 HydrophobicContact CE1-CB 4.48Å; Y450-H458 HydrophobicContact CE2-CB 3.91Å; Y450-H458 HydrophobicContact CG-CB 3.98Å
451	P	88.2	Confident	88.3	Confident	109 Å²	109	55.9 Å²	55.9	71%	0.708	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	159.5	166.5	30.1	-34.7	0	0	0	110.8
452	P	87	Confident	88.3	Confident	89 Å²	89	53.7 Å²	53.7	58%	0.578	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84	-17.4	-0.1	32.5	-34.1	0	0	0	113.7
453	N	83.6	Confident	88.5	Confident	31 Å²	31	52.4 Å²	52.4	17%	0.166	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	3.9	-164.5	-64.3	-35.2	0	0	0	115	Q438 N455	Q438-N453 PolarHBondContact NE2-O 2.89Å; N453-N455 WeakPolarHBondContact CB-ND2 3.09Å; N453-N455 PolarHBondContact O-N 2.75Å; N453-N455 PolarHBondContact O-OD1 3.03Å
454	N	88.7	Confident	88.6	Confident	91 Å²	91	56.1 Å²	56.1	49%	0.487	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	31.6	-174.4	-160.4	41.5	0	0	0	113	R449 Y450	R449-N454 WeakPolarHBondContact CB-OD1 3.44Å; R449-N454 WeakPolarHBondContact CD-OD1 3.46Å; R449-N454 PolarHBondContact NH1-O 2.64Å; Y450-N454 WeakPolarHBondContact O-CA 3.42Å; Y450-N454 PolarHBondContact O-N 2.95Å
455	N	91.5	Very high	89.3	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.011	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-85.8	150.1	179.6	-67.6	-10.1	0	0	0	109.9	L437 Q438 R449 Y450 N453 V457 S528	L437-N455 HydrophobicContact CB-CB 4.38Å; L437-N455 CarbonylContact O-C 3.44Å; L437-N455 WeakPolarHBondContact O-CA 3.27Å; Q438-N455 WeakPolarHBondContact CG-OD1 3.47Å; R449-N455 CarbonylContact C-O 3.56Å; R449-N455 WeakPolarHBondContact CA-O 3.4Å; Y450-N455 PolarHBondContact N-O 3.27Å; Y450-N455 PolarHBondContact O-N 2.74Å; N453-N455 WeakPolarHBondContact CB-ND2 3.09Å; N453-N455 PolarHBondContact O-N 2.75Å; N453-N455 PolarHBondContact O-OD1 3.03Å; N455-V457 PolarHBondContact O-N 3.42Å; N455-S528 PolarHBondContact ND2-O 2.97Å
456	I	93.5	Very high	90.4	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.036	28%	0.283	C	S	.	.	S	Bend	trans	-72.6	-14.4	170.6	65.4	154.3	0	0	0	112	Y332 L335 L437 P440 V447 R449 Y450	Y332-I456 WeakPolarHBondContact CE1-O 3.37Å; L335-I456 HydrophobicContact CD1-CD1 3.65Å; L335-I456 HydrophobicContact CD1-CG1 3.85Å; L335-I456 HydrophobicContact CD2-CD1 4.29Å; L335-I456 HydrophobicContact CG-CD1 3.92Å; L437-I456 WeakPolarHBondContact O-CG1 3.4Å; L437-I456 PolarHBondContact O-N 3.44Å; P440-I456 HydrophobicContact CG-CD1 3.76Å; V447-I456 HydrophobicContact CB-CG2 4.5Å; V447-I456 HydrophobicContact CG1-CB 4.42Å; R449-I456 HydrophobicContact CG-CG2 4.32Å; Y450-I456 WeakPolarHBondContact CE2-O 3.32Å
457	V	95	Very high	91.5	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	26%	0.258	C	S	.	.	S	Bend	trans	-86.3	120.1	175.1	-173.1	0	0	0	0	109.7	Y332 L335 L437 N455 L525 G529 Y530	Y332-V457 HydrophobicContact CD1-CG2 4.34Å; Y332-V457 HydrophobicContact CE1-CB 4.33Å; Y332-V457 HydrophobicContact CE1-CG1 4.37Å; Y332-V457 HydrophobicContact CE1-CG2 4.42Å; Y332-V457 HydrophobicContact CE2-CG1 3.97Å; Y332-V457 HydrophobicContact CG-CG2 4.45Å; L335-V457 HydrophobicContact CD1-CG2 3.32Å; L437-V457 HydrophobicContact CD2-CG2 4.2Å; N455-V457 PolarHBondContact O-N 3.42Å; V457-L525 HydrophobicContact CG2-CD1 4.15Å; V457-G529 VanDerWaalsContact CG1-C 3.48Å; V457-G529 WeakPolarHBondContact CG1-O 3.27Å; V457-Y530 HydrophobicContact CG1-CD1 3.63Å; V457-Y530 HydrophobicContact CG1-CE1 3.72Å; V457-Y530 HydrophobicContact CG1-CG 4.32Å
458	H	95.1	Very high	92.3	Very high	21 Å²	21	47.2 Å²	47.2	10%	0.097	25%	0.246	C	C	.	.			trans	-75.3	142.5	172.6	174.4	-101.9	0	0	0	111	N305 P307 F310 Y328 Y332 Y450 P460	N305-H458 PolarHBondContact O-NE2 3.29Å; P307-H458 HydrophobicContact CG-CB 4.09Å; F310-H458 HydrophobicContact CE1-CB 3.88Å; Y328-H458 AromaticContact CE2-ND1 3.81Å; Y328-H458 AromaticContact CZ-ND1 3.74Å; Y328-H458 PolarHBondContact OH-ND1 3.29Å; Y332-H458 PolarHBondContact OH-N 3.2Å; Y450-H458 HydrophobicContact CD1-CB 4.34Å; Y450-H458 AromaticContact CD1-CD2 3.95Å; Y450-H458 HydrophobicContact CD2-CB 3.76Å; Y450-H458 HydrophobicContact CE1-CB 4.48Å; Y450-H458 HydrophobicContact CE2-CB 3.91Å; Y450-H458 HydrophobicContact CG-CB 3.98Å; H458-P460 WeakPolarHBondContact O-CD 3.13Å
459	Q	94.9	Very high	92.7	Very high	55 Å²	55	42.6 Å²	42.6	26%	0.257	22%	0.221	S	C	.	.			trans	-104	95.2	178.4	-66.6	-168.5	-3.1	0	0	111.8	I461 S528 G529 Y530	Q459-I461 PolarHBondContact O-N 3.35Å; Q459-S528 PolarHBondContact NE2-O 2.86Å; Q459-G529 WeakPolarHBondContact CG-O 2.99Å; Q459-Y530 WeakPolarHBondContact CA-O 3.44Å
460	P	94.5	Very high	93.1	Very high	2 Å²	2	39 Å²	39	1%	0.013	21%	0.208	C	C	.	.			trans	-70.6	128.2	171.7	15.1	-11.5	0	0	0	110.7	I293 F295 T302 Y328 H458 E462 V463	I293-P460 HydrophobicContact CD1-CG 4.13Å; F295-P460 HydrophobicContact CE1-CB 4.08Å; F295-P460 HydrophobicContact CE1-CG 3.86Å; F295-P460 HydrophobicContact CZ-CB 3.7Å; F295-P460 HydrophobicContact CZ-CG 4.01Å; T302-P460 HydrophobicContact CG2-CB 4.09Å; Y328-P460 HydrophobicContact CE1-CG 4.06Å; Y328-P460 HydrophobicContact CE2-CB 4.25Å; Y328-P460 HydrophobicContact CE2-CG 4.28Å; H458-P460 WeakPolarHBondContact O-CD 3.13Å; P460-E462 PolarHBondContact O-N 3.38Å; P460-E462 VanDerWaalsContact O-N 3.16Å; P460-V463 HydrophobicContact CB-CG1 4.28Å; P460-V463 HydrophobicContact CG-CG1 3.63Å; P460-V463 VanDerWaalsContact O-CG1 3.3Å; P460-V463 WeakPolarHBondContact O-CG1 3.22Å; P460-V463 WeakPolarHBondContact O-CG2 3.26Å; P460-V463 PolarHBondContact O-N 3.21Å; P460-V463 VanDerWaalsContact O-N 3.14Å
461	I	92.3	Very high	93.3	Very high	79 Å²	79	37.9 Å²	37.9	41%	0.405	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-58.2	-33.9	-175.2	-170.8	64.1	0	0	0	113.6	T302 Q459 V463 K464	T302-I461 WeakPolarHBondContact OG1-CG2 3.41Å; Q459-I461 PolarHBondContact O-N 3.35Å; I461-V463 PolarHBondContact O-N 3.4Å; I461-K464 HydrophobicContact CD1-CD 3.99Å; I461-K464 WeakPolarHBondContact O-CG 3.18Å; I461-K464 PolarHBondContact O-N 3.15Å
462	E	93.6	Very high	93.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-68.8	-8.8	-178.9	-92	-177.4	-95.1	0	0	114.9	F295 T298 E299 T302 P460 K464 T465 R466	F295-E462 HydrophobicContact CE2-CB 4Å; T298-E462 VanDerWaalsContact N-CD 3.35Å; T298-E462 PolarHBondContact N-OE1 2.73Å; T298-E462 VanDerWaalsContact N-OE1 3.09Å; T298-E462 PolarHBondContact N-OE2 2.94Å; T298-E462 PolarHBondContact OG1-OE2 2.91Å; E299-E462 HydrophobicContact CB-CG 4.13Å; E299-E462 VanDerWaalsContact CB-OE1 3.31Å; E299-E462 WeakPolarHBondContact CB-OE1 3.49Å; E299-E462 HydrophobicContact CG-CG 3.79Å; E299-E462 PolarHBondContact N-OE1 3.05Å; E299-E462 WeakPolarHBondContact OE1-CG 3.28Å; T302-E462 WeakPolarHBondContact CB-OE1 3.44Å; T302-E462 HydrophobicContact CG2-CB 4.31Å; T302-E462 VanDerWaalsContact OG1-CG 3.26Å; T302-E462 WeakPolarHBondContact OG1-CG 3.17Å; T302-E462 PolarHBondContact OG1-OE1 3.47Å; P460-E462 PolarHBondContact O-N 3.38Å; P460-E462 VanDerWaalsContact O-N 3.16Å; E462-K464 PolarHBondContact O-N 3.2Å; E462-T465 PolarHBondContact O-N 2.8Å; E462-T465 VanDerWaalsContact O-N 3.07Å; E462-T465 PolarHBondContact O-OG1 3.14Å; E462-R466 HydrophobicContact CB-CG 3.88Å; E462-R466 HydrophobicContact CG-CG 4.37Å; E462-R466 WeakPolarHBondContact O-CB 3.39Å; E462-R466 VanDerWaalsContact O-CG 3.23Å; E462-R466 WeakPolarHBondContact O-CG 3.4Å; E462-R466 PolarHBondContact O-N 2.91Å; E462-R466 WeakPolarHBondContact OE2-CD 3.44Å
463	V	94.8	Very high	94.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-56.1	-27.3	171.6	-62.4	0	0	0	0	112.3	I293 P460 I461 F468 F532 K536	I293-V463 HydrophobicContact CD1-CG1 4.02Å; P460-V463 HydrophobicContact CB-CG1 4.28Å; P460-V463 HydrophobicContact CG-CG1 3.63Å; P460-V463 VanDerWaalsContact O-CG1 3.3Å; P460-V463 WeakPolarHBondContact O-CG1 3.22Å; P460-V463 WeakPolarHBondContact O-CG2 3.26Å; P460-V463 PolarHBondContact O-N 3.21Å; P460-V463 VanDerWaalsContact O-N 3.14Å; I461-V463 PolarHBondContact O-N 3.4Å; V463-F468 HydrophobicContact CB-CE2 4.39Å; V463-F468 HydrophobicContact CG1-CE2 4.35Å; V463-F468 HydrophobicContact CG1-CZ 4.26Å; V463-F532 HydrophobicContact CB-CD1 3.76Å; V463-F532 HydrophobicContact CB-CE1 3.54Å; V463-F532 HydrophobicContact CB-CG 4.43Å; V463-F532 HydrophobicContact CB-CZ 3.93Å; V463-F532 HydrophobicContact CG1-CE1 4.26Å; V463-F532 HydrophobicContact CG1-CZ 4.16Å; V463-F532 HydrophobicContact CG2-CD1 4.15Å; V463-F532 HydrophobicContact CG2-CE1 4.42Å; V463-F532 WeakPolarHBondContact O-CD1 3.35Å; V463-F532 VanDerWaalsContact O-CE1 3.26Å; V463-F532 WeakPolarHBondContact O-CE1 3.4Å; V463-K536 VanDerWaalsContact O-CE 3.29Å; V463-K536 WeakPolarHBondContact O-CE 3.48Å
464	K	93.9	Very high	94.8	Very high	104 Å²	104	31.8 Å²	31.8	45%	0.452	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-42.7	178.4	-57.5	-179.3	-178.4	-178.3	0	111.6	I461 E462 P533 K536	I461-K464 HydrophobicContact CD1-CD 3.99Å; I461-K464 WeakPolarHBondContact O-CG 3.18Å; I461-K464 PolarHBondContact O-N 3.15Å; E462-K464 PolarHBondContact O-N 3.2Å; K464-P533 HydrophobicContact CB-CG 4.16Å; K464-P533 HydrophobicContact CD-CG 4.4Å; K464-P533 HydrophobicContact CG-CG 3.81Å; K464-K536 PolarHBondContact O-NZ 2.8Å
465	T	92.6	Very high	95.3	Very high	94 Å²	94	27.7 Å²	27.7	58%	0.577	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-31.7	-168.9	53.3	0	0	0	0	113.4	E462	E462-T465 PolarHBondContact O-N 2.8Å; E462-T465 VanDerWaalsContact O-N 3.07Å; E462-T465 PolarHBondContact O-OG1 3.14Å
466	R	93.4	Very high	95.5	Very high	25 Å²	25	30.9 Å²	30.9	9%	0.094	16%	0.156	C	C	.	.	S	Bend	trans	-78.1	151.2	-174.3	-56.9	-68.6	-69.5	118.3	6.7	112.9	A278 T280 F295 I296 E462 F468 K536	A278-R466 PolarHBondContact O-NH1 3.43Å; A278-R466 PolarHBondContact O-NH2 2.96Å; A278-R466 VanDerWaalsContact O-NH2 3.09Å; T280-R466 PolarHBondContact O-NH2 3.49Å; F295-R466 HydrophobicContact CD2-CG 4.42Å; I296-R466 PolarHBondContact O-NE 2.74Å; E462-R466 HydrophobicContact CB-CG 3.88Å; E462-R466 HydrophobicContact CG-CG 4.37Å; E462-R466 WeakPolarHBondContact O-CB 3.39Å; E462-R466 VanDerWaalsContact O-CG 3.23Å; E462-R466 WeakPolarHBondContact O-CG 3.4Å; E462-R466 PolarHBondContact O-N 2.91Å; E462-R466 WeakPolarHBondContact OE2-CD 3.44Å; R466-F468 HydrophobicContact CB-CD2 4.21Å; R466-F468 HydrophobicContact CB-CE2 3.73Å; R466-F468 WeakPolarHBondContact O-CD2 3.49Å; R466-K536 VanDerWaalsContact O-CE 3.32Å; R466-K536 WeakPolarHBondContact O-CE 3.41Å; R466-K536 PolarHBondContact O-NZ 2.89Å
467	E	96	Very high	95.7	Very high	58 Å²	58	30.9 Å²	30.9	27%	0.271	16%	0.156	S	C	.	.			trans	-73.7	131.2	172.1	-173	179.8	-176.4	0	0	109.4	R260 I281 G282 Y469	R260-E467 IonicContact CZ-OE2 2.84Å; R260-E467 IonicContact NH1-OE2 2.7Å; R260-E467 PolarHBondContact NH1-OE2 2.85Å; R260-E467 IonicContact NH2-OE1 2.6Å; R260-E467 IonicContact NH2-OE2 3.65Å; R260-E467 PolarHBondContact NH2-OE2 3.43Å; I281-E467 HydrophobicContact CG1-CG 4.42Å; I281-E467 HydrophobicContact CG2-CG 4.25Å; G282-E467 PolarHBondContact N-O 3.37Å; E467-Y469 HydrophobicContact CG-CE1 3.96Å; E467-Y469 VanDerWaalsContact OE1-CE1 3.22Å; E467-Y469 WeakPolarHBondContact OE1-CE1 3.26Å; E467-Y469 PolarHBondContact OE1-OH 3.34Å
