A0A087Y2V5_POEFO Loading...

Beta-hexosaminidase

Hydrolyzes the non-reducing end N-acetyl-D-hexosamine and/or sulfated N-acetyl-D-hexosamine of glycoconjugates, such as the oligosaccharide moieties from proteins and neutral glycolipids, or from certain mucopolysaccharides. The isozyme B does not hydrolyze each of these substrates, however hydrolyzes efficiently neutral oligosaccharide. Only the isozyme A is responsible for the degradation of GM2 gangliosides in the presence of GM2A. During fertilization is responsible, at least in part, for the zona block to polyspermy. Present in the cortical granules of non-activated oocytes, is exocytosed during the cortical reaction in response to oocyte activation and inactivates the sperm galactosyltransferase-binding site, accounting for the block in sperm binding to the zona pellucida.

AlphaFold DB , UniProt , Accession A0A087Y2V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35.4	Very low	33	Very low	237 Å²	237	152.4 Å²	152.4	100%	1.167	83%	0.828	S	S	*	*				0	128.7	0	-103	155.4	64.8	0	0	108.1
2	N	33.3	Very low	32.9	Very low	150 Å²	150	152.1 Å²	152.1	80%	0.802	82%	0.824	S	S	*	*			trans	70.5	98.9	169.7	-67.1	1.9	0	0	0	119.8
3	S	33.7	Very low	32.9	Very low	118 Å²	118	148.1 Å²	148.1	83%	0.825	83%	0.825	S	S	*	*			trans	-68.4	138.2	150.5	-174.8	0	0	0	0	109.8
4	L	34.4	Very low	33	Very low	153 Å²	153	148.9 Å²	148.9	80%	0.801	83%	0.825	S	S	*	*			trans	-155.3	140.3	158.7	-110.7	130.5	0	0	0	112.5
5	L	34.9	Very low	33	Very low	135 Å²	135	143.9 Å²	143.9	71%	0.707	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-55.1	142.5	-165.2	-75	70.7	0	0	0	115.6	F7	L5-F7 HydrophobicContact CD2-CE2 4.5Å
6	G	31.1	Very low	33	Very low	78 Å²	78	141.7 Å²	141.7	80%	0.804	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-80.9	127.9	159.5	0	0	0	0	0	111.1
7	F	33.9	Very low	33	Very low	176 Å²	176	141.2 Å²	141.2	77%	0.772	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-103.9	120.8	168.8	-98.3	-88.8	0	0	0	109.5	L5	L5-F7 HydrophobicContact CD2-CE2 4.5Å
8	T	30.9	Very low	33.1	Very low	131 Å²	131	145.9 Å²	145.9	80%	0.804	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.8	117.1	172.6	-45.8	0	0	0	0	109
9	F	32.1	Very low	33	Very low	190 Å²	190	142.2 Å²	142.2	83%	0.833	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-89.5	118.6	168.6	-98.4	-87.5	0	0	0	109.7
10	I	31.8	Very low	33.1	Very low	142 Å²	142	142.9 Å²	142.9	73%	0.728	82%	0.821	S	S	*	*			trans	-80.2	113.6	168.9	-67	171.5	0	0	0	107.3	L12	I10-L12 PolarHBondContact O-N 3.21Å