468	F	98.1	Very high	95.9	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.8	178.8	-83.8	-90.2	0	0	0	111.4	G282 L284 I293 F295 V463 R466 F532 I538 G539	G282-F468 VanDerWaalsContact C-CD1 3.44Å; G282-F468 CarbonylContact O-C 3.6Å; G282-F468 VanDerWaalsContact O-CA 3.31Å; G282-F468 WeakPolarHBondContact O-CA 3.44Å; L284-F468 HydrophobicContact CD2-CD1 4.16Å; L284-F468 HydrophobicContact CD2-CE1 4.36Å; L284-F468 HydrophobicContact CG-CD1 3.98Å; I293-F468 HydrophobicContact CD1-CE1 4.19Å; I293-F468 HydrophobicContact CD1-CZ 4.38Å; I293-F468 HydrophobicContact CG1-CE1 4.07Å; F295-F468 HydrophobicContact CB-CE1 4.11Å; F295-F468 HydrophobicContact CB-CZ 3.93Å; F295-F468 HydrophobicContact CD1-CE1 4.04Å; F295-F468 AromaticContact CD1-CZ 3.64Å; F295-F468 HydrophobicContact CD1-CZ 3.64Å; F295-F468 HydrophobicContact CD2-CZ 4.4Å; F295-F468 HydrophobicContact CE1-CZ 4.26Å; F295-F468 HydrophobicContact CG-CE1 4.27Å; F295-F468 AromaticContact CG-CZ 3.74Å; F295-F468 HydrophobicContact CG-CZ 3.74Å; V463-F468 HydrophobicContact CB-CE2 4.39Å; V463-F468 HydrophobicContact CG1-CE2 4.35Å; V463-F468 HydrophobicContact CG1-CZ 4.26Å; R466-F468 HydrophobicContact CB-CD2 4.21Å; R466-F468 HydrophobicContact CB-CE2 3.73Å; R466-F468 WeakPolarHBondContact O-CD2 3.49Å; F468-F532 HydrophobicContact CB-CE1 4.44Å; F468-F532 HydrophobicContact CB-CZ 4.37Å; F468-F532 HydrophobicContact CD1-CZ 4.19Å; F468-F532 AromaticContact CD2-CE1 3.74Å; F468-F532 HydrophobicContact CD2-CE1 3.74Å; F468-F532 AromaticContact CD2-CZ 3.95Å; F468-F532 HydrophobicContact CD2-CZ 3.95Å; F468-F532 HydrophobicContact CE1-CZ 4.48Å; F468-F532 HydrophobicContact CE2-CE1 4.14Å; F468-F532 HydrophobicContact CE2-CZ 4.25Å; F468-F532 HydrophobicContact CG-CE1 4.09Å; F468-F532 AromaticContact CG-CZ 3.92Å; F468-F532 HydrophobicContact CG-CZ 3.92Å; F468-I538 WeakPolarHBondContact O-CA 3.47Å; F468-I538 WeakPolarHBondContact O-CG2 3.28Å; F468-G539 PolarHBondContact O-N 2.88Å
469	Y	98.1	Very high	96	Very high	20 Å²	20	31.7 Å²	31.7	8%	0.078	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.6	166.5	-65.9	2.6	0	0	0	110.6	L254 I281 G282 T283 L284 E467 F471 F491 G539 F541	L254-Y469 HydrophobicContact CD1-CD2 3.99Å; L254-Y469 HydrophobicContact CD2-CD2 4.11Å; L254-Y469 HydrophobicContact CD2-CG 4.36Å; I281-Y469 HydrophobicContact CD1-CD2 4.44Å; I281-Y469 HydrophobicContact CD1-CE2 3.9Å; I281-Y469 HydrophobicContact CG2-CD1 3.73Å; I281-Y469 HydrophobicContact CG2-CD2 4.11Å; I281-Y469 HydrophobicContact CG2-CE1 4.02Å; I281-Y469 HydrophobicContact CG2-CE2 4.42Å; I281-Y469 HydrophobicContact CG2-CG 3.72Å; G282-Y469 PolarHBondContact O-N 3.2Å; T283-Y469 WeakPolarHBondContact CA-O 3.46Å; L284-Y469 PolarHBondContact N-O 2.96Å; E467-Y469 HydrophobicContact CG-CE1 3.96Å; E467-Y469 VanDerWaalsContact OE1-CE1 3.22Å; E467-Y469 WeakPolarHBondContact OE1-CE1 3.26Å; E467-Y469 PolarHBondContact OE1-OH 3.34Å; Y469-F471 HydrophobicContact CD2-CZ 4.37Å; Y469-F471 HydrophobicContact CG-CZ 4.5Å; Y469-F471 WeakPolarHBondContact O-CE2 3.45Å; Y469-F491 AromaticContact CE1-CE1 3.83Å; Y469-F491 HydrophobicContact CE1-CE1 3.83Å; Y469-F491 HydrophobicContact CE1-CZ 4.09Å; Y469-G539 CarbonylContact C-O 3.56Å; Y469-G539 WeakPolarHBondContact CA-O 3.41Å; Y469-G539 WeakPolarHBondContact CB-O 3.47Å; Y469-F541 HydrophobicContact CD1-CE2 4.31Å; Y469-F541 AromaticContact CD2-CD2 3.66Å; Y469-F541 HydrophobicContact CD2-CD2 3.66Å; Y469-F541 HydrophobicContact CD2-CE2 4.07Å; Y469-F541 HydrophobicContact CE1-CE2 4.1Å; Y469-F541 AromaticContact CE2-CD2 3.71Å; Y469-F541 HydrophobicContact CE2-CD2 3.71Å; Y469-F541 AromaticContact CE2-CE2 3.76Å; Y469-F541 HydrophobicContact CE2-CE2 3.76Å; Y469-F541 HydrophobicContact CG-CD2 4.13Å; Y469-F541 HydrophobicContact CG-CE2 4.37Å; Y469-F541 AromaticContact CZ-CE2 3.83Å
470	A	98.2	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137	-178	0	0	0	0	0	111.6	L284 Y474 I538 G539 F540	L284-A470 HydrophobicContact CB-CB 4.03Å; L284-A470 HydrophobicContact CD1-CB 4.36Å; L284-A470 CarbonylContact O-C 3.44Å; L284-A470 VanDerWaalsContact O-CA 3.31Å; L284-A470 WeakPolarHBondContact O-CA 3.28Å; A470-Y474 HydrophobicContact CB-CD2 3.86Å; A470-Y474 HydrophobicContact CB-CG 3.84Å; A470-I538 HydrophobicContact CB-CG2 3.73Å; A470-G539 PolarHBondContact N-O 3.47Å; A470-F540 HydrophobicContact CB-CD1 3.95Å; A470-F540 HydrophobicContact CB-CE1 3.64Å; A470-F540 HydrophobicContact CB-CZ 4.08Å
471	F	96.7	Very high	96.2	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.022	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	176	-170.2	-58.1	-79.7	0	0	0	112.6	L250 L254 T283 L284 Y469 Y473 Y474 F541 I549	L250-F471 HydrophobicContact CD1-CD2 4.25Å; L250-F471 HydrophobicContact CD1-CG 4.47Å; L250-F471 HydrophobicContact CD2-CD2 3.88Å; L250-F471 HydrophobicContact CD2-CG 4.47Å; L250-F471 HydrophobicContact CG-CD2 4.36Å; L254-F471 HydrophobicContact CD1-CZ 3.91Å; L254-F471 HydrophobicContact CD2-CE2 4.01Å; L254-F471 HydrophobicContact CD2-CZ 3.85Å; L254-F471 HydrophobicContact CG-CZ 4.38Å; T283-F471 HydrophobicContact CG2-CE2 4.03Å; L284-F471 PolarHBondContact O-N 2.97Å; Y469-F471 HydrophobicContact CD2-CZ 4.37Å; Y469-F471 HydrophobicContact CG-CZ 4.5Å; Y469-F471 WeakPolarHBondContact O-CE2 3.45Å; F471-Y473 PolarHBondContact O-N 2.87Å; F471-Y474 WeakPolarHBondContact O-CB 3.27Å; F471-Y474 WeakPolarHBondContact O-CD2 3.31Å; F471-Y474 PolarHBondContact O-N 2.89Å; F471-F541 WeakPolarHBondContact CD1-O 2.97Å; F471-F541 WeakPolarHBondContact CE1-O 3.45Å; F471-I549 HydrophobicContact CD1-CB 3.9Å; F471-I549 HydrophobicContact CD1-CG2 3.8Å; F471-I549 HydrophobicContact CE1-CB 3.57Å; F471-I549 HydrophobicContact CE1-CG1 4.06Å; F471-I549 HydrophobicContact CE1-CG2 3.34Å; F471-I549 HydrophobicContact CE2-CG2 4.28Å; F471-I549 HydrophobicContact CG-CG2 4.45Å; F471-I549 HydrophobicContact CZ-CB 4.33Å; F471-I549 HydrophobicContact CZ-CG2 3.62Å
472	S	95	Very high	96.5	Very high	53 Å²	53	31.8 Å²	31.8	37%	0.371	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.4	-128.7	176	-54.4	0	0	0	0	111.7	D285 L286 Y474 F475 D476	D285-S472 WeakPolarHBondContact OD1-CB 3.07Å; D285-S472 PolarHBondContact OD1-OG 2.84Å; L286-S472 WeakPolarHBondContact O-CB 3.39Å; S472-Y474 PolarHBondContact O-N 3.26Å; S472-Y474 VanDerWaalsContact O-N 3.09Å; S472-F475 WeakPolarHBondContact O-CB 3.37Å; S472-F475 PolarHBondContact O-N 3.16Å; S472-D476 PolarHBondContact O-N 3.2Å
473	Y	97.3	Very high	96.7	Very high	47 Å²	47	34.2 Å²	34.2	18%	0.184	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-21.5	-174.7	-79.7	-62.7	0	0	0	114.5	T130 L286 L337 M338 F471 L477	T130-Y473 HydrophobicContact CG2-CE2 4.42Å; T130-Y473 WeakPolarHBondContact CG2-OH 3.4Å; T130-Y473 PolarHBondContact OG1-OH 2.81Å; L286-Y473 WeakPolarHBondContact O-CB 3.37Å; L286-Y473 VanDerWaalsContact O-CD2 3.29Å; L286-Y473 WeakPolarHBondContact O-CD2 3.12Å; L286-Y473 PolarHBondContact O-N 3.43Å; L337-Y473 HydrophobicContact CB-CD2 3.9Å; L337-Y473 HydrophobicContact CB-CG 3.97Å; L337-Y473 HydrophobicContact CD2-CD1 3.57Å; L337-Y473 HydrophobicContact CD2-CD2 4.35Å; L337-Y473 HydrophobicContact CD2-CE1 4.25Å; L337-Y473 HydrophobicContact CD2-CG 3.65Å; L337-Y473 HydrophobicContact CG-CG 4.45Å; M338-Y473 HydrophobicContact CE-CE1 4.03Å; M338-Y473 HydrophobicContact CE-CE2 4.26Å; F471-Y473 PolarHBondContact O-N 2.87Å; Y473-L477 VanDerWaalsContact O-CB 3.27Å; Y473-L477 WeakPolarHBondContact O-CB 3.32Å; Y473-L477 PolarHBondContact O-N 3Å
474	Y	98.1	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.9	-49.9	168.7	-75	-63.6	0	0	0	111.6	L284 L286 A470 F471 S472 A478 I522 L525 L526	L284-Y474 HydrophobicContact CB-CD2 4.34Å; L284-Y474 HydrophobicContact CB-CE2 3.85Å; L286-Y474 HydrophobicContact CB-CD2 3.43Å; L286-Y474 VanDerWaalsContact CB-CD2 3.43Å; L286-Y474 HydrophobicContact CB-CE2 3.38Å; L286-Y474 HydrophobicContact CB-CG 4.07Å; L286-Y474 HydrophobicContact CD2-CD1 4.28Å; L286-Y474 HydrophobicContact CD2-CD2 4.5Å; L286-Y474 HydrophobicContact CD2-CE1 4.19Å; L286-Y474 HydrophobicContact CD2-CE2 4.45Å; L286-Y474 HydrophobicContact CD2-CG 4.4Å; L286-Y474 HydrophobicContact CG-CE2 4.44Å; A470-Y474 HydrophobicContact CB-CD2 3.86Å; A470-Y474 HydrophobicContact CB-CG 3.84Å; F471-Y474 WeakPolarHBondContact O-CB 3.27Å; F471-Y474 WeakPolarHBondContact O-CD2 3.31Å; F471-Y474 PolarHBondContact O-N 2.89Å; S472-Y474 PolarHBondContact O-N 3.26Å; S472-Y474 VanDerWaalsContact O-N 3.09Å; Y474-A478 WeakPolarHBondContact O-CB 3.17Å; Y474-A478 PolarHBondContact O-N 3.32Å; Y474-I522 HydrophobicContact CD1-CD1 3.87Å; Y474-I522 HydrophobicContact CD1-CG1 4.26Å; Y474-I522 HydrophobicContact CD1-CG2 3.79Å; Y474-I522 HydrophobicContact CE1-CD1 4.37Å; Y474-I522 HydrophobicContact CE1-CG1 4.27Å; Y474-I522 HydrophobicContact CE1-CG2 3.86Å; Y474-L525 WeakPolarHBondContact OH-CD2 3.3Å; Y474-L526 HydrophobicContact CE1-CD1 4.31Å; Y474-L526 HydrophobicContact CE1-CD2 3.8Å; Y474-L526 HydrophobicContact CE1-CG 4.01Å
475	F	97.7	Very high	97	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-69.2	-48.3	-180	177.3	-89.1	0	0	0	111.1	S472 L477 A478 V479 I484 E486 F540 R542	S472-F475 WeakPolarHBondContact O-CB 3.37Å; S472-F475 PolarHBondContact O-N 3.16Å; F475-L477 VanDerWaalsContact C-N 3.33Å; F475-L477 PolarHBondContact O-N 2.92Å; F475-A478 PolarHBondContact O-N 3.4Å; F475-V479 HydrophobicContact CD1-CG2 4.1Å; F475-V479 HydrophobicContact CE1-CG2 3.52Å; F475-V479 HydrophobicContact CE2-CG2 4.11Å; F475-V479 HydrophobicContact CZ-CG2 3.52Å; F475-V479 WeakPolarHBondContact O-CG2 3.26Å; F475-V479 PolarHBondContact O-N 3.31Å; F475-I484 HydrophobicContact CD2-CD1 3.79Å; F475-I484 HydrophobicContact CE2-CD1 3.78Å; F475-E486 WeakPolarHBondContact CZ-O 3.39Å; F475-F540 HydrophobicContact CD2-CB 4.17Å; F475-R542 HydrophobicContact CD1-CB 4.42Å; F475-R542 HydrophobicContact CE1-CB 3.81Å; F475-R542 HydrophobicContact CE1-CG 4.48Å; F475-R542 HydrophobicContact CE2-CB 4.09Å; F475-R542 HydrophobicContact CZ-CB 3.63Å
476	D	96.6	Very high	97.1	Very high	69 Å²	69	36 Å²	36	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-60	-43.8	-177.5	-68	-23.6	0	0	0	111.2	S472 S480 R542	S472-D476 PolarHBondContact O-N 3.2Å; D476-S480 WeakPolarHBondContact O-CB 3.33Å; D476-S480 PolarHBondContact O-N 3.36Å; D476-S480 PolarHBondContact O-OG 3.48Å; D476-R542 IonicContact OD1-NH2 3.54Å
477	L	98	Very high	97.1	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-48.3	177.2	-175	66.2	0	0	0	110.7	Y473 F475 V479 S480 V481 D518 L519 I522	Y473-L477 VanDerWaalsContact O-CB 3.27Å; Y473-L477 WeakPolarHBondContact O-CB 3.32Å; Y473-L477 PolarHBondContact O-N 3Å; F475-L477 VanDerWaalsContact C-N 3.33Å; F475-L477 PolarHBondContact O-N 2.92Å; L477-V479 VanDerWaalsContact C-N 3.35Å; L477-V479 PolarHBondContact O-N 2.9Å; L477-S480 WeakPolarHBondContact CA-OG 3.33Å; L477-S480 PolarHBondContact O-N 3.42Å; L477-S480 PolarHBondContact O-OG 3.11Å; L477-V481 HydrophobicContact CD1-CG1 3.99Å; L477-V481 HydrophobicContact CG-CG1 4.47Å; L477-V481 VanDerWaalsContact O-CG2 3.29Å; L477-V481 WeakPolarHBondContact O-CG2 3.47Å; L477-V481 PolarHBondContact O-N 2.99Å; L477-D518 HydrophobicContact CD1-CB 3.9Å; L477-D518 HydrophobicContact CD2-CB 3.73Å; L477-D518 HydrophobicContact CG-CB 4.47Å; L477-L519 HydrophobicContact CD1-CG 4.49Å; L477-L519 HydrophobicContact CD2-CB 4.48Å; L477-L519 HydrophobicContact CD2-CD2 3.66Å; L477-L519 HydrophobicContact CD2-CG 3.86Å; L477-L519 HydrophobicContact CG-CD2 4.08Å; L477-L519 HydrophobicContact CG-CG 4.37Å; L477-I522 HydrophobicContact CB-CD1 4.21Å; L477-I522 HydrophobicContact CD2-CD1 3.56Å; L477-I522 HydrophobicContact CD2-CG1 4.26Å
478	A	98.4	Very high	97	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-42.2	-178.7	0	0	0	0	0	113.1	Y474 F475 G482 L483 I484 L492 F497	Y474-A478 WeakPolarHBondContact O-CB 3.17Å; Y474-A478 PolarHBondContact O-N 3.32Å; F475-A478 PolarHBondContact O-N 3.4Å; A478-G482 PolarHBondContact O-N 3.35Å; A478-L483 HydrophobicContact CB-CB 4.42Å; A478-L483 PolarHBondContact O-N 3.42Å; A478-I484 HydrophobicContact CB-CD1 3.71Å; A478-I484 HydrophobicContact CB-CG1 3.77Å; A478-I484 PolarHBondContact O-N 3.09Å; A478-L492 HydrophobicContact CB-CD1 3.84Å; A478-F497 HydrophobicContact CB-CE1 4.18Å; A478-F497 HydrophobicContact CB-CZ 3.93Å
479	V	98.1	Very high	96.9	Very high	39 Å²	39	42.9 Å²	42.9	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-48.8	172.2	170.5	0	0	0	0	110.2	F475 L477 V481 G482 I484 E486	F475-V479 HydrophobicContact CD1-CG2 4.1Å; F475-V479 HydrophobicContact CE1-CG2 3.52Å; F475-V479 HydrophobicContact CE2-CG2 4.11Å; F475-V479 HydrophobicContact CZ-CG2 3.52Å; F475-V479 WeakPolarHBondContact O-CG2 3.26Å; F475-V479 PolarHBondContact O-N 3.31Å; L477-V479 VanDerWaalsContact C-N 3.35Å; L477-V479 PolarHBondContact O-N 2.9Å; V479-V481 VanDerWaalsContact C-N 3.27Å; V479-V481 PolarHBondContact O-N 3.01Å; V479-G482 PolarHBondContact O-N 2.9Å; V479-I484 HydrophobicContact CG2-CD1 4.13Å; V479-I484 HydrophobicContact CG2-CG1 3.85Å; V479-E486 HydrophobicContact CG1-CB 3.98Å; V479-E486 HydrophobicContact CG2-CB 4.34Å
480	S	96.8	Very high	96.8	Very high	42 Å²	42	42.9 Å²	42.9	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-27.9	-170.3	81.5	0	0	0	0	113.4	D476 L477 R512	D476-S480 WeakPolarHBondContact O-CB 3.33Å; D476-S480 PolarHBondContact O-N 3.36Å; D476-S480 PolarHBondContact O-OG 3.48Å; L477-S480 WeakPolarHBondContact CA-OG 3.33Å; L477-S480 PolarHBondContact O-N 3.42Å; L477-S480 PolarHBondContact O-OG 3.11Å; S480-R512 PolarHBondContact O-NH1 3.41Å; S480-R512 PolarHBondContact OG-NH2 3.36Å
481	V	97.1	Very high	96.8	Very high	32 Å²	32	48 Å²	48	19%	0.194	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.7	175.2	-58.1	0	0	0	0	112.9	L477 V479 L483 I504 D515 L519	L477-V481 HydrophobicContact CD1-CG1 3.99Å; L477-V481 HydrophobicContact CG-CG1 4.47Å; L477-V481 VanDerWaalsContact O-CG2 3.29Å; L477-V481 WeakPolarHBondContact O-CG2 3.47Å; L477-V481 PolarHBondContact O-N 2.99Å; V479-V481 VanDerWaalsContact C-N 3.27Å; V479-V481 PolarHBondContact O-N 3.01Å; V481-L483 HydrophobicContact CG2-CD1 3.88Å; V481-L483 HydrophobicContact CG2-CG 3.81Å; V481-I504 HydrophobicContact CB-CD1 4.02Å; V481-I504 HydrophobicContact CG1-CD1 3.88Å; V481-D515 HydrophobicContact CG1-CB 4.44Å; V481-L519 HydrophobicContact CG1-CD1 4.12Å; V481-L519 HydrophobicContact CG2-CD2 4.17Å
482	G	97.5	Very high	96.9	Very high	64 Å²	64	48.4 Å²	48.4	66%	0.66	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	19.4	173.4	0	0	0	0	0	115.5	A478 V479	A478-G482 PolarHBondContact O-N 3.35Å; V479-G482 PolarHBondContact O-N 2.9Å
483	L	98.3	Very high	97.1	Very high	52 Å²	52	47 Å²	47	27%	0.272	27%	0.272	S	S	.	.	S	Bend	trans	-76.4	-29.9	176.1	-69	176	0	0	0	112.5	A478 V481 L492 F497 A500	A478-L483 HydrophobicContact CB-CB 4.42Å; A478-L483 PolarHBondContact O-N 3.42Å; V481-L483 HydrophobicContact CG2-CD1 3.88Å; V481-L483 HydrophobicContact CG2-CG 3.81Å; L483-L492 HydrophobicContact CB-CD1 3.71Å; L483-L492 HydrophobicContact CB-CD2 4.05Å; L483-L492 HydrophobicContact CD1-CD1 4.11Å; L483-F497 HydrophobicContact CD1-CD1 4.26Å; L483-F497 HydrophobicContact CD1-CE1 4.33Å; L483-F497 HydrophobicContact CD1-CG 4.47Å; L483-A500 HydrophobicContact CD1-CB 4.1Å; L483-A500 HydrophobicContact CD2-CB 4.27Å; L483-A500 HydrophobicContact CG-CB 4.46Å
484	I	98.1	Very high	97	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.097	26%	0.264	C	S	.	.	S	Bend	trans	-140.8	160.6	177.5	57.2	178.5	0	0	0	110.9	F475 A478 V479 L492 F540	F475-I484 HydrophobicContact CD2-CD1 3.79Å; F475-I484 HydrophobicContact CE2-CD1 3.78Å; A478-I484 HydrophobicContact CB-CD1 3.71Å; A478-I484 HydrophobicContact CB-CG1 3.77Å; A478-I484 PolarHBondContact O-N 3.09Å; V479-I484 HydrophobicContact CG2-CD1 4.13Å; V479-I484 HydrophobicContact CG2-CG1 3.85Å; I484-L492 HydrophobicContact CG2-CD1 3.84Å; I484-L492 HydrophobicContact CG2-CD2 3.88Å; I484-L492 HydrophobicContact CG2-CG 3.77Å; I484-F540 HydrophobicContact CD1-CB 3.51Å; I484-F540 HydrophobicContact CD1-CG 4.37Å
485	H	96.6	Very high	96.9	Very high	115 Å²	115	47.1 Å²	47.1	53%	0.532	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-89.9	140.1	174.1	-178.9	-89.6	0	0	0	111.2	T487 T488 G489	H485-T487 VanDerWaalsContact C-N 3.35Å; H485-T487 PolarHBondContact CE1-OG1 3.18Å; H485-T487 PolarHBondContact ND1-N 3.26Å; H485-T487 PolarHBondContact O-N 3.25Å; H485-T488 WeakPolarHBondContact CB-OG1 3.33Å; H485-T488 PolarHBondContact O-N 2.75Å; H485-G489 WeakPolarHBondContact O-CA 3.42Å; H485-G489 PolarHBondContact O-N 3.14Å
486	E	94.8	Very high	97	Very high	101 Å²	101	49.3 Å²	49.3	47%	0.472	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-42.1	-173.3	-174.1	176.1	-168.8	0	0	113.6	F475 V479 R542	F475-E486 WeakPolarHBondContact CZ-O 3.39Å; V479-E486 HydrophobicContact CG1-CB 3.98Å; V479-E486 HydrophobicContact CG2-CB 4.34Å; E486-R542 IonicContact OE1-CZ 3.77Å; E486-R542 IonicContact OE1-NE 2.64Å; E486-R542 IonicContact OE1-NH2 3.57Å
487	T	92.7	Very high	97	Very high	121 Å²	121	46 Å²	46	74%	0.742	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-39.4	-175.7	-50.8	0	0	0	0	112.9	H485	H485-T487 VanDerWaalsContact C-N 3.35Å; H485-T487 PolarHBondContact CE1-OG1 3.18Å; H485-T487 PolarHBondContact ND1-N 3.26Å; H485-T487 PolarHBondContact O-N 3.25Å
488	T	94.2	Very high	96.8	Very high	98 Å²	98	46.4 Å²	46.4	60%	0.601	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-20.3	-171.2	54.8	0	0	0	0	112.3	H485	H485-T488 WeakPolarHBondContact CB-OG1 3.33Å; H485-T488 PolarHBondContact O-N 2.75Å
489	G	96.1	Very high	96.6	Very high	10 Å²	10	49.2 Å²	49.2	10%	0.103	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	60	-148.7	-170.3	0	0	0	0	0	111.7	H485 F540	H485-G489 WeakPolarHBondContact O-CA 3.42Å; H485-G489 PolarHBondContact O-N 3.14Å; G489-F540 CarbonylContact C-O 3.52Å; G489-F540 WeakPolarHBondContact CA-O 3.47Å
490	G	97.1	Very high	96.5	Very high	20 Å²	20	47.7 Å²	47.7	21%	0.206	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-179	174.2	0	0	0	0	0	113.3	F540	G490-F540 PolarHBondContact N-O 3.13Å; G490-F540 PolarHBondContact O-N 2.69Å
491	F	98.4	Very high	96.4	Very high	109 Å²	109	46.1 Å²	46.1	48%	0.478	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.8	169.3	-71.5	-89	0	0	0	109.1	Y469 I538 F541	Y469-F491 AromaticContact CE1-CE1 3.83Å; Y469-F491 HydrophobicContact CE1-CE1 3.83Å; Y469-F491 HydrophobicContact CE1-CZ 4.09Å; F491-I538 VanDerWaalsContact CA-O 3.3Å; F491-I538 WeakPolarHBondContact CA-O 3.43Å; F491-F541 HydrophobicContact CD2-CZ 4.15Å; F491-F541 HydrophobicContact CE1-CE2 4.39Å; F491-F541 HydrophobicContact CE2-CE2 4.23Å; F491-F541 AromaticContact CE2-CZ 3.67Å; F491-F541 HydrophobicContact CE2-CZ 3.67Å; F491-F541 HydrophobicContact CZ-CE2 4Å; F491-F541 AromaticContact CZ-CZ 3.92Å; F491-F541 HydrophobicContact CZ-CZ 3.92Å
492	L	98.6	Very high	96.1	Very high	13 Å²	13	46.2 Å²	46.2	7%	0.068	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.6	175.3	-61	173.6	0	0	0	109.9	A478 L483 I484 D496 F497 K537 I538 F540	A478-L492 HydrophobicContact CB-CD1 3.84Å; L483-L492 HydrophobicContact CB-CD1 3.71Å; L483-L492 HydrophobicContact CB-CD2 4.05Å; L483-L492 HydrophobicContact CD1-CD1 4.11Å; I484-L492 HydrophobicContact CG2-CD1 3.84Å; I484-L492 HydrophobicContact CG2-CD2 3.88Å; I484-L492 HydrophobicContact CG2-CG 3.77Å; L492-D496 HydrophobicContact CB-CB 4.4Å; L492-D496 HydrophobicContact CD2-CB 4.3Å; L492-F497 HydrophobicContact CB-CE2 4Å; L492-F497 HydrophobicContact CD1-CE2 3.69Å; L492-F497 HydrophobicContact CD1-CZ 3.82Å; L492-K537 WeakPolarHBondContact O-CA 3.12Å; L492-I538 PolarHBondContact N-O 3.4Å; L492-I538 PolarHBondContact O-N 3.01Å; L492-F540 HydrophobicContact CB-CD2 3.96Å; L492-F540 HydrophobicContact CB-CE2 3.65Å; L492-F540 HydrophobicContact CB-CZ 4.45Å; L492-F540 HydrophobicContact CD1-CD2 4.14Å; L492-F540 HydrophobicContact CD1-CE2 4.25Å; L492-F540 HydrophobicContact CD1-CG 4.48Å; L492-F540 HydrophobicContact CG-CD2 4.11Å; L492-F540 HydrophobicContact CG-CE2 4.26Å
493	T	98.2	Very high	95.9	Very high	24 Å²	24	50.1 Å²	50.1	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	161.4	169.8	65.9	0	0	0	0	111.1	N495 D496 A534 K536 K537	T493-N495 PolarHBondContact O-N 3.36Å; T493-D496 WeakPolarHBondContact CB-OD2 3.27Å; T493-D496 PolarHBondContact N-OD2 2.92Å; T493-D496 WeakPolarHBondContact O-CB 3.47Å; T493-D496 PolarHBondContact O-N 2.73Å; T493-D496 VanDerWaalsContact O-N 3.14Å; T493-D496 PolarHBondContact OG1-N 3.26Å; T493-D496 PolarHBondContact OG1-OD2 3.41Å; T493-A534 WeakPolarHBondContact CB-O 3.46Å; T493-K536 VanDerWaalsContact CA-O 3.29Å; T493-K536 WeakPolarHBondContact CA-O 3.5Å; T493-K537 HydrophobicContact CG2-CG 3.96Å
494	V	95.8	Very high	95.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-36	170.2	176.8	0	0	0	0	110.6	D496 F497 Q498 L526 H527 F532 P533 A534 I538	V494-D496 VanDerWaalsContact C-N 3.28Å; V494-D496 PolarHBondContact O-N 3.32Å; V494-F497 PolarHBondContact O-N 3.37Å; V494-Q498 PolarHBondContact O-N 2.83Å; V494-Q498 VanDerWaalsContact O-N 3.11Å; V494-L526 HydrophobicContact CG1-CB 4.4Å; V494-L526 HydrophobicContact CG2-CB 4.08Å; V494-H527 HydrophobicContact CG1-CB 3.82Å; V494-F532 HydrophobicContact CG2-CB 3.75Å; V494-P533 WeakPolarHBondContact CG2-O 3.45Å; V494-A534 PolarHBondContact N-O 3.37Å; V494-I538 HydrophobicContact CG2-CD1 4.5Å
495	N	96.5	Very high	95.5	Very high	47 Å²	47	48.6 Å²	48.6	25%	0.251	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-30.7	176.1	-164.3	81.9	0	0	0	113.2	T493 Q498 N499 A534	T493-N495 PolarHBondContact O-N 3.36Å; N495-Q498 PolarHBondContact O-N 3.41Å; N495-N499 PolarHBondContact ND2-ND2 3.2Å; N495-N499 WeakPolarHBondContact O-CB 3.46Å; N495-N499 VanDerWaalsContact O-CG 3.22Å; N495-N499 PolarHBondContact O-N 3.46Å; N495-N499 PolarHBondContact O-ND2 3.21Å; N495-A534 HydrophobicContact CB-CB 4.47Å; N495-A534 WeakPolarHBondContact CB-O 3.39Å; N495-A534 PolarHBondContact N-O 3.46Å
496	D	98.2	Very high	95.2	Very high	52 Å²	52	49.1 Å²	49.1	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-65.5	-41.3	176.4	-62.9	-44.8	0	0	0	111.5	L492 T493 V494 A500	L492-D496 HydrophobicContact CB-CB 4.4Å; L492-D496 HydrophobicContact CD2-CB 4.3Å; T493-D496 WeakPolarHBondContact CB-OD2 3.27Å; T493-D496 PolarHBondContact N-OD2 2.92Å; T493-D496 WeakPolarHBondContact O-CB 3.47Å; T493-D496 PolarHBondContact O-N 2.73Å; T493-D496 VanDerWaalsContact O-N 3.14Å; T493-D496 PolarHBondContact OG1-N 3.26Å; T493-D496 PolarHBondContact OG1-OD2 3.41Å; V494-D496 VanDerWaalsContact C-N 3.28Å; V494-D496 PolarHBondContact O-N 3.32Å; D496-A500 WeakPolarHBondContact O-CB 3.29Å; D496-A500 PolarHBondContact O-N 3.22Å