11	L	31.7	Very low	33.2	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	82%	0.816	S	S	*	*			trans	-81.4	110	168.4	-100.6	121.1	0	0	0	109.1	A13	L11-A13 PolarHBondContact O-N 3.12Å
12	L	31.4	Very low	33.2	Very low	149 Å²	149	139.1 Å²	139.1	78%	0.78	80%	0.798	S	S	*	*			trans	-70.4	113.8	162.6	-96.8	99.8	0	0	0	109.1	I10 L14	I10-L12 PolarHBondContact O-N 3.21Å; L12-L14 PolarHBondContact O-N 3.42Å
13	A	32.5	Very low	33.3	Very low	100 Å²	100	136.6 Å²	136.6	83%	0.826	79%	0.785	S	S	*	*			trans	-75	104.4	164.8	0	0	0	0	0	109.4	L11 G15	L11-A13 PolarHBondContact O-N 3.12Å; A13-G15 PolarHBondContact O-N 2.93Å
14	L	34.6	Very low	33.4	Very low	159 Å²	159	139.1 Å²	139.1	83%	0.832	79%	0.789	S	S	*	*			trans	-74.7	99.4	163.1	-82.6	156.8	0	0	0	108.2	L12 S16	L12-L14 PolarHBondContact O-N 3.42Å; L14-S16 PolarHBondContact O-N 3.43Å; L14-S16 VanDerWaalsContact O-N 3.09Å
15	G	32.6	Very low	33.8	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	78%	0.781	S	S	*	*			trans	-65.5	103.6	168.2	0	0	0	0	0	109.8	A13 C17	A13-G15 PolarHBondContact O-N 2.93Å; G15-C17 PolarHBondContact O-N 3.04Å
16	S	33.3	Very low	34.1	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	79%	0.787	S	S	*	*			trans	-72.2	101.7	163.7	-71	0	0	0	0	108.2	L14 R18	L14-S16 PolarHBondContact O-N 3.43Å; L14-S16 VanDerWaalsContact O-N 3.09Å; S16-R18 VanDerWaalsContact C-N 3.27Å; S16-R18 PolarHBondContact O-N 3.18Å
17	C	33.1	Very low	35	Very low	133 Å²	133	142.9 Å²	142.9	90%	0.899	79%	0.79	S	S	*	*			trans	-68.1	91.9	159.4	-83.8	0	0	0	0	107.7	G15 G19	G15-C17 PolarHBondContact O-N 3.04Å; C17-G19 VanDerWaalsContact C-N 3.33Å; C17-G19 PolarHBondContact O-N 3.27Å
18	R	34.7	Very low	36.2	Very low	226 Å²	226	139.8 Å²	139.8	85%	0.853	78%	0.778	S	S	*	*			trans	-76.2	93.9	157.6	-79.7	-175.3	175.2	-175.4	-2.3	106.7	S16 L20	S16-R18 VanDerWaalsContact C-N 3.27Å; S16-R18 PolarHBondContact O-N 3.18Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.03Å
19	G	30.8	Very low	37.6	Very low	75 Å²	75	138.9 Å²	138.9	77%	0.773	77%	0.774	S	S	*	*			trans	-65.6	97.5	158.6	0	0	0	0	0	107.6	C17 Q21	C17-G19 VanDerWaalsContact C-N 3.33Å; C17-G19 PolarHBondContact O-N 3.27Å; G19-Q21 VanDerWaalsContact C-N 3.32Å; G19-Q21 PolarHBondContact O-N 2.9Å; G19-Q21 VanDerWaalsContact O-N 3.16Å
20	L	35.4	Very low	39.6	Very low	157 Å²	157	137.5 Å²	137.5	82%	0.822	77%	0.77	S	S	*	*			trans	-71.8	96.2	160.2	-90	152.6	0	0	0	106	R18	R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.03Å
21	Q	35.1	Very low	42.1	Very low	150 Å²	150	132.1 Å²	132.1	70%	0.701	74%	0.743	S	S	*	*			trans	-98.7	99.3	161.8	-159	173	-20.9	0	0	105.3	G19 N23	G19-Q21 VanDerWaalsContact C-N 3.32Å; G19-Q21 PolarHBondContact O-N 2.9Å; G19-Q21 VanDerWaalsContact O-N 3.16Å; Q21-N23 WeakPolarHBondContact CG-OD1 3.45Å; Q21-N23 PolarHBondContact NE2-ND2 3.33Å; Q21-N23 PolarHBondContact NE2-OD1 3.04Å; Q21-N23 VanDerWaalsContact NE2-OD1 3.15Å; Q21-N23 PolarHBondContact O-N 3.33Å
22	D	35.4	Very low	44.6	Very low	151 Å²	151	128.8 Å²	128.8	81%	0.807	73%	0.729	S	S	*	*			trans	-62.8	89.9	162.3	-94.1	-20.3	0	0	0	106.5
23	N	36.7	Very low	47.3	Very low	97 Å²	97	126.1 Å²	126.1	52%	0.519	71%	0.711	S	S	.	*			trans	-100.9	80	164.6	-77	-17.7	0	0	0	106.5	Q21 V25	Q21-N23 WeakPolarHBondContact CG-OD1 3.45Å; Q21-N23 PolarHBondContact NE2-ND2 3.33Å; Q21-N23 PolarHBondContact NE2-OD1 3.04Å; Q21-N23 VanDerWaalsContact NE2-OD1 3.15Å; Q21-N23 PolarHBondContact O-N 3.33Å; N23-V25 HydrophobicContact CB-CG2 4.1Å; N23-V25 PolarHBondContact O-N 3.46Å
24	D	34.9	Very low	50.1	Low	171 Å²	171	127.3 Å²	127.3	91%	0.914	70%	0.7	S	S	*	*			trans	-70	62	150.1	-94.6	-22.3	0	0	0	107.5
25	V	43.4	Very low	52.7	Low	102 Å²	102	125 Å²	125	62%	0.618	69%	0.694	S	S	*	*			trans	-92	109.8	159.9	-177.9	0	0	0	0	102.8	N23 E27	N23-V25 HydrophobicContact CB-CG2 4.1Å; N23-V25 PolarHBondContact O-N 3.46Å; V25-E27 VanDerWaalsContact C-N 3.34Å; V25-E27 PolarHBondContact O-N 3.23Å
26	D	41.3	Very low	55.5	Low	157 Å²	157	122.1 Å²	122.1	84%	0.84	66%	0.662	S	S	*	*			trans	-45.5	105.1	165	-75.4	-48.9	0	0	0	107	E28	D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 3.38Å
27	E	49.1	Very low	58.4	Low	186 Å²	186	124.5 Å²	124.5	87%	0.869	66%	0.659	S	S	*	*			trans	-63.3	95.2	178.9	-80.9	-177.2	162.7	0	0	106.5	V25	V25-E27 VanDerWaalsContact C-N 3.34Å; V25-E27 PolarHBondContact O-N 3.23Å
28	E	58.3	Low	61.3	Low	111 Å²	111	121 Å²	121	52%	0.519	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-52.6	131.3	167.3	-82.2	-150.8	150.1	0	0	107	D26 E30 K454	D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 3.38Å; E28-E30 PolarHBondContact O-N 3.06Å; E28-K454 IonicContact OE1-NZ 3.98Å; E28-K454 PolarHBondContact OE1-NZ 2.68Å; E28-K454 IonicContact OE2-NZ 3.84Å
29	P	61.6	Low	63.9	Low	111 Å²	111	111.9 Å²	111.9	72%	0.721	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-56.4	129.3	-173.3	20.4	-31.2	0	0	0	110.2	L31	P29-L31 PolarHBondContact O-N 3.42Å; P29-L31 VanDerWaalsContact O-N 3.12Å