497	F	97	Very high	94.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-38.7	173.5	-75.4	-89.2	0	0	0	111.9	A478 L483 L492 V494 A500 A501 L519 I522 T523 L526 F540	A478-F497 HydrophobicContact CB-CE1 4.18Å; A478-F497 HydrophobicContact CB-CZ 3.93Å; L483-F497 HydrophobicContact CD1-CD1 4.26Å; L483-F497 HydrophobicContact CD1-CE1 4.33Å; L483-F497 HydrophobicContact CD1-CG 4.47Å; L492-F497 HydrophobicContact CB-CE2 4Å; L492-F497 HydrophobicContact CD1-CE2 3.69Å; L492-F497 HydrophobicContact CD1-CZ 3.82Å; V494-F497 PolarHBondContact O-N 3.37Å; F497-A500 PolarHBondContact O-N 3.41Å; F497-A501 WeakPolarHBondContact O-CB 3.45Å; F497-A501 PolarHBondContact O-N 3.35Å; F497-L519 HydrophobicContact CD1-CD2 3.91Å; F497-I522 HydrophobicContact CD1-CG2 3.67Å; F497-I522 HydrophobicContact CE1-CG2 3.89Å; F497-I522 HydrophobicContact CG-CG2 4.14Å; F497-T523 WeakPolarHBondContact CB-OG1 3.39Å; F497-T523 PolarHBondContact O-OG1 3.43Å; F497-L526 HydrophobicContact CD2-CD1 4.41Å; F497-F540 AromaticContact CE2-CE1 3.75Å; F497-F540 HydrophobicContact CE2-CE1 3.75Å; F497-F540 AromaticContact CE2-CE2 3.98Å; F497-F540 HydrophobicContact CE2-CE2 3.98Å; F497-F540 AromaticContact CE2-CZ 3.33Å; F497-F540 HydrophobicContact CE2-CZ 3.33Å; F497-F540 HydrophobicContact CZ-CD1 4.27Å; F497-F540 AromaticContact CZ-CE1 3.46Å; F497-F540 HydrophobicContact CZ-CE1 3.46Å; F497-F540 VanDerWaalsContact CZ-CE1 3.46Å; F497-F540 HydrophobicContact CZ-CE2 4.43Å; F497-F540 AromaticContact CZ-CZ 3.6Å; F497-F540 HydrophobicContact CZ-CZ 3.6Å
498	Q	94.1	Very high	94.9	Very high	15 Å²	15	45.7 Å²	45.7	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-49.3	175.8	-176.4	177.9	-19.9	0	0	111.9	V494 N495 A500 A501 E502 T523	V494-Q498 PolarHBondContact O-N 2.83Å; V494-Q498 VanDerWaalsContact O-N 3.11Å; N495-Q498 PolarHBondContact O-N 3.41Å; Q498-A500 VanDerWaalsContact C-N 3.3Å; Q498-A500 PolarHBondContact O-N 3.47Å; Q498-A501 WeakPolarHBondContact O-CB 3.21Å; Q498-A501 PolarHBondContact O-N 2.83Å; Q498-A501 VanDerWaalsContact O-N 3.09Å; Q498-E502 PolarHBondContact NE2-OE1 3.21Å; Q498-E502 WeakPolarHBondContact O-CG 3.17Å; Q498-E502 PolarHBondContact O-N 3.06Å; Q498-T523 HydrophobicContact CB-CG2 3.75Å; Q498-T523 HydrophobicContact CG-CG2 4.27Å; Q498-T523 PolarHBondContact N-OG1 2.89Å
499	N	94.6	Very high	94.8	Very high	59 Å²	59	43.8 Å²	43.8	32%	0.316	22%	0.224	S	C	.	.	H	α-helix	trans	-58.3	-44.1	177.8	-73.5	-18	0	0	0	111.2	N495 A501 E502 Q503	N495-N499 PolarHBondContact ND2-ND2 3.2Å; N495-N499 WeakPolarHBondContact O-CB 3.46Å; N495-N499 VanDerWaalsContact O-CG 3.22Å; N495-N499 PolarHBondContact O-N 3.46Å; N495-N499 PolarHBondContact O-ND2 3.21Å; N499-A501 VanDerWaalsContact C-N 3.35Å; N499-E502 PolarHBondContact O-N 3.23Å; N499-Q503 WeakPolarHBondContact O-CB 3.36Å; N499-Q503 PolarHBondContact O-N 2.82Å
500	A	95.8	Very high	94.8	Very high	8 Å²	8	46.2 Å²	46.2	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-42.6	175.1	0	0	0	0	0	111.7	L483 D496 F497 Q498 Q503 I504 L519	L483-A500 HydrophobicContact CD1-CB 4.1Å; L483-A500 HydrophobicContact CD2-CB 4.27Å; L483-A500 HydrophobicContact CG-CB 4.46Å; D496-A500 WeakPolarHBondContact O-CB 3.29Å; D496-A500 PolarHBondContact O-N 3.22Å; F497-A500 PolarHBondContact O-N 3.41Å; Q498-A500 VanDerWaalsContact C-N 3.3Å; Q498-A500 PolarHBondContact O-N 3.47Å; A500-Q503 PolarHBondContact O-N 3.23Å; A500-I504 WeakPolarHBondContact O-CB 3.3Å; A500-I504 WeakPolarHBondContact O-CG1 3.38Å; A500-I504 PolarHBondContact O-N 3.06Å; A500-L519 HydrophobicContact CB-CD1 4.01Å; A500-L519 HydrophobicContact CB-CD2 4.11Å
501	A	94.9	Very high	94.7	Very high	8 Å²	8	52.8 Å²	52.8	7%	0.066	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-50.1	176	0	0	0	0	0	110.6	F497 Q498 N499 Q503 I504 C505 L519	F497-A501 WeakPolarHBondContact O-CB 3.45Å; F497-A501 PolarHBondContact O-N 3.35Å; Q498-A501 WeakPolarHBondContact O-CB 3.21Å; Q498-A501 PolarHBondContact O-N 2.83Å; Q498-A501 VanDerWaalsContact O-N 3.09Å; N499-A501 VanDerWaalsContact C-N 3.35Å; A501-Q503 VanDerWaalsContact C-N 3.32Å; A501-Q503 PolarHBondContact O-N 3.19Å; A501-I504 PolarHBondContact O-N 2.99Å; A501-C505 WeakPolarHBondContact O-CB 3.48Å; A501-C505 PolarHBondContact O-N 3.02Å; A501-C505 PolarHBondContact O-SG 3.05Å; A501-L519 HydrophobicContact CB-CB 3.7Å
502	E	91.6	Very high	94.6	Very high	35 Å²	35	51.8 Å²	51.8	16%	0.164	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-42.3	-179.7	-72.3	179.1	-165.6	0	0	112.1	S426 Q498 N499 R506	S426-E502 PolarHBondContact OG-O 2.73Å; Q498-E502 PolarHBondContact NE2-OE1 3.21Å; Q498-E502 WeakPolarHBondContact O-CG 3.17Å; Q498-E502 PolarHBondContact O-N 3.06Å; N499-E502 PolarHBondContact O-N 3.23Å; E502-R506 WeakPolarHBondContact O-CD 3.3Å; E502-R506 VanDerWaalsContact O-CG 3.26Å; E502-R506 WeakPolarHBondContact O-CG 3.25Å; E502-R506 PolarHBondContact O-N 2.81Å
503	Q	92.6	Very high	94.5	Very high	146 Å²	146	52 Å²	52	68%	0.682	26%	0.258	S	S	*	.	H	α-helix	trans	-66.7	-50.3	177.7	-176.7	179.4	-2.8	0	0	112.1	N499 A500 A501 R506	N499-Q503 WeakPolarHBondContact O-CB 3.36Å; N499-Q503 PolarHBondContact O-N 2.82Å; A500-Q503 PolarHBondContact O-N 3.23Å; A501-Q503 VanDerWaalsContact C-N 3.32Å; A501-Q503 PolarHBondContact O-N 3.19Å; Q503-R506 PolarHBondContact O-N 3Å
504	I	94.2	Very high	94.4	Very high	34 Å²	34	51.7 Å²	51.7	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-71.7	-36.5	-175.7	-73.1	165	0	0	0	111.2	V481 A500 A501 R506 N507 P508 D515 C516 L519	V481-I504 HydrophobicContact CB-CD1 4.02Å; V481-I504 HydrophobicContact CG1-CD1 3.88Å; A500-I504 WeakPolarHBondContact O-CB 3.3Å; A500-I504 WeakPolarHBondContact O-CG1 3.38Å; A500-I504 PolarHBondContact O-N 3.06Å; A501-I504 PolarHBondContact O-N 2.99Å; I504-R506 VanDerWaalsContact C-N 3.31Å; I504-R506 PolarHBondContact O-N 3.39Å; I504-N507 CarbonylContact O-C 3.07Å; I504-N507 PolarHBondContact O-N 3.24Å; I504-P508 VanDerWaalsContact O-CA 3.25Å; I504-P508 WeakPolarHBondContact O-CA 3.39Å; I504-D515 HydrophobicContact CG2-CB 3.96Å; I504-C516 HydrophobicContact CG2-CB 4.09Å; I504-L519 HydrophobicContact CB-CD1 4.22Å; I504-L519 HydrophobicContact CD1-CD1 3.42Å; I504-L519 VanDerWaalsContact CD1-CD1 3.42Å; I504-L519 HydrophobicContact CG1-CD1 4.35Å
505	C	92.8	Very high	94.5	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-69.4	-25.5	179.2	-67.7	0	0	0	0	113.8	A501 P508 C516	A501-C505 WeakPolarHBondContact O-CB 3.48Å; A501-C505 PolarHBondContact O-N 3.02Å; A501-C505 PolarHBondContact O-SG 3.05Å; C505-P508 WeakPolarHBondContact O-CD 3.34Å; C505-P508 WeakPolarHBondContact O-CG 3.36Å; C505-C516 WeakPolarHBondContact CA-SG 3.17Å; C505-C516 HydrophobicContact CB-CB 4.05Å; C505-C516 WeakPolarHBondContact CB-SG 3.49Å; C505-C516 VanDerWaalsContact SG-CA 3.54Å; C505-C516 WeakPolarHBondContact SG-CB 3.36Å; C505-C516 CovalentContact SG-SG 2.02Å; C505-C516 PolarHBondContact SG-SG 3.38Å
506	R	90.2	Very high	94.5	Very high	126 Å²	126	50.1 Å²	50.1	48%	0.475	25%	0.247	S	C	.	.	H	α-helix	trans	-66.8	-37.4	172.7	-78.3	171.9	-179.7	163.5	6.2	112.3	N423 E502 Q503 I504	N423-R506 PolarHBondContact OD1-NH2 3.26Å; E502-R506 WeakPolarHBondContact O-CD 3.3Å; E502-R506 VanDerWaalsContact O-CG 3.26Å; E502-R506 WeakPolarHBondContact O-CG 3.25Å; E502-R506 PolarHBondContact O-N 2.81Å; Q503-R506 PolarHBondContact O-N 3Å; I504-R506 VanDerWaalsContact C-N 3.31Å; I504-R506 PolarHBondContact O-N 3.39Å
507	N	89.8	Confident	94.5	Very high	137 Å²	137	47.6 Å²	47.6	73%	0.733	23%	0.234	S	C	*	.	S	Bend	trans	-136	77.7	175.7	-172.5	30	0	0	0	111.3	I504 N509	I504-N507 CarbonylContact O-C 3.07Å; I504-N507 PolarHBondContact O-N 3.24Å; N507-N509 PolarHBondContact O-N 3.47Å
508	P	92.1	Very high	94.5	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.091	24%	0.235	C	C	.	.			trans	-62.1	132	-174.8	-24.8	35.6	0	0	0	112.2	P368 I504 C505 P510	P368-P508 HydrophobicContact CB-CB 4.12Å; P368-P508 HydrophobicContact CG-CB 3.73Å; I504-P508 VanDerWaalsContact O-CA 3.25Å; I504-P508 WeakPolarHBondContact O-CA 3.39Å; C505-P508 WeakPolarHBondContact O-CD 3.34Å; C505-P508 WeakPolarHBondContact O-CG 3.36Å; P508-P510 VanDerWaalsContact O-CD 3.3Å; P508-P510 WeakPolarHBondContact O-CD 3.47Å
509	N	93.1	Very high	94.7	Very high	57 Å²	57	47.1 Å²	47.1	31%	0.305	23%	0.231	S	C	.	.			trans	-71.8	118.1	-178	-177.8	-17.4	0	0	0	111.6	P368 N507 Q511 R512 P513	P368-N509 WeakPolarHBondContact CG-O 3.38Å; N507-N509 PolarHBondContact O-N 3.47Å; N509-Q511 VanDerWaalsContact C-N 3.28Å; N509-Q511 PolarHBondContact O-N 3.15Å; N509-Q511 WeakPolarHBondContact OD1-CB 3.42Å; N509-Q511 PolarHBondContact OD1-N 3.14Å; N509-Q511 PolarHBondContact OD1-OE1 3.37Å; N509-R512 HydrophobicContact CB-CB 4.28Å; N509-R512 CarbonylContact O-C 3.11Å; N509-R512 PolarHBondContact O-N 3.34Å; N509-P513 WeakPolarHBondContact O-CA 3.47Å
510	P	94.7	Very high	94.8	Very high	62 Å²	62	44.4 Å²	44.4	40%	0.403	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.8	176.9	-30.9	40.3	0	0	0	115.3	P368 V371 P508 R512	P368-P510 HydrophobicContact CB-CG 4.37Å; V371-P510 HydrophobicContact CG2-CB 3.56Å; V371-P510 HydrophobicContact CG2-CG 4.25Å; P508-P510 VanDerWaalsContact O-CD 3.3Å; P508-P510 WeakPolarHBondContact O-CD 3.47Å; P510-R512 VanDerWaalsContact C-N 3.28Å
511	Q	95.2	Very high	94.9	Very high	157 Å²	157	44 Å²	44	73%	0.734	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-19.8	179.5	-69	73.8	22.2	0	0	112.1	N509	N509-Q511 VanDerWaalsContact C-N 3.28Å; N509-Q511 PolarHBondContact O-N 3.15Å; N509-Q511 WeakPolarHBondContact OD1-CB 3.42Å; N509-Q511 PolarHBondContact OD1-N 3.14Å; N509-Q511 PolarHBondContact OD1-OE1 3.37Å
512	R	95.9	Very high	95	Very high	89 Å²	89	43.7 Å²	43.7	34%	0.336	21%	0.211	S	C	.	.	S	Bend	trans	-134.4	63.3	-177.8	-60.4	179.5	50.7	135.2	10.9	110.5	S480 N509 P510 F514 D515	S480-R512 PolarHBondContact O-NH1 3.41Å; S480-R512 PolarHBondContact OG-NH2 3.36Å; N509-R512 HydrophobicContact CB-CB 4.28Å; N509-R512 CarbonylContact O-C 3.11Å; N509-R512 PolarHBondContact O-N 3.34Å; P510-R512 VanDerWaalsContact C-N 3.28Å; R512-F514 PolarHBondContact O-N 2Å; R512-D515 WeakPolarHBondContact CB-OD2 3.45Å; R512-D515 IonicContact CZ-OD1 3.59Å; R512-D515 IonicContact CZ-OD2 3.36Å; R512-D515 IonicContact NE-OD1 3.39Å; R512-D515 PolarHBondContact NE-OD1 2.02Å; R512-D515 IonicContact NE-OD2 2.73Å; R512-D515 PolarHBondContact NE-OD2 3.1Å; R512-D515 IonicContact NH2-OD1 2.82Å; R512-D515 PolarHBondContact NH2-OD1 3.07Å; R512-D515 IonicContact NH2-OD2 3.23Å; R512-D515 PolarHBondContact NH2-OD2 2.82Å; R512-D515 PolarHBondContact O-N 2.91Å
513	P	97	Very high	95.3	Very high	16 Å²	16	42 Å²	42	10%	0.104	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.9	-163.7	28.7	-37.6	0	0	0	114.5	W367 P368 I373 N509	W367-P513 HydrophobicContact CD2-CB 4.18Å; W367-P513 HydrophobicContact CE3-CB 4.26Å; W367-P513 HydrophobicContact CH2-CB 3.55Å; W367-P513 HydrophobicContact CH2-CG 3.59Å; W367-P513 HydrophobicContact CZ2-CB 3.42Å; W367-P513 VanDerWaalsContact CZ2-CB 3.42Å; W367-P513 HydrophobicContact CZ2-CG 3.62Å; W367-P513 HydrophobicContact CZ3-CB 3.98Å; W367-P513 HydrophobicContact CZ3-CG 4.37Å; P368-P513 HydrophobicContact CG-CB 3.67Å; I373-P513 HydrophobicContact CD1-CG 4.2Å; I373-P513 HydrophobicContact CG2-CG 4.49Å; N509-P513 WeakPolarHBondContact O-CA 3.47Å
514	F	97.4	Very high	95.4	Very high	18 Å²	18	35.1 Å²	35.1	8%	0.079	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-17.3	179.7	-71.8	-78.4	0	0	0	114.4	R341 L345 W367 I373 W375 I384 R512 C516 M517 D518	R341-F514 HydrophobicContact CB-CE1 4.44Å; R341-F514 HydrophobicContact CG-CD1 3.93Å; R341-F514 HydrophobicContact CG-CE1 4.25Å; R341-F514 VanDerWaalsContact CZ-CG 3.49Å; L345-F514 HydrophobicContact CD1-CE1 4.41Å; W367-F514 HydrophobicContact CH2-CD1 4.3Å; W367-F514 HydrophobicContact CH2-CD2 4.13Å; W367-F514 AromaticContact CH2-CE1 3.97Å; W367-F514 HydrophobicContact CH2-CE1 3.97Å; W367-F514 AromaticContact CH2-CE2 3.79Å; W367-F514 HydrophobicContact CH2-CE2 3.79Å; W367-F514 HydrophobicContact CH2-CG 4.39Å; W367-F514 AromaticContact CH2-CZ 3.71Å; W367-F514 HydrophobicContact CH2-CZ 3.71Å; W367-F514 AromaticContact CZ3-CD1 3.76Å; W367-F514 HydrophobicContact CZ3-CD1 3.76Å; W367-F514 HydrophobicContact CZ3-CD2 4.32Å; W367-F514 AromaticContact CZ3-CE1 3.64Å; W367-F514 HydrophobicContact CZ3-CE1 3.64Å; W367-F514 HydrophobicContact CZ3-CE2 4.22Å; W367-F514 HydrophobicContact CZ3-CG 4.11Å; W367-F514 AromaticContact CZ3-CZ 3.89Å; W367-F514 HydrophobicContact CZ3-CZ 3.89Å; I373-F514 HydrophobicContact CD1-CE2 3.63Å; I373-F514 HydrophobicContact CD1-CZ 4.05Å; W375-F514 HydrophobicContact CB-CZ 4.47Å; W375-F514 AromaticContact CD1-CZ 3.95Å; W375-F514 HydrophobicContact CD2-CZ 4.07Å; W375-F514 AromaticContact CG-CZ 3.91Å; W375-F514 HydrophobicContact CG-CZ 3.91Å; I384-F514 HydrophobicContact CD1-CE1 4Å; I384-F514 HydrophobicContact CD1-CZ 3.62Å; R512-F514 PolarHBondContact O-N 2Å; F514-C516 VanDerWaalsContact C-N 3.29Å; F514-C516 PolarHBondContact O-N 3.33Å; F514-C516 VanDerWaalsContact O-N 3.15Å; F514-M517 HydrophobicContact CD1-SD 4.47Å; F514-M517 WeakPolarHBondContact O-CB 3.46Å; F514-M517 PolarHBondContact O-N 3.37Å; F514-D518 PolarHBondContact O-N 3.43Å
515	D	97.5	Very high	95.6	Very high	14 Å²	14	33.5 Å²	33.5	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-55.3	-42.2	-169	-72.3	-12.5	0	0	0	112.7	V481 I504 R512 M517 D518 L519	V481-D515 HydrophobicContact CG1-CB 4.44Å; I504-D515 HydrophobicContact CG2-CB 3.96Å; R512-D515 WeakPolarHBondContact CB-OD2 3.45Å; R512-D515 IonicContact CZ-OD1 3.59Å; R512-D515 IonicContact CZ-OD2 3.36Å; R512-D515 IonicContact NE-OD1 3.39Å; R512-D515 PolarHBondContact NE-OD1 2.02Å; R512-D515 IonicContact NE-OD2 2.73Å; R512-D515 PolarHBondContact NE-OD2 3.1Å; R512-D515 IonicContact NH2-OD1 2.82Å; R512-D515 PolarHBondContact NH2-OD1 3.07Å; R512-D515 IonicContact NH2-OD2 3.23Å; R512-D515 PolarHBondContact NH2-OD2 2.82Å; R512-D515 PolarHBondContact O-N 2.91Å; D515-M517 PolarHBondContact O-N 3.09Å; D515-D518 PolarHBondContact O-N 3.39Å; D515-L519 WeakPolarHBondContact O-CB 3.29Å; D515-L519 VanDerWaalsContact O-CG 3.28Å; D515-L519 WeakPolarHBondContact O-CG 3.49Å; D515-L519 PolarHBondContact O-N 2.72Å
516	C	96.3	Very high	95.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-43.2	177.2	166.1	0	0	0	0	112.3	C366 C429 I504 C505 F514 S520	C366-C516 VanDerWaalsContact CB-SG 3.54Å; C429-C516 VanDerWaalsContact SG-SG 3.64Å; I504-C516 HydrophobicContact CG2-CB 4.09Å; C505-C516 WeakPolarHBondContact CA-SG 3.17Å; C505-C516 HydrophobicContact CB-CB 4.05Å; C505-C516 WeakPolarHBondContact CB-SG 3.49Å; C505-C516 VanDerWaalsContact SG-CA 3.54Å; C505-C516 WeakPolarHBondContact SG-CB 3.36Å; C505-C516 CovalentContact SG-SG 2.02Å; C505-C516 PolarHBondContact SG-SG 3.38Å; F514-C516 VanDerWaalsContact C-N 3.29Å; F514-C516 PolarHBondContact O-N 3.33Å; F514-C516 VanDerWaalsContact O-N 3.15Å; C516-S520 VanDerWaalsContact O-CB 3.3Å; C516-S520 WeakPolarHBondContact O-CB 3.5Å; C516-S520 PolarHBondContact O-N 2.91Å; C516-S520 PolarHBondContact O-OG 3.49Å
517	M	97.1	Very high	96.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.6	-43.8	178.6	-71.1	173.5	65.1	0	0	111.2	M344 L345 H364 C366 W367 F514 D515 S520 F521	M344-M517 HydrophobicContact CB-CE 3.62Å; M344-M517 HydrophobicContact CE-CB 4Å; M344-M517 HydrophobicContact CE-CE 4.43Å; M344-M517 HydrophobicContact CE-CG 4.14Å; M344-M517 HydrophobicContact SD-CB 4.15Å; M344-M517 HydrophobicContact SD-CE 4.22Å; L345-M517 HydrophobicContact CD2-CE 3.84Å; L345-M517 HydrophobicContact CD2-SD 4.28Å; L345-M517 HydrophobicContact CG-CE 3.74Å; H364-M517 HydrophobicContact CB-SD 4.47Å; C366-M517 HydrophobicContact CB-CG 3.88Å; W367-M517 HydrophobicContact CE3-SD 4.12Å; W367-M517 HydrophobicContact CZ3-SD 4.37Å; F514-M517 HydrophobicContact CD1-SD 4.47Å; F514-M517 WeakPolarHBondContact O-CB 3.46Å; F514-M517 PolarHBondContact O-N 3.37Å; D515-M517 PolarHBondContact O-N 3.09Å; M517-S520 PolarHBondContact O-N 2.88Å; M517-F521 WeakPolarHBondContact O-CB 3.26Å; M517-F521 PolarHBondContact O-N 2.91Å
518	D	98.3	Very high	96.2	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-45	-179.1	-64.9	-16.8	0	0	0	111.5	L337 R341 L477 F514 D515 F521 I522	L337-D518 HydrophobicContact CD1-CB 3.99Å; R341-D518 WeakPolarHBondContact CG-OD1 3.37Å; R341-D518 IonicContact CZ-OD1 2.71Å; R341-D518 IonicContact CZ-OD2 3.16Å; R341-D518 IonicContact NE-OD1 3.68Å; R341-D518 PolarHBondContact NE-OD1 3.43Å; R341-D518 IonicContact NE-OD2 3.22Å; R341-D518 PolarHBondContact NE-OD2 3.2Å; R341-D518 IonicContact NH2-OD1 3.53Å; R341-D518 IonicContact NH2-OD2 3.74Å; R341-D518 PolarHBondContact NH2-OD2 2.92Å; L477-D518 HydrophobicContact CD1-CB 3.9Å; L477-D518 HydrophobicContact CD2-CB 3.73Å; L477-D518 HydrophobicContact CG-CB 4.47Å; F514-D518 PolarHBondContact O-N 3.43Å; D515-D518 PolarHBondContact O-N 3.39Å; D518-F521 PolarHBondContact O-N 3.31Å; D518-I522 WeakPolarHBondContact O-CB 3.21Å; D518-I522 WeakPolarHBondContact O-CG1 3.46Å; D518-I522 PolarHBondContact O-N 3.19Å
519	L	97.8	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-43.3	175.6	-74.3	168.1	0	0	0	111.1	L477 V481 F497 A500 A501 I504 D515 F521 I522 T523	L477-L519 HydrophobicContact CD1-CG 4.49Å; L477-L519 HydrophobicContact CD2-CB 4.48Å; L477-L519 HydrophobicContact CD2-CD2 3.66Å; L477-L519 HydrophobicContact CD2-CG 3.86Å; L477-L519 HydrophobicContact CG-CD2 4.08Å; L477-L519 HydrophobicContact CG-CG 4.37Å; V481-L519 HydrophobicContact CG1-CD1 4.12Å; V481-L519 HydrophobicContact CG2-CD2 4.17Å; F497-L519 HydrophobicContact CD1-CD2 3.91Å; A500-L519 HydrophobicContact CB-CD1 4.01Å; A500-L519 HydrophobicContact CB-CD2 4.11Å; A501-L519 HydrophobicContact CB-CB 3.7Å; I504-L519 HydrophobicContact CB-CD1 4.22Å; I504-L519 HydrophobicContact CD1-CD1 3.42Å; I504-L519 VanDerWaalsContact CD1-CD1 3.42Å; I504-L519 HydrophobicContact CG1-CD1 4.35Å; D515-L519 WeakPolarHBondContact O-CB 3.29Å; D515-L519 VanDerWaalsContact O-CG 3.28Å; D515-L519 WeakPolarHBondContact O-CG 3.49Å; D515-L519 PolarHBondContact O-N 2.72Å; L519-F521 VanDerWaalsContact C-N 3.3Å; L519-F521 PolarHBondContact O-N 3.01Å; L519-I522 PolarHBondContact O-N 3.32Å; L519-T523 WeakPolarHBondContact O-CB 3.42Å; L519-T523 PolarHBondContact O-N 3.48Å; L519-T523 PolarHBondContact O-OG1 3.04Å
520	S	96.3	Very high	96.5	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.014	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-43.1	175.8	-61.3	0	0	0	0	111.5	C429 A433 C516 M517 A524	C429-S520 WeakPolarHBondContact CB-OG 3.35Å; A433-S520 WeakPolarHBondContact CB-O 3.35Å; C516-S520 VanDerWaalsContact O-CB 3.3Å; C516-S520 WeakPolarHBondContact O-CB 3.5Å; C516-S520 PolarHBondContact O-N 2.91Å; C516-S520 PolarHBondContact O-OG 3.49Å; M517-S520 PolarHBondContact O-N 2.88Å; S520-A524 VanDerWaalsContact O-CB 3.28Å; S520-A524 WeakPolarHBondContact O-CB 3.1Å; S520-A524 PolarHBondContact O-N 3.21Å
521	F	97.8	Very high	96.6	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	8%	0.084	C	C	.	.	H	α-helix	trans	-67.2	-47.1	177.9	179.5	-107.7	0	0	0	112.8	L286 L335 L337 A340 M344 A433 V436 L437 M517 D518 L519 T523 A524 L525	L286-F521 HydrophobicContact CD1-CE1 4.28Å; L335-F521 HydrophobicContact CB-CZ 4.43Å; L335-F521 WeakPolarHBondContact O-CZ 3.47Å; L337-F521 HydrophobicContact CD1-CD1 4.05Å; A340-F521 HydrophobicContact CB-CD1 3.58Å; A340-F521 HydrophobicContact CB-CD2 3.64Å; A340-F521 HydrophobicContact CB-CE1 3.41Å; A340-F521 VanDerWaalsContact CB-CE1 3.41Å; A340-F521 HydrophobicContact CB-CE2 3.48Å; A340-F521 VanDerWaalsContact CB-CE2 3.48Å; A340-F521 HydrophobicContact CB-CG 3.68Å; A340-F521 HydrophobicContact CB-CZ 3.37Å; M344-F521 HydrophobicContact SD-CB 4.07Å; A433-F521 HydrophobicContact CB-CB 4.35Å; V436-F521 HydrophobicContact CB-CE2 4.4Å; V436-F521 HydrophobicContact CG1-CE2 3.97Å; L437-F521 HydrophobicContact CD2-CE2 3.92Å; L437-F521 HydrophobicContact CD2-CZ 4.47Å; M517-F521 WeakPolarHBondContact O-CB 3.26Å; M517-F521 PolarHBondContact O-N 2.91Å; D518-F521 PolarHBondContact O-N 3.31Å; L519-F521 VanDerWaalsContact C-N 3.3Å; L519-F521 PolarHBondContact O-N 3.01Å; F521-T523 PolarHBondContact O-N 3.29Å; F521-A524 PolarHBondContact O-N 3.06Å; F521-L525 HydrophobicContact CE1-CD2 3.89Å; F521-L525 HydrophobicContact CZ-CB 4.45Å; F521-L525 HydrophobicContact CZ-CD2 4.03Å; F521-L525 VanDerWaalsContact O-CB 3.26Å; F521-L525 WeakPolarHBondContact O-CB 3.32Å; F521-L525 PolarHBondContact O-N 2.97Å
522	I	98.2	Very high	96.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-43.9	178.8	-73.6	-170.3	0	0	0	110.9	L286 Y474 L477 F497 D518 L519 A524 L525 L526	L286-I522 HydrophobicContact CD2-CD1 3.69Å; L286-I522 HydrophobicContact CD2-CG1 3.8Å; Y474-I522 HydrophobicContact CD1-CD1 3.87Å; Y474-I522 HydrophobicContact CD1-CG1 4.26Å; Y474-I522 HydrophobicContact CD1-CG2 3.79Å; Y474-I522 HydrophobicContact CE1-CD1 4.37Å; Y474-I522 HydrophobicContact CE1-CG1 4.27Å; Y474-I522 HydrophobicContact CE1-CG2 3.86Å; L477-I522 HydrophobicContact CB-CD1 4.21Å; L477-I522 HydrophobicContact CD2-CD1 3.56Å; L477-I522 HydrophobicContact CD2-CG1 4.26Å; F497-I522 HydrophobicContact CD1-CG2 3.67Å; F497-I522 HydrophobicContact CE1-CG2 3.89Å; F497-I522 HydrophobicContact CG-CG2 4.14Å; D518-I522 WeakPolarHBondContact O-CB 3.21Å; D518-I522 WeakPolarHBondContact O-CG1 3.46Å; D518-I522 PolarHBondContact O-N 3.19Å; L519-I522 PolarHBondContact O-N 3.32Å; I522-A524 PolarHBondContact O-N 3.09Å; I522-L525 PolarHBondContact O-N 3.47Å; I522-L526 HydrophobicContact CG2-CD1 3.82Å; I522-L526 HydrophobicContact CG2-CG 4.32Å; I522-L526 WeakPolarHBondContact O-CB 3.25Å; I522-L526 VanDerWaalsContact O-CG 3.31Å; I522-L526 WeakPolarHBondContact O-CG 2.89Å; I522-L526 PolarHBondContact O-N 3.37Å
523	T	96.8	Very high	96.6	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-59.5	-47.4	174.6	-57.1	0	0	0	0	110.9	Y430 F497 Q498 L519 F521 L525 L526 H527	Y430-T523 HydrophobicContact CD2-CG2 4.35Å; Y430-T523 HydrophobicContact CE2-CG2 3.8Å; F497-T523 WeakPolarHBondContact CB-OG1 3.39Å; F497-T523 PolarHBondContact O-OG1 3.43Å; Q498-T523 HydrophobicContact CB-CG2 3.75Å; Q498-T523 HydrophobicContact CG-CG2 4.27Å; Q498-T523 PolarHBondContact N-OG1 2.89Å; L519-T523 WeakPolarHBondContact O-CB 3.42Å; L519-T523 PolarHBondContact O-N 3.48Å; L519-T523 PolarHBondContact O-OG1 3.04Å; F521-T523 PolarHBondContact O-N 3.29Å; T523-L525 PolarHBondContact O-N 3.31Å; T523-L526 PolarHBondContact O-N 2.94Å; T523-H527 VanDerWaalsContact O-CB 3.27Å; T523-H527 WeakPolarHBondContact O-CB 3.29Å; T523-H527 PolarHBondContact O-N 3.49Å