30	E	73.8	Confident	66.9	Low	161 Å²	161	109.4 Å²	109.4	75%	0.752	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-58.5	117.7	-178.8	-163.3	176.8	-168	0	0	109.7	E28 V32	E28-E30 PolarHBondContact O-N 3.06Å; E30-V32 PolarHBondContact O-N 3.25Å
31	L	83.6	Confident	69.9	Low	29 Å²	29	102 Å²	102	15%	0.152	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-71.6	118.5	179.6	-66	173.8	0	0	0	109.3	P29 W449 L450 F516	P29-L31 PolarHBondContact O-N 3.42Å; P29-L31 VanDerWaalsContact O-N 3.12Å; L31-W449 HydrophobicContact CD1-CH2 4.47Å; L31-W449 HydrophobicContact CD1-CZ2 3.89Å; L31-L450 HydrophobicContact CD1-CD1 3.85Å; L31-L450 HydrophobicContact CD1-CD2 3.78Å; L31-L450 HydrophobicContact CD1-CG 4.29Å; L31-F516 HydrophobicContact CB-CB 4.24Å; L31-F516 HydrophobicContact CB-CD1 3.93Å; L31-F516 HydrophobicContact CB-CD2 4.04Å; L31-F516 HydrophobicContact CB-CE1 4.32Å; L31-F516 HydrophobicContact CB-CE2 4.42Å; L31-F516 HydrophobicContact CB-CG 3.78Å; L31-F516 HydrophobicContact CD1-CB 3.96Å; L31-F516 HydrophobicContact CD1-CD2 4.18Å; L31-F516 HydrophobicContact CD1-CG 4.16Å
32	V	84.6	Confident	72.9	Confident	96 Å²	96	94.9 Å²	94.9	58%	0.582	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-101.9	133.4	179.8	-177.4	0	0	0	0	109.4	E30 Q34	E30-V32 PolarHBondContact O-N 3.25Å; V32-Q34 PolarHBondContact O-N 3.26Å
33	F	89.1	Confident	75.9	Confident	94 Å²	94	87.7 Å²	87.7	41%	0.412	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-61.8	123.2	176.4	-178.5	-91.8	0	0	0	110.7	P35 F516 S517 L521	F33-P35 HydrophobicContact CE1-CG 4.39Å; F33-F516 HydrophobicContact CB-CE1 4.17Å; F33-S517 WeakPolarHBondContact CE2-O 3.46Å; F33-L521 HydrophobicContact CE2-CD1 4.29Å; F33-L521 HydrophobicContact CE2-CD2 4.17Å; F33-L521 HydrophobicContact CE2-CG 3.98Å; F33-L521 HydrophobicContact CZ-CD1 4.18Å; F33-L521 HydrophobicContact CZ-CD2 4.16Å; F33-L521 HydrophobicContact CZ-CG 4.23Å
34	Q	90.1	Very high	78.9	Confident	125 Å²	125	83.5 Å²	83.5	58%	0.584	44%	0.442	S	S	*	.			trans	-130.9	129.1	172.5	-65.9	-61.9	-34.3	0	0	108.9	V32 S36 S517	V32-Q34 PolarHBondContact O-N 3.26Å; Q34-S36 PolarHBondContact O-N 2.6Å; Q34-S36 VanDerWaalsContact O-N 3.11Å; Q34-S517 PolarHBondContact N-OG 3.34Å; Q34-S517 WeakPolarHBondContact O-CB 3.48Å; Q34-S517 PolarHBondContact O-OG 3.03Å
35	P	89.6	Confident	81.9	Confident	109 Å²	109	75.6 Å²	75.6	71%	0.708	40%	0.4	S	S	*	.			trans	-52.4	121.6	-178.6	-27.2	34.6	0	0	0	112	F33	F33-P35 HydrophobicContact CE1-CG 4.39Å