524	A	95.6	Very high	96.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.3	-44.2	177.7	0	0	0	0	0	111.8	Y430 A433 V434 L437 S520 F521 I522 S528 G529	Y430-A524 HydrophobicContact CD2-CB 4.34Å; Y430-A524 HydrophobicContact CE2-CB 3.81Å; A433-A524 HydrophobicContact CB-CB 3.81Å; V434-A524 HydrophobicContact CG2-CB 3.77Å; L437-A524 HydrophobicContact CD1-CB 4.09Å; L437-A524 VanDerWaalsContact CD1-O 3.28Å; L437-A524 WeakPolarHBondContact CD1-O 3.37Å; S520-A524 VanDerWaalsContact O-CB 3.28Å; S520-A524 WeakPolarHBondContact O-CB 3.1Å; S520-A524 PolarHBondContact O-N 3.21Å; F521-A524 PolarHBondContact O-N 3.06Å; I522-A524 PolarHBondContact O-N 3.09Å; A524-S528 CarbonylContact O-C 3.52Å; A524-S528 WeakPolarHBondContact O-CA 2.99Å; A524-S528 WeakPolarHBondContact O-CB 3.4Å; A524-S528 PolarHBondContact O-N 2.86Å; A524-G529 PolarHBondContact O-N 3.46Å
525	L	97.5	Very high	96.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-65.8	-44.7	-178.7	178.5	58.4	0	0	0	111.7	L286 T291 L437 V457 Y474 F521 I522 T523 G529 Y530	L286-L525 HydrophobicContact CD1-CD2 4.17Å; T291-L525 HydrophobicContact CG2-CD1 4.31Å; T291-L525 HydrophobicContact CG2-CD2 4.06Å; L437-L525 HydrophobicContact CD2-CB 4.34Å; L437-L525 HydrophobicContact CD2-CD1 3.84Å; V457-L525 HydrophobicContact CG2-CD1 4.15Å; Y474-L525 WeakPolarHBondContact OH-CD2 3.3Å; F521-L525 HydrophobicContact CE1-CD2 3.89Å; F521-L525 HydrophobicContact CZ-CB 4.45Å; F521-L525 HydrophobicContact CZ-CD2 4.03Å; F521-L525 VanDerWaalsContact O-CB 3.26Å; F521-L525 WeakPolarHBondContact O-CB 3.32Å; F521-L525 PolarHBondContact O-N 2.97Å; I522-L525 PolarHBondContact O-N 3.47Å; T523-L525 PolarHBondContact O-N 3.31Å; L525-G529 CarbonylContact O-C 3.56Å; L525-G529 WeakPolarHBondContact O-CA 3.28Å; L525-G529 PolarHBondContact O-N 2.85Å; L525-Y530 HydrophobicContact CD1-CD2 4.29Å; L525-Y530 HydrophobicContact CD1-CE2 3.83Å; L525-Y530 HydrophobicContact CD2-CE2 4.36Å; L525-Y530 HydrophobicContact CG-CD2 4.21Å; L525-Y530 HydrophobicContact CG-CE2 3.8Å; L525-Y530 WeakPolarHBondContact O-CD2 3.36Å; L525-Y530 PolarHBondContact O-N 3.33Å
526	L	97.8	Very high	96.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-67.4	-50.9	177.3	-67	175.1	0	0	0	111.2	L284 Y474 V494 F497 I522 T523 Y530 G531 F532 I538	L284-L526 HydrophobicContact CD1-CD2 3.74Å; Y474-L526 HydrophobicContact CE1-CD1 4.31Å; Y474-L526 HydrophobicContact CE1-CD2 3.8Å; Y474-L526 HydrophobicContact CE1-CG 4.01Å; V494-L526 HydrophobicContact CG1-CB 4.4Å; V494-L526 HydrophobicContact CG2-CB 4.08Å; F497-L526 HydrophobicContact CD2-CD1 4.41Å; I522-L526 HydrophobicContact CG2-CD1 3.82Å; I522-L526 HydrophobicContact CG2-CG 4.32Å; I522-L526 WeakPolarHBondContact O-CB 3.25Å; I522-L526 VanDerWaalsContact O-CG 3.31Å; I522-L526 WeakPolarHBondContact O-CG 2.89Å; I522-L526 PolarHBondContact O-N 3.37Å; T523-L526 PolarHBondContact O-N 2.94Å; L526-Y530 HydrophobicContact CD2-CD2 4.46Å; L526-G531 PolarHBondContact O-N 3.49Å; L526-F532 HydrophobicContact CB-CD2 4.29Å; L526-F532 HydrophobicContact CD2-CD2 4.03Å; L526-F532 HydrophobicContact CD2-CE2 4.17Å; L526-F532 WeakPolarHBondContact O-CB 3.09Å; L526-F532 WeakPolarHBondContact O-CD2 3.38Å; L526-F532 PolarHBondContact O-N 3.41Å; L526-I538 HydrophobicContact CD1-CD1 4.34Å; L526-I538 HydrophobicContact CD2-CD1 3.99Å
527	H	95.2	Very high	96.4	Very high	51 Å²	51	21 Å²	21	24%	0.236	11%	0.112	C	C	.	.	I	π-helix	trans	-80.1	-67.5	-174.2	-169.6	65	0	0	0	112.7	I411 V494 T523 G531 F532	I411-H527 WeakPolarHBondContact CD1-CD2 3.39Å; V494-H527 HydrophobicContact CG1-CB 3.82Å; T523-H527 VanDerWaalsContact O-CB 3.27Å; T523-H527 WeakPolarHBondContact O-CB 3.29Å; T523-H527 PolarHBondContact O-N 3.49Å; H527-G531 WeakPolarHBondContact O-CA 3.23Å; H527-G531 PolarHBondContact O-N 3.23Å; H527-F532 PolarHBondContact ND1-O 2.98Å
528	S	93	Very high	96.5	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.042	11%	0.113	C	C	.	.	I	π-helix	trans	-76.9	-27.4	-175.8	-64.8	0	0	0	0	113	Y430 N455 Q459 A524	Y430-S528 PolarHBondContact OH-OG 3.3Å; N455-S528 PolarHBondContact ND2-O 2.97Å; Q459-S528 PolarHBondContact NE2-O 2.86Å; A524-S528 CarbonylContact O-C 3.52Å; A524-S528 WeakPolarHBondContact O-CA 2.99Å; A524-S528 WeakPolarHBondContact O-CB 3.4Å; A524-S528 PolarHBondContact O-N 2.86Å
529	G	95.3	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-76.5	-73.1	177.3	0	0	0	0	0	111.7	V457 Q459 A524 L525	V457-G529 VanDerWaalsContact CG1-C 3.48Å; V457-G529 WeakPolarHBondContact CG1-O 3.27Å; Q459-G529 WeakPolarHBondContact CG-O 2.99Å; A524-G529 PolarHBondContact O-N 3.46Å; L525-G529 CarbonylContact O-C 3.56Å; L525-G529 WeakPolarHBondContact O-CA 3.28Å; L525-G529 PolarHBondContact O-N 2.85Å
530	Y	96.6	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-80	-21.1	-176	-67.5	-56.3	0	0	0	114.6	L284 T291 I293 Y332 V457 Q459 L525 L526 F532	L284-Y530 HydrophobicContact CD2-CD2 4.26Å; L284-Y530 HydrophobicContact CD2-CE2 4.06Å; T291-Y530 WeakPolarHBondContact CG2-OH 3.36Å; T291-Y530 PolarHBondContact OG1-OH 2.79Å; T291-Y530 VanDerWaalsContact OG1-OH 3.05Å; I293-Y530 HydrophobicContact CB-CD1 4.42Å; I293-Y530 HydrophobicContact CB-CE1 3.76Å; I293-Y530 HydrophobicContact CD1-CD1 3.79Å; I293-Y530 HydrophobicContact CD1-CE1 4.02Å; I293-Y530 HydrophobicContact CD1-CG 4.39Å; I293-Y530 HydrophobicContact CG1-CE1 4.5Å; I293-Y530 HydrophobicContact CG2-CD1 4.31Å; I293-Y530 HydrophobicContact CG2-CE1 3.58Å; Y332-Y530 HydrophobicContact CD2-CE1 4.37Å; Y332-Y530 AromaticContact CE2-CE1 3.8Å; Y332-Y530 HydrophobicContact CE2-CE1 3.8Å; V457-Y530 HydrophobicContact CG1-CD1 3.63Å; V457-Y530 HydrophobicContact CG1-CE1 3.72Å; V457-Y530 HydrophobicContact CG1-CG 4.32Å; Q459-Y530 WeakPolarHBondContact CA-O 3.44Å; L525-Y530 HydrophobicContact CD1-CD2 4.29Å; L525-Y530 HydrophobicContact CD1-CE2 3.83Å; L525-Y530 HydrophobicContact CD2-CE2 4.36Å; L525-Y530 HydrophobicContact CG-CD2 4.21Å; L525-Y530 HydrophobicContact CG-CE2 3.8Å; L525-Y530 WeakPolarHBondContact O-CD2 3.36Å; L525-Y530 PolarHBondContact O-N 3.33Å; L526-Y530 HydrophobicContact CD2-CD2 4.46Å; Y530-F532 HydrophobicContact CD2-CD2 4.43Å; Y530-F532 HydrophobicContact CD2-CE2 4.08Å; Y530-F532 HydrophobicContact CG-CD2 4.44Å; Y530-F532 HydrophobicContact CG-CE2 4.1Å
531	G	95.2	Very high	96.4	Very high	10 Å²	10	22.7 Å²	22.7	10%	0.103	12%	0.119	C	C	.	.			trans	88.2	21.7	-179.8	0	0	0	0	0	114	L526 H527	L526-G531 PolarHBondContact O-N 3.49Å; H527-G531 WeakPolarHBondContact O-CA 3.23Å; H527-G531 PolarHBondContact O-N 3.23Å
532	F	96.6	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.			trans	-67.1	130.7	176.1	-73.5	-70.8	0	0	0	111.1	L284 V463 F468 V494 L526 H527 Y530 K536 I538	L284-F532 HydrophobicContact CD1-CE2 3.58Å; L284-F532 HydrophobicContact CD1-CZ 3.74Å; L284-F532 HydrophobicContact CD2-CE2 4.06Å; L284-F532 HydrophobicContact CD2-CZ 4.19Å; L284-F532 HydrophobicContact CG-CE2 4.41Å; L284-F532 HydrophobicContact CG-CZ 4.39Å; V463-F532 HydrophobicContact CB-CD1 3.76Å; V463-F532 HydrophobicContact CB-CE1 3.54Å; V463-F532 HydrophobicContact CB-CG 4.43Å; V463-F532 HydrophobicContact CB-CZ 3.93Å; V463-F532 HydrophobicContact CG1-CE1 4.26Å; V463-F532 HydrophobicContact CG1-CZ 4.16Å; V463-F532 HydrophobicContact CG2-CD1 4.15Å; V463-F532 HydrophobicContact CG2-CE1 4.42Å; V463-F532 WeakPolarHBondContact O-CD1 3.35Å; V463-F532 VanDerWaalsContact O-CE1 3.26Å; V463-F532 WeakPolarHBondContact O-CE1 3.4Å; F468-F532 HydrophobicContact CB-CE1 4.44Å; F468-F532 HydrophobicContact CB-CZ 4.37Å; F468-F532 HydrophobicContact CD1-CZ 4.19Å; F468-F532 AromaticContact CD2-CE1 3.74Å; F468-F532 HydrophobicContact CD2-CE1 3.74Å; F468-F532 AromaticContact CD2-CZ 3.95Å; F468-F532 HydrophobicContact CD2-CZ 3.95Å; F468-F532 HydrophobicContact CE1-CZ 4.48Å; F468-F532 HydrophobicContact CE2-CE1 4.14Å; F468-F532 HydrophobicContact CE2-CZ 4.25Å; F468-F532 HydrophobicContact CG-CE1 4.09Å; F468-F532 AromaticContact CG-CZ 3.92Å; F468-F532 HydrophobicContact CG-CZ 3.92Å; V494-F532 HydrophobicContact CG2-CB 3.75Å; L526-F532 HydrophobicContact CB-CD2 4.29Å; L526-F532 HydrophobicContact CD2-CD2 4.03Å; L526-F532 HydrophobicContact CD2-CE2 4.17Å; L526-F532 WeakPolarHBondContact O-CB 3.09Å; L526-F532 WeakPolarHBondContact O-CD2 3.38Å; L526-F532 PolarHBondContact O-N 3.41Å; H527-F532 PolarHBondContact ND1-O 2.98Å; Y530-F532 HydrophobicContact CD2-CD2 4.43Å; Y530-F532 HydrophobicContact CD2-CE2 4.08Å; Y530-F532 HydrophobicContact CG-CD2 4.44Å; Y530-F532 HydrophobicContact CG-CE2 4.1Å; F532-K536 HydrophobicContact CB-CB 4.37Å; F532-K536 HydrophobicContact CD1-CB 4.44Å; F532-K536 HydrophobicContact CD1-CD 4.5Å; F532-K536 HydrophobicContact CD1-CG 3.71Å; F532-K536 HydrophobicContact CE1-CG 4.34Å; F532-K536 HydrophobicContact CG-CG 4.48Å; F532-I538 HydrophobicContact CD1-CD1 4.41Å; F532-I538 HydrophobicContact CD2-CD1 4.27Å; F532-I538 HydrophobicContact CE1-CD1 4.42Å; F532-I538 HydrophobicContact CE2-CD1 4.38Å; F532-I538 HydrophobicContact CG-CD1 4.29Å; F532-I538 HydrophobicContact CZ-CD1 4.44Å
533	P	95.9	Very high	95.8	Very high	36 Å²	36	31.9 Å²	31.9	23%	0.234	16%	0.157	C	C	.	.			trans	-57.5	151.9	171.4	-25.2	34.2	0	0	0	112.1	K464 V494 D535 K536	K464-P533 HydrophobicContact CB-CG 4.16Å; K464-P533 HydrophobicContact CD-CG 4.4Å; K464-P533 HydrophobicContact CG-CG 3.81Å; V494-P533 WeakPolarHBondContact CG2-O 3.45Å; P533-D535 VanDerWaalsContact C-N 3.25Å; P533-D535 VanDerWaalsContact CB-OD1 3.26Å; P533-D535 WeakPolarHBondContact CB-OD1 3.46Å; P533-D535 PolarHBondContact O-N 3.05Å; P533-K536 HydrophobicContact CB-CB 4.31Å; P533-K536 WeakPolarHBondContact O-CB 3.27Å; P533-K536 PolarHBondContact O-N 3.25Å
534	A	94.3	Very high	95.3	Very high	34 Å²	34	32.5 Å²	32.5	28%	0.281	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-38.5	-178.5	0	0	0	0	0	112.6	T493 V494 N495 K536	T493-A534 WeakPolarHBondContact CB-O 3.46Å; V494-A534 PolarHBondContact N-O 3.37Å; N495-A534 HydrophobicContact CB-CB 4.47Å; N495-A534 WeakPolarHBondContact CB-O 3.39Å; N495-A534 PolarHBondContact N-O 3.46Å; A534-K536 VanDerWaalsContact C-N 3.32Å
535	D	96.2	Very high	94.8	Very high	125 Å²	125	37.5 Å²	37.5	67%	0.668	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.3	180	68.2	-38.7	0	0	0	113.7	P533 K537	P533-D535 VanDerWaalsContact C-N 3.25Å; P533-D535 VanDerWaalsContact CB-OD1 3.26Å; P533-D535 WeakPolarHBondContact CB-OD1 3.46Å; P533-D535 PolarHBondContact O-N 3.05Å; D535-K537 PolarHBondContact O-N 3.27Å; D535-K537 VanDerWaalsContact O-N 3.11Å
536	K	96.2	Very high	94.2	Very high	27 Å²	27	42.3 Å²	42.3	12%	0.117	22%	0.221	C	C	.	.			trans	-63.7	116.6	-178.6	178.7	66.8	176.1	-179.2	0	110.8	V463 K464 R466 T493 F532 P533 A534 I538	V463-K536 VanDerWaalsContact O-CE 3.29Å; V463-K536 WeakPolarHBondContact O-CE 3.48Å; K464-K536 PolarHBondContact O-NZ 2.8Å; R466-K536 VanDerWaalsContact O-CE 3.32Å; R466-K536 WeakPolarHBondContact O-CE 3.41Å; R466-K536 PolarHBondContact O-NZ 2.89Å; T493-K536 VanDerWaalsContact CA-O 3.29Å; T493-K536 WeakPolarHBondContact CA-O 3.5Å; F532-K536 HydrophobicContact CB-CB 4.37Å; F532-K536 HydrophobicContact CD1-CB 4.44Å; F532-K536 HydrophobicContact CD1-CD 4.5Å; F532-K536 HydrophobicContact CD1-CG 3.71Å; F532-K536 HydrophobicContact CE1-CG 4.34Å; F532-K536 HydrophobicContact CG-CG 4.48Å; P533-K536 HydrophobicContact CB-CB 4.31Å; P533-K536 WeakPolarHBondContact O-CB 3.27Å; P533-K536 PolarHBondContact O-N 3.25Å; A534-K536 VanDerWaalsContact C-N 3.32Å; K536-I538 HydrophobicContact CG-CG1 4.2Å
537	K	97.7	Very high	93.9	Very high	145 Å²	145	44.1 Å²	44.1	63%	0.63	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.5	170.3	-63.4	-175.7	-178.7	-176.6	0	111.3	L492 T493 D535	L492-K537 WeakPolarHBondContact O-CA 3.12Å; T493-K537 HydrophobicContact CG2-CG 3.96Å; D535-K537 PolarHBondContact O-N 3.27Å; D535-K537 VanDerWaalsContact O-N 3.11Å
538	I	98.5	Very high	93.6	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.2	174.1	-61.9	171.8	0	0	0	107.3	L284 F468 A470 F491 L492 V494 L526 F532 K536 F540	L284-I538 HydrophobicContact CD1-CD1 4.18Å; L284-I538 HydrophobicContact CD1-CG2 4.47Å; F468-I538 WeakPolarHBondContact O-CA 3.47Å; F468-I538 WeakPolarHBondContact O-CG2 3.28Å; A470-I538 HydrophobicContact CB-CG2 3.73Å; F491-I538 VanDerWaalsContact CA-O 3.3Å; F491-I538 WeakPolarHBondContact CA-O 3.43Å; L492-I538 PolarHBondContact N-O 3.4Å; L492-I538 PolarHBondContact O-N 3.01Å; V494-I538 HydrophobicContact CG2-CD1 4.5Å; L526-I538 HydrophobicContact CD1-CD1 4.34Å; L526-I538 HydrophobicContact CD2-CD1 3.99Å; F532-I538 HydrophobicContact CD1-CD1 4.41Å; F532-I538 HydrophobicContact CD2-CD1 4.27Å; F532-I538 HydrophobicContact CE1-CD1 4.42Å; F532-I538 HydrophobicContact CE2-CD1 4.38Å; F532-I538 HydrophobicContact CG-CD1 4.29Å; F532-I538 HydrophobicContact CZ-CD1 4.44Å; K536-I538 HydrophobicContact CG-CG1 4.2Å; I538-F540 HydrophobicContact CB-CE2 3.62Å; I538-F540 HydrophobicContact CB-CZ 4.03Å; I538-F540 HydrophobicContact CG2-CD2 4.32Å; I538-F540 HydrophobicContact CG2-CE2 3.63Å; I538-F540 HydrophobicContact CG2-CZ 3.76Å; I538-F540 WeakPolarHBondContact O-CD2 3.31Å; I538-F540 WeakPolarHBondContact O-CE2 3.46Å
539	G	98.2	Very high	93.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.5	177.1	0	0	0	0	0	112	F468 Y469 A470	F468-G539 PolarHBondContact O-N 2.88Å; Y469-G539 CarbonylContact C-O 3.56Å; Y469-G539 WeakPolarHBondContact CA-O 3.41Å; Y469-G539 WeakPolarHBondContact CB-O 3.47Å; A470-G539 PolarHBondContact N-O 3.47Å
540	F	98	Very high	93.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	102.1	179.6	-64.1	-102.1	0	0	0	108.2	A470 F475 I484 G489 G490 L492 F497 I538	A470-F540 HydrophobicContact CB-CD1 3.95Å; A470-F540 HydrophobicContact CB-CE1 3.64Å; A470-F540 HydrophobicContact CB-CZ 4.08Å; F475-F540 HydrophobicContact CD2-CB 4.17Å; I484-F540 HydrophobicContact CD1-CB 3.51Å; I484-F540 HydrophobicContact CD1-CG 4.37Å; G489-F540 CarbonylContact C-O 3.52Å; G489-F540 WeakPolarHBondContact CA-O 3.47Å; G490-F540 PolarHBondContact N-O 3.13Å; G490-F540 PolarHBondContact O-N 2.69Å; L492-F540 HydrophobicContact CB-CD2 3.96Å; L492-F540 HydrophobicContact CB-CE2 3.65Å; L492-F540 HydrophobicContact CB-CZ 4.45Å; L492-F540 HydrophobicContact CD1-CD2 4.14Å; L492-F540 HydrophobicContact CD1-CE2 4.25Å; L492-F540 HydrophobicContact CD1-CG 4.48Å; L492-F540 HydrophobicContact CG-CD2 4.11Å; L492-F540 HydrophobicContact CG-CE2 4.26Å; F497-F540 AromaticContact CE2-CE1 3.75Å; F497-F540 HydrophobicContact CE2-CE1 3.75Å; F497-F540 AromaticContact CE2-CE2 3.98Å; F497-F540 HydrophobicContact CE2-CE2 3.98Å; F497-F540 AromaticContact CE2-CZ 3.33Å; F497-F540 HydrophobicContact CE2-CZ 3.33Å; F497-F540 HydrophobicContact CZ-CD1 4.27Å; F497-F540 AromaticContact CZ-CE1 3.46Å; F497-F540 HydrophobicContact CZ-CE1 3.46Å; F497-F540 VanDerWaalsContact CZ-CE1 3.46Å; F497-F540 HydrophobicContact CZ-CE2 4.43Å; F497-F540 AromaticContact CZ-CZ 3.6Å; F497-F540 HydrophobicContact CZ-CZ 3.6Å; I538-F540 HydrophobicContact CB-CE2 3.62Å; I538-F540 HydrophobicContact CB-CZ 4.03Å; I538-F540 HydrophobicContact CG2-CD2 4.32Å; I538-F540 HydrophobicContact CG2-CE2 3.63Å; I538-F540 HydrophobicContact CG2-CZ 3.76Å; I538-F540 WeakPolarHBondContact O-CD2 3.31Å; I538-F540 WeakPolarHBondContact O-CE2 3.46Å
541	F	94.8	Very high	93.4	Very high	39 Å²	39	44.9 Å²	44.9	17%	0.171	23%	0.233	C	C	.	.			trans	-135.9	130	-174.7	-56.8	-78.6	0	0	0	110.5	Y469 F471 F491	Y469-F541 HydrophobicContact CD1-CE2 4.31Å; Y469-F541 AromaticContact CD2-CD2 3.66Å; Y469-F541 HydrophobicContact CD2-CD2 3.66Å; Y469-F541 HydrophobicContact CD2-CE2 4.07Å; Y469-F541 HydrophobicContact CE1-CE2 4.1Å; Y469-F541 AromaticContact CE2-CD2 3.71Å; Y469-F541 HydrophobicContact CE2-CD2 3.71Å; Y469-F541 AromaticContact CE2-CE2 3.76Å; Y469-F541 HydrophobicContact CE2-CE2 3.76Å; Y469-F541 HydrophobicContact CG-CD2 4.13Å; Y469-F541 HydrophobicContact CG-CE2 4.37Å; Y469-F541 AromaticContact CZ-CE2 3.83Å; F471-F541 WeakPolarHBondContact CD1-O 2.97Å; F471-F541 WeakPolarHBondContact CE1-O 3.45Å; F491-F541 HydrophobicContact CD2-CZ 4.15Å; F491-F541 HydrophobicContact CE1-CE2 4.39Å; F491-F541 HydrophobicContact CE2-CE2 4.23Å; F491-F541 AromaticContact CE2-CZ 3.67Å; F491-F541 HydrophobicContact CE2-CZ 3.67Å; F491-F541 HydrophobicContact CZ-CE2 4Å; F491-F541 AromaticContact CZ-CZ 3.92Å; F491-F541 HydrophobicContact CZ-CZ 3.92Å
542	R	91.2	Very high	93.5	Very high	77 Å²	77	44.4 Å²	44.4	29%	0.291	23%	0.228	S	C	.	.	S	Bend	trans	-72.1	-38.8	170.9	-178	-178.5	-89.2	-79.8	-1.7	111.7	F475 D476 E486 I549	F475-R542 HydrophobicContact CD1-CB 4.42Å; F475-R542 HydrophobicContact CE1-CB 3.81Å; F475-R542 HydrophobicContact CE1-CG 4.48Å; F475-R542 HydrophobicContact CE2-CB 4.09Å; F475-R542 HydrophobicContact CZ-CB 3.63Å; D476-R542 IonicContact OD1-NH2 3.54Å; E486-R542 IonicContact OE1-CZ 3.77Å; E486-R542 IonicContact OE1-NE 2.64Å; E486-R542 IonicContact OE1-NH2 3.57Å; R542-I549 PolarHBondContact O-N 3.09Å
543	K	90.7	Very high	93.4	Very high	117 Å²	117	44.6 Å²	44.6	51%	0.509	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.3	-174.3	-62.2	-172.6	171.9	-167	0	112.3	F547	K543-F547 CarbonylContact C-O 3.51Å; K543-F547 WeakPolarHBondContact CA-O 3.3Å; K543-F547 WeakPolarHBondContact CB-O 3.45Å
544	V	86.3	Confident	93.3	Very high	13 Å²	13	43 Å²	43	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.5	165.9	174.2	0	0	0	0	107.9	L254 L257 S546 F547 I549	L254-V544 HydrophobicContact CD1-CG2 4Å; L257-V544 HydrophobicContact CB-CG1 4.34Å; V544-S546 PolarHBondContact O-N 3.05Å; V544-F547 PolarHBondContact N-O 3.3Å; V544-F547 PolarHBondContact O-N 3.41Å; V544-I549 HydrophobicContact CB-CD1 3.62Å; V544-I549 HydrophobicContact CB-CG1 4.15Å; V544-I549 HydrophobicContact CG2-CD1 3.69Å; V544-I549 HydrophobicContact CG2-CG1 3.77Å
545	N	84.8	Confident	93.4	Very high	105 Å²	105	41.4 Å²	41.4	56%	0.561	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	41.3	-178.7	-61.1	-31.8	0	0	0	112.5	L257 F547	L257-N545 PolarHBondContact O-ND2 3.28Å; N545-F547 HydrophobicContact CB-CD2 4.4Å; N545-F547 WeakPolarHBondContact O-CD2 3.15Å; N545-F547 WeakPolarHBondContact O-CE2 2.89Å; N545-F547 PolarHBondContact O-N 2.87Å
546	S	86.4	Confident	93.2	Very high	102 Å²	102	35.6 Å²	35.6	71%	0.713	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	-0.6	-177.1	-53.2	0	0	0	0	116.9	V544	V544-S546 PolarHBondContact O-N 3.05Å
547	F	90.5	Very high	93	Very high	37 Å²	37	34.4 Å²	34.4	16%	0.162	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.3	178	-58.1	-68.8	0	0	0	111.9	L152 D155 L257 K543 V544 N545	L152-F547 HydrophobicContact CB-CZ 4.37Å; L152-F547 HydrophobicContact CD2-CB 3.96Å; L152-F547 HydrophobicContact CD2-CD1 3.4Å; L152-F547 VanDerWaalsContact CD2-CD1 3.4Å; L152-F547 HydrophobicContact CD2-CD2 3.98Å; L152-F547 HydrophobicContact CD2-CE1 3.82Å; L152-F547 HydrophobicContact CD2-CE2 4.33Å; L152-F547 HydrophobicContact CD2-CG 3.49Å; L152-F547 VanDerWaalsContact CD2-CG 3.49Å; L152-F547 HydrophobicContact CD2-CZ 4.25Å; L152-F547 HydrophobicContact CG-CD1 3.85Å; L152-F547 HydrophobicContact CG-CE1 3.7Å; L152-F547 HydrophobicContact CG-CE2 4.38Å; L152-F547 HydrophobicContact CG-CG 4.26Å; L152-F547 HydrophobicContact CG-CZ 3.98Å; L152-F547 WeakPolarHBondContact O-CZ 3.3Å; D155-F547 HydrophobicContact CB-CD1 4.19Å; L257-F547 HydrophobicContact CD1-CB 4.14Å; L257-F547 HydrophobicContact CD2-CB 4.46Å; L257-F547 HydrophobicContact CD2-CD2 4.03Å; L257-F547 HydrophobicContact CD2-CG 4.47Å; K543-F547 CarbonylContact C-O 3.51Å; K543-F547 WeakPolarHBondContact CA-O 3.3Å; K543-F547 WeakPolarHBondContact CB-O 3.45Å; V544-F547 PolarHBondContact N-O 3.3Å; V544-F547 PolarHBondContact O-N 3.41Å; N545-F547 HydrophobicContact CB-CD2 4.4Å; N545-F547 WeakPolarHBondContact O-CD2 3.15Å; N545-F547 WeakPolarHBondContact O-CE2 2.89Å; N545-F547 PolarHBondContact O-N 2.87Å
548	E	88.5	Confident	92.5	Very high	36 Å²	36	28.8 Å²	28.8	17%	0.168	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	138.9	176.2	-173	161.8	171	0	0	110.9	F157	F157-E548 WeakPolarHBondContact CD1-OE2 3.35Å; F157-E548 WeakPolarHBondContact CG-OE2 3.31Å
549	I	92.1	Very high	91.9	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.062	16%	0.157	C	C	.	.			trans	-99.7	113.8	-178.3	-52.7	-62.7	0	0	0	110.3	L250 L254 L257 F471 R542 V544	L250-I549 HydrophobicContact CD1-CG2 3.77Å; L254-I549 HydrophobicContact CB-CG2 4.32Å; L254-I549 HydrophobicContact CD1-CD1 4.39Å; L254-I549 HydrophobicContact CD1-CG2 4.28Å; L257-I549 HydrophobicContact CD1-CD1 3.37Å; F471-I549 HydrophobicContact CD1-CB 3.9Å; F471-I549 HydrophobicContact CD1-CG2 3.8Å; F471-I549 HydrophobicContact CE1-CB 3.57Å; F471-I549 HydrophobicContact CE1-CG1 4.06Å; F471-I549 HydrophobicContact CE1-CG2 3.34Å; F471-I549 HydrophobicContact CE2-CG2 4.28Å; F471-I549 HydrophobicContact CG-CG2 4.45Å; F471-I549 HydrophobicContact CZ-CB 4.33Å; F471-I549 HydrophobicContact CZ-CG2 3.62Å; R542-I549 PolarHBondContact O-N 3.09Å; V544-I549 HydrophobicContact CB-CD1 3.62Å; V544-I549 HydrophobicContact CB-CG1 4.15Å; V544-I549 HydrophobicContact CG2-CD1 3.69Å; V544-I549 HydrophobicContact CG2-CG1 3.77Å
550	N	93.7	Very high	91.1	Very high	20 Å²	20	31.6 Å²	31.6	11%	0.107	16%	0.162	C	C	.	.	S	Bend	trans	-156.3	178.5	174.8	61	79	0	0	0	109.1	H135 T253 S552	H135-N550 PolarHBondContact CE1-ND2 3.35Å; H135-N550 PolarHBondContact NE2-ND2 2.02Å; T253-N550 WeakPolarHBondContact CB-O 3.17Å; T253-N550 VanDerWaalsContact CG2-O 3.29Å; T253-N550 WeakPolarHBondContact CG2-O 3.45Å; T253-N550 PolarHBondContact OG1-O 3.34Å; N550-S552 VanDerWaalsContact C-N 3.31Å; N550-S552 PolarHBondContact O-N 3.43Å; N550-S552 WeakPolarHBondContact OD1-CA 3.47Å; N550-S552 WeakPolarHBondContact OD1-CB 3.41Å; N550-S552 PolarHBondContact OD1-N 3.03Å; N550-S552 PolarHBondContact OD1-OG 3.49Å