36	S	92.6	Very high	84.5	Confident	16 Å²	16	72.5 Å²	72.5	11%	0.112	38%	0.379	C	S	.	.			trans	-75.8	139.4	174.4	179	0	0	0	0	109.8	Q34 Y38 G39 D514	Q34-S36 PolarHBondContact O-N 2.6Å; Q34-S36 VanDerWaalsContact O-N 3.11Å; S36-Y38 PolarHBondContact O-N 3.24Å; S36-Y38 VanDerWaalsContact O-N 3.14Å; S36-Y38 PolarHBondContact OG-N 2.91Å; S36-Y38 VanDerWaalsContact OG-N 3.11Å; S36-G39 PolarHBondContact O-N 3.22Å; S36-D514 WeakPolarHBondContact CB-OD1 3.04Å; S36-D514 PolarHBondContact OG-OD1 2.96Å
37	K	92.3	Very high	87.2	Confident	157 Å²	157	69.7 Å²	69.7	68%	0.683	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.4	169.8	70.2	-178.3	-172.8	178.6	0	113.1
38	Y	93.9	Very high	89.6	Confident	59 Å²	59	62.1 Å²	62.1	23%	0.231	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	9.5	175.1	-51	-65.3	0	0	0	112.6	S36 S40 L41 L44 V48	S36-Y38 PolarHBondContact O-N 3.24Å; S36-Y38 VanDerWaalsContact O-N 3.14Å; S36-Y38 PolarHBondContact OG-N 2.91Å; S36-Y38 VanDerWaalsContact OG-N 3.11Å; Y38-S40 PolarHBondContact O-N 3.24Å; Y38-L41 WeakPolarHBondContact O-CG 3.4Å; Y38-L41 PolarHBondContact O-N 3.23Å; Y38-L44 HydrophobicContact CD1-CD1 4.02Å; Y38-L44 HydrophobicContact CD2-CD1 3.71Å; Y38-L44 HydrophobicContact CD2-CD2 4.05Å; Y38-L44 HydrophobicContact CE2-CD1 4.27Å; Y38-L44 HydrophobicContact CE2-CD2 3.94Å; Y38-L44 HydrophobicContact CG-CD1 3.54Å; Y38-V48 HydrophobicContact CD1-CB 4.11Å; Y38-V48 HydrophobicContact CD1-CG1 4.03Å; Y38-V48 HydrophobicContact CE1-CB 4.16Å; Y38-V48 HydrophobicContact CE1-CG1 4.49Å
39	G	90.7	Very high	91.5	Very high	36 Å²	36	63.7 Å²	63.7	37%	0.371	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	-115	179.2	0	0	0	0	0	112.1	S36	S36-G39 PolarHBondContact O-N 3.22Å
40	S	92.4	Very high	93.1	Very high	23 Å²	23	61.3 Å²	61.3	16%	0.161	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	24.4	-175.7	55.2	0	0	0	0	112.8	Y38 W42 Q164 L521 R525	Y38-S40 PolarHBondContact O-N 3.24Å; S40-W42 PolarHBondContact O-N 2.97Å; S40-Q164 PolarHBondContact OG-O 3.43Å; S40-L521 VanDerWaalsContact CB-CB 3.42Å; S40-R525 VanDerWaalsContact CB-NH2 3.27Å; S40-R525 PolarHBondContact O-NH2 3.49Å; S40-R525 PolarHBondContact OG-NH2 3.29Å
41	L	98.5	Very high	94.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.3	C	S	.	.			trans	-63.7	124.6	177.2	-72.6	173.6	0	0	0	110.9	Y38 L44 P45 V48 I50 T161 Q164 L165 R518	Y38-L41 WeakPolarHBondContact O-CG 3.4Å; Y38-L41 PolarHBondContact O-N 3.23Å; L41-L44 HydrophobicContact CB-CD1 4.33Å; L41-P45 HydrophobicContact CD1-CG 4.37Å; L41-V48 HydrophobicContact CD1-CG1 4.09Å; L41-V48 HydrophobicContact CD1-CG2 4.29Å; L41-I50 HydrophobicContact CD1-CD1 4.49Å; L41-T161 HydrophobicContact CD2-CG2 3.95Å; L41-Q164 HydrophobicContact CD2-CB 3.97Å; L41-L165 HydrophobicContact CD1-CD2 4.05Å; L41-L165 HydrophobicContact CD2-CD2 3.86Å; L41-L165 HydrophobicContact CD2-CG 4.18Å; L41-L165 HydrophobicContact CG-CD2 4.15Å; L41-R518 WeakPolarHBondContact O-CD 3.26Å; L41-R518 PolarHBondContact O-NH1 3.49Å