551	W	96.1	Very high	89.9	Confident	6 Å²	6	36.6 Å²	36.6	2%	0.023	18%	0.182	C	C	.	.	S	Bend	trans	-76.3	-13.9	-176.7	60.5	-102.1	0	0	0	114.3	V124 D126 R202 T204 M241 E246 Y249 L250 L553 G554 A555	V124-W551 HydrophobicContact CG1-CH2 4.01Å; V124-W551 HydrophobicContact CG1-CZ3 3.78Å; D126-W551 HydrophobicContact CB-CH2 3.94Å; D126-W551 HydrophobicContact CB-CZ2 3.35Å; D126-W551 WeakPolarHBondContact OD1-CZ2 3.34Å; R202-W551 HydrophobicContact CB-CH2 3.5Å; R202-W551 HydrophobicContact CB-CZ2 4.21Å; R202-W551 HydrophobicContact CB-CZ3 3.89Å; R202-W551 HydrophobicContact CG-CH2 4.07Å; R202-W551 HydrophobicContact CG-CZ3 3.96Å; T204-W551 HydrophobicContact CG2-CZ2 4.17Å; M241-W551 HydrophobicContact CE-CD2 3.47Å; M241-W551 VanDerWaalsContact CE-CD2 3.47Å; M241-W551 VanDerWaalsContact CE-CE2 3.49Å; M241-W551 HydrophobicContact CE-CE3 3.69Å; M241-W551 HydrophobicContact CE-CG 4Å; M241-W551 HydrophobicContact CE-CH2 4.12Å; M241-W551 HydrophobicContact CE-CZ2 3.77Å; M241-W551 HydrophobicContact CE-CZ3 4.04Å; M241-W551 HydrophobicContact SD-CD2 4.35Å; M241-W551 HydrophobicContact SD-CE3 4.01Å; M241-W551 HydrophobicContact SD-CZ3 4.3Å; E246-W551 HydrophobicContact CG-CG 4.34Å; E246-W551 WeakPolarHBondContact O-CB 3.48Å; Y249-W551 WeakPolarHBondContact CB-O 3.25Å; L250-W551 HydrophobicContact CB-CB 4.18Å; W551-L553 PolarHBondContact O-N 3.4Å; W551-G554 PolarHBondContact O-N 2.95Å; W551-A555 HydrophobicContact CE3-CB 3.69Å; W551-A555 HydrophobicContact CZ3-CB 3.72Å; W551-A555 PolarHBondContact O-N 2.94Å
552	S	96.5	Very high	88.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-40.3	-167.3	-56.3	0	0	0	0	113.5	H135 N550 A555 L556	H135-S552 PolarHBondContact CD2-OG 3.24Å; N550-S552 VanDerWaalsContact C-N 3.31Å; N550-S552 PolarHBondContact O-N 3.43Å; N550-S552 WeakPolarHBondContact OD1-CA 3.47Å; N550-S552 WeakPolarHBondContact OD1-CB 3.41Å; N550-S552 PolarHBondContact OD1-N 3.03Å; N550-S552 PolarHBondContact OD1-OG 3.49Å; S552-A555 PolarHBondContact O-N 2.95Å; S552-L556 PolarHBondContact O-N 3.4Å
553	L	95.5	Very high	85.7	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-44	179.3	-177.8	65.2	0	0	0	111.6	F137 L139 L152 T253 F256 L257 W551 A555 L556 F557	F137-L553 HydrophobicContact CD1-CD1 4.01Å; F137-L553 HydrophobicContact CD2-CD1 4.42Å; F137-L553 HydrophobicContact CE1-CB 4.07Å; F137-L553 HydrophobicContact CE1-CD1 4.12Å; F137-L553 HydrophobicContact CE2-CB 4.37Å; F137-L553 HydrophobicContact CG-CD1 4.14Å; F137-L553 HydrophobicContact CZ-CB 3.83Å; F137-L553 HydrophobicContact CZ-CD1 4.36Å; L139-L553 HydrophobicContact CD2-CD1 4.22Å; L152-L553 HydrophobicContact CD1-CD1 4.33Å; L152-L553 HydrophobicContact CD2-CD2 4.02Å; T253-L553 HydrophobicContact CG2-CB 3.85Å; T253-L553 HydrophobicContact CG2-CD2 4.06Å; F256-L553 HydrophobicContact CD1-CD2 3.83Å; F256-L553 HydrophobicContact CE1-CD2 3.97Å; L257-L553 HydrophobicContact CD2-CD2 4.25Å; L257-L553 HydrophobicContact CG-CD2 4.43Å; W551-L553 PolarHBondContact O-N 3.4Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-A555 PolarHBondContact O-N 2.99Å; L553-L556 WeakPolarHBondContact O-CB 3.49Å; L553-L556 PolarHBondContact O-N 3.24Å; L553-F557 HydrophobicContact CD1-CD2 4.38Å; L553-F557 HydrophobicContact CD1-CE1 4.42Å; L553-F557 HydrophobicContact CD1-CE2 3.86Å; L553-F557 HydrophobicContact CD1-CZ 3.87Å; L553-F557 HydrophobicContact CD2-CE2 3.91Å; L553-F557 HydrophobicContact CD2-CZ 4.42Å; L553-F557 HydrophobicContact CG-CD2 4.01Å; L553-F557 HydrophobicContact CG-CE2 3.58Å; L553-F557 HydrophobicContact CG-CZ 4.12Å; L553-F557 WeakPolarHBondContact O-CD2 3.36Å; L553-F557 PolarHBondContact O-N 3.02Å
554	G	94.2	Very high	85.5	Confident	3 Å²	3	41.3 Å²	41.3	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-39.8	175.3	0	0	0	0	0	112.4	T253 W551 F557 S558	T253-G554 PolarHBondContact OG1-N 3.45Å; W551-G554 PolarHBondContact O-N 2.95Å; G554-F557 PolarHBondContact O-N 3.28Å; G554-S558 PolarHBondContact O-N 3.45Å
555	A	94.5	Very high	85.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-44.6	173.8	0	0	0	0	0	111.9	I200 Y249 W551 S552 L553 F557 S558 E559	I200-A555 HydrophobicContact CD1-CB 4.09Å; Y249-A555 HydrophobicContact CD2-CB 3.67Å; Y249-A555 HydrophobicContact CE2-CB 3.91Å; Y249-A555 HydrophobicContact CG-CB 4.22Å; W551-A555 HydrophobicContact CE3-CB 3.69Å; W551-A555 HydrophobicContact CZ3-CB 3.72Å; W551-A555 PolarHBondContact O-N 2.94Å; S552-A555 PolarHBondContact O-N 2.95Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-A555 PolarHBondContact O-N 2.99Å; A555-F557 VanDerWaalsContact C-N 3.31Å; A555-F557 PolarHBondContact O-N 3Å; A555-S558 VanDerWaalsContact O-CB 3.31Å; A555-S558 WeakPolarHBondContact O-CB 3.26Å; A555-S558 PolarHBondContact O-N 3.38Å; A555-E559 PolarHBondContact O-N 3.38Å
556	L	93.9	Very high	85.4	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-45.9	175.5	176.8	61.6	0	0	0	111.3	V124 F137 L139 P198 S552 L553 S558 E559 M560	V124-L556 HydrophobicContact CG2-CB 3.8Å; V124-L556 HydrophobicContact CG2-CD1 4.48Å; F137-L556 HydrophobicContact CB-CD2 3.96Å; F137-L556 HydrophobicContact CD2-CD2 3.6Å; F137-L556 HydrophobicContact CE2-CD2 4.48Å; F137-L556 HydrophobicContact CG-CD2 4.11Å; L139-L556 HydrophobicContact CD1-CD2 4.1Å; P198-L556 HydrophobicContact CG-CD1 4.24Å; S552-L556 PolarHBondContact O-N 3.4Å; L553-L556 WeakPolarHBondContact O-CB 3.49Å; L553-L556 PolarHBondContact O-N 3.24Å; L556-S558 VanDerWaalsContact C-N 3.32Å; L556-S558 PolarHBondContact O-N 3.37Å; L556-E559 PolarHBondContact O-N 2.81Å; L556-E559 VanDerWaalsContact O-N 3.15Å; L556-M560 HydrophobicContact CD1-CG 4.15Å; L556-M560 HydrophobicContact CD1-SD 3.88Å; L556-M560 HydrophobicContact CD2-SD 4.1Å; L556-M560 HydrophobicContact CG-CG 4.34Å; L556-M560 HydrophobicContact CG-SD 3.68Å; L556-M560 WeakPolarHBondContact O-CG 3.49Å; L556-M560 PolarHBondContact O-N 2.77Å
557	F	90.2	Very high	85.4	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-41.4	177.2	-74.5	-38.2	0	0	0	112.5	L139 F150 F252 F256 L553 G554 A555 E559 M560 Y561	L139-F557 HydrophobicContact CD2-CE1 3.46Å; L139-F557 VanDerWaalsContact CD2-CE1 3.46Å; L139-F557 HydrophobicContact CD2-CZ 3.65Å; F150-F557 HydrophobicContact CB-CE1 3.5Å; F150-F557 VanDerWaalsContact CB-CE1 3.5Å; F150-F557 HydrophobicContact CB-CZ 3.78Å; F150-F557 HydrophobicContact CD1-CE1 4.4Å; F150-F557 AromaticContact CD2-CD1 3.99Å; F150-F557 HydrophobicContact CD2-CD1 3.99Å; F150-F557 AromaticContact CD2-CE1 3.73Å; F150-F557 HydrophobicContact CD2-CE1 3.73Å; F150-F557 HydrophobicContact CG-CD1 4.29Å; F150-F557 AromaticContact CG-CE1 3.61Å; F150-F557 HydrophobicContact CG-CE1 3.61Å; F150-F557 HydrophobicContact CG-CZ 4.38Å; F252-F557 HydrophobicContact CD1-CD2 4.09Å; F252-F557 HydrophobicContact CE1-CB 4.44Å; F252-F557 AromaticContact CE1-CD2 3.37Å; F252-F557 HydrophobicContact CE1-CD2 3.37Å; F252-F557 AromaticContact CE1-CE2 3.92Å; F252-F557 HydrophobicContact CE1-CE2 3.92Å; F252-F557 HydrophobicContact CE1-CG 4.28Å; F252-F557 HydrophobicContact CZ-CD2 4.23Å; F256-F557 AromaticContact CD1-CE2 3.88Å; F256-F557 HydrophobicContact CD1-CE2 3.88Å; F256-F557 HydrophobicContact CD1-CZ 4.42Å; F256-F557 HydrophobicContact CD2-CE2 4.15Å; F256-F557 AromaticContact CE1-CE2 3.77Å; F256-F557 HydrophobicContact CE1-CE2 3.77Å; F256-F557 AromaticContact CE1-CZ 3.84Å; F256-F557 HydrophobicContact CE1-CZ 3.84Å; F256-F557 HydrophobicContact CE2-CE2 4.05Å; F256-F557 HydrophobicContact CE2-CZ 4.08Å; F256-F557 HydrophobicContact CG-CE2 4.07Å; F256-F557 AromaticContact CZ-CE2 3.85Å; F256-F557 HydrophobicContact CZ-CE2 3.85Å; F256-F557 AromaticContact CZ-CZ 3.65Å; F256-F557 HydrophobicContact CZ-CZ 3.65Å; L553-F557 HydrophobicContact CD1-CD2 4.38Å; L553-F557 HydrophobicContact CD1-CE1 4.42Å; L553-F557 HydrophobicContact CD1-CE2 3.86Å; L553-F557 HydrophobicContact CD1-CZ 3.87Å; L553-F557 HydrophobicContact CD2-CE2 3.91Å; L553-F557 HydrophobicContact CD2-CZ 4.42Å; L553-F557 HydrophobicContact CG-CD2 4.01Å; L553-F557 HydrophobicContact CG-CE2 3.58Å; L553-F557 HydrophobicContact CG-CZ 4.12Å; L553-F557 WeakPolarHBondContact O-CD2 3.36Å; L553-F557 PolarHBondContact O-N 3.02Å; G554-F557 PolarHBondContact O-N 3.28Å; A555-F557 VanDerWaalsContact C-N 3.31Å; A555-F557 PolarHBondContact O-N 3Å; F557-E559 PolarHBondContact O-N 3.45Å; F557-M560 PolarHBondContact O-N 2.99Å; F557-Y561 HydrophobicContact CB-CD2 3.98Å; F557-Y561 HydrophobicContact CB-CE2 3.93Å; F557-Y561 HydrophobicContact CD1-CE2 4.27Å; F557-Y561 HydrophobicContact CG-CE2 4.2Å; F557-Y561 WeakPolarHBondContact O-CD2 3.43Å; F557-Y561 PolarHBondContact O-N 3.14Å
558	S	87.6	Confident	85.1	Confident	27 Å²	27	35.5 Å²	35.5	19%	0.189	16%	0.164	C	C	.	.	H	α-helix	trans	-52.8	-42.5	174.5	-162.8	0	0	0	0	111.4	Y249 G554 A555 L556 H562	Y249-S558 PolarHBondContact OH-OG 2.92Å; Y249-S558 VanDerWaalsContact OH-OG 3.08Å; G554-S558 PolarHBondContact O-N 3.45Å; A555-S558 VanDerWaalsContact O-CB 3.31Å; A555-S558 WeakPolarHBondContact O-CB 3.26Å; A555-S558 PolarHBondContact O-N 3.38Å; L556-S558 VanDerWaalsContact C-N 3.32Å; L556-S558 PolarHBondContact O-N 3.37Å; S558-H562 PolarHBondContact O-CD2 3.5Å
559	E	86.4	Confident	84.8	Confident	39 Å²	39	35.5 Å²	35.5	18%	0.182	16%	0.163	C	C	.	.	H	α-helix	trans	-74.9	-28	178.3	-59.2	-61.4	151	0	0	113.5	I200 R202 L234 A555 L556 F557	I200-E559 HydrophobicContact CD1-CG 4.01Å; I200-E559 HydrophobicContact CG2-CG 3.99Å; R202-E559 IonicContact CZ-OE1 2.67Å; R202-E559 IonicContact NH2-OE1 3.47Å; R202-E559 PolarHBondContact NH2-OE1 3.38Å; L234-E559 HydrophobicContact CD1-CB 4.11Å; L234-E559 HydrophobicContact CD1-CG 4.5Å; A555-E559 PolarHBondContact O-N 3.38Å; L556-E559 PolarHBondContact O-N 2.81Å; L556-E559 VanDerWaalsContact O-N 3.15Å; F557-E559 PolarHBondContact O-N 3.45Å
560	M	82	Confident	84.3	Confident	23 Å²	23	37.1 Å²	37.1	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-80.7	-36.2	-179.3	-71.6	178.5	55.3	0	0	113.3	V120 F150 L556 F557	V120-M560 HydrophobicContact CB-CE 4.39Å; V120-M560 HydrophobicContact CG1-CE 3.55Å; V120-M560 HydrophobicContact CG1-SD 4.35Å; F150-M560 HydrophobicContact CD1-CE 3.9Å; F150-M560 HydrophobicContact CE1-CE 3.23Å; F150-M560 HydrophobicContact CE2-CE 4.33Å; F150-M560 HydrophobicContact CZ-CE 3.51Å; L556-M560 HydrophobicContact CD1-CG 4.15Å; L556-M560 HydrophobicContact CD1-SD 3.88Å; L556-M560 HydrophobicContact CD2-SD 4.1Å; L556-M560 HydrophobicContact CG-CG 4.34Å; L556-M560 HydrophobicContact CG-SD 3.68Å; L556-M560 WeakPolarHBondContact O-CG 3.49Å; L556-M560 PolarHBondContact O-N 2.77Å; F557-M560 PolarHBondContact O-N 2.99Å
561	Y	72.2	Confident	83.6	Confident	105 Å²	105	38.5 Å²	38.5	41%	0.412	18%	0.175	S	C	.	.	H	α-helix	trans	-78.6	-14.4	179.1	-77.3	-73.2	0	0	0	113.9	P149 F150 F557 K563	P149-Y561 HydrophobicContact CG-CE1 3.83Å; P149-Y561 WeakPolarHBondContact CG-OH 3.35Å; F150-Y561 HydrophobicContact CD2-CE1 4.42Å; F150-Y561 HydrophobicContact CD2-CE2 4.16Å; F150-Y561 AromaticContact CD2-CZ 3.79Å; F150-Y561 AromaticContact CE2-CE1 3.93Å; F150-Y561 HydrophobicContact CE2-CE1 3.93Å; F150-Y561 HydrophobicContact CE2-CE2 4.09Å; F150-Y561 AromaticContact CE2-CZ 3.7Å; F557-Y561 HydrophobicContact CB-CD2 3.98Å; F557-Y561 HydrophobicContact CB-CE2 3.93Å; F557-Y561 HydrophobicContact CD1-CE2 4.27Å; F557-Y561 HydrophobicContact CG-CE2 4.2Å; F557-Y561 WeakPolarHBondContact O-CD2 3.43Å; F557-Y561 PolarHBondContact O-N 3.14Å; Y561-K563 VanDerWaalsContact C-N 3.29Å
562	H	59	Low	82.6	Confident	107 Å²	107	41.2 Å²	41.2	50%	0.495	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10	176.5	-76	-49	0	0	0	114.2	S558	S558-H562 PolarHBondContact O-CD2 3.5Å
563	K	39	Very low	81.3	Confident	182 Å²	182	44.9 Å²	44.9	79%	0.791	21%	0.205	S	C	*	.			trans	-93	0	164.7	-69.4	179.4	-175.3	161.7	0	109.9	Y561	Y561-K563 VanDerWaalsContact C-N 3.29Å

Retrieved 563 of 563 residues in 1037 ms (Link to these results)

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