42	W	98.8	Very high	94.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-152.5	123.2	176.7	-164.2	-76.8	0	0	0	111.7	S40 Q164 Y453 S497 E501 A515 R518 L519 H522	S40-W42 PolarHBondContact O-N 2.97Å; W42-Q164 PolarHBondContact O-NE2 3.2Å; W42-Q164 PolarHBondContact O-OE1 3.44Å; W42-Q164 VanDerWaalsContact O-OE1 3.14Å; W42-Y453 HydrophobicContact CH2-CD2 4.31Å; W42-Y453 HydrophobicContact CH2-CE2 4.06Å; W42-S497 WeakPolarHBondContact CZ2-O 3.27Å; W42-S497 PolarHBondContact NE1-O 2.98Å; W42-E501 HydrophobicContact CH2-CB 4.2Å; W42-E501 WeakPolarHBondContact CH2-OE1 3.3Å; W42-E501 HydrophobicContact CZ2-CB 3.55Å; W42-E501 HydrophobicContact CZ2-CG 4.29Å; W42-E501 WeakPolarHBondContact CZ3-OE1 3.38Å; W42-A515 HydrophobicContact CH2-CB 4.18Å; W42-A515 HydrophobicContact CZ3-CB 4.06Å; W42-A515 VanDerWaalsContact CZ3-O 3.3Å; W42-A515 WeakPolarHBondContact CZ3-O 3.2Å; W42-R518 HydrophobicContact CE3-CB 3.95Å; W42-R518 HydrophobicContact CZ3-CB 4.35Å; W42-L519 HydrophobicContact CD2-CB 4.47Å; W42-L519 HydrophobicContact CD2-CD1 3.84Å; W42-L519 HydrophobicContact CE3-CB 3.85Å; W42-L519 HydrophobicContact CE3-CD1 4.09Å; W42-L519 HydrophobicContact CG-CD1 4.46Å; W42-L519 HydrophobicContact CH2-CB 3.89Å; W42-L519 HydrophobicContact CH2-CD1 4.05Å; W42-L519 HydrophobicContact CH2-CD2 4.06Å; W42-L519 HydrophobicContact CH2-CG 4.21Å; W42-L519 HydrophobicContact CZ2-CB 4.48Å; W42-L519 HydrophobicContact CZ2-CD1 3.78Å; W42-L519 HydrophobicContact CZ2-CD2 4.26Å; W42-L519 HydrophobicContact CZ2-CG 4.39Å; W42-L519 HydrophobicContact CZ3-CB 3.55Å; W42-L519 HydrophobicContact CZ3-CD1 4.21Å; W42-L519 HydrophobicContact CZ3-CG 4.31Å; W42-H522 HydrophobicContact CB-CB 3.82Å; W42-H522 AromaticContact CD1-CD2 3.67Å; W42-H522 AromaticContact CD1-NE2 3.86Å; W42-H522 HydrophobicContact CG-CB 4.26Å; W42-H522 AromaticContact CG-CD2 3.76Å
43	P	98.8	Very high	95	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	S	Bend	cis	-56.8	154.2	-14.8	-29	39.1	0	0	0	113.8	P45 A500 E501 W504	P43-P45 WeakPolarHBondContact O-CD 3.3Å; P43-A500 HydrophobicContact CG-CB 4.39Å; P43-E501 WeakPolarHBondContact CA-OE2 3.33Å; P43-E501 HydrophobicContact CB-CB 4.26Å; P43-E501 HydrophobicContact CB-CG 4.37Å; P43-W504 HydrophobicContact CB-CB 3.71Å; P43-W504 HydrophobicContact CB-CG 3.75Å; P43-W504 HydrophobicContact CG-CB 3.82Å; P43-W504 HydrophobicContact CG-CG 4.05Å
44	L	98.8	Very high	95.3	Very high	10 Å²	10	60 Å²	60	5%	0.052	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-67.6	123.9	173.6	-172	66.2	0	0	0	111.1	Y38 L41 V48 E501 S505 V509	Y38-L44 HydrophobicContact CD1-CD1 4.02Å; Y38-L44 HydrophobicContact CD2-CD1 3.71Å; Y38-L44 HydrophobicContact CD2-CD2 4.05Å; Y38-L44 HydrophobicContact CE2-CD1 4.27Å; Y38-L44 HydrophobicContact CE2-CD2 3.94Å; Y38-L44 HydrophobicContact CG-CD1 3.54Å; L41-L44 HydrophobicContact CB-CD1 4.33Å; L44-V48 HydrophobicContact CD1-CG2 4.44Å; L44-E501 PolarHBondContact N-OE2 3.13Å; L44-S505 PolarHBondContact N-OG 3.21Å; L44-S505 WeakPolarHBondContact O-CB 3.25Å; L44-S505 PolarHBondContact O-OG 2.79Å; L44-V509 HydrophobicContact CB-CG1 4.24Å; L44-V509 HydrophobicContact CD2-CG1 3.84Å; L44-V509 HydrophobicContact CD2-CG2 3.95Å
45	P	98.8	Very high	95.5	Very high	5 Å²	5	54 Å²	54	3%	0.032	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-62.1	158.1	178.1	-25.3	34.6	0	0	0	114	L41 P43 N47 V48 T161 I181 D183	L41-P45 HydrophobicContact CD1-CG 4.37Å; P43-P45 WeakPolarHBondContact O-CD 3.3Å; P45-N47 PolarHBondContact O-N 3.09Å; P45-V48 HydrophobicContact CB-CG2 3.59Å; P45-V48 HydrophobicContact CG-CG2 3.74Å; P45-T161 HydrophobicContact CG-CG2 4.3Å; P45-I181 HydrophobicContact CB-CG2 3.75Å; P45-I181 HydrophobicContact CG-CD1 4.33Å; P45-I181 HydrophobicContact CG-CG2 4.08Å; P45-D183 WeakPolarHBondContact CA-OD1 3.35Å; P45-D183 HydrophobicContact CB-CB 3.9Å; P45-D183 VanDerWaalsContact CB-CG 3.43Å; P45-D183 WeakPolarHBondContact CB-OD2 3.07Å
46	Q	98.4	Very high	95.8	Very high	37 Å²	37	53.7 Å²	53.7	17%	0.173	29%	0.289	C	S	.	.	S	Bend	trans	-56.1	-46.1	178	-60.9	-65.3	-24.8	0	0	112.7	D183 F184 W504	Q46-D183 PolarHBondContact N-OD1 3.25Å; Q46-F184 HydrophobicContact CB-CD1 4.41Å; Q46-F184 HydrophobicContact CB-CE1 4.05Å; Q46-F184 HydrophobicContact CB-CZ 4.25Å; Q46-F184 HydrophobicContact CG-CD1 3.9Å; Q46-F184 HydrophobicContact CG-CD2 3.98Å; Q46-F184 HydrophobicContact CG-CE1 3.81Å; Q46-F184 HydrophobicContact CG-CE2 3.89Å; Q46-F184 HydrophobicContact CG-CG 3.98Å; Q46-F184 HydrophobicContact CG-CZ 3.8Å; Q46-F184 WeakPolarHBondContact CG-O 3.1Å; Q46-F184 PolarHBondContact NE2-O 2.83Å; Q46-W504 PolarHBondContact NE2-O 3.46Å
47	N	98.4	Very high	95.9	Very high	97 Å²	97	53.4 Å²	53.4	52%	0.519	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127	177.3	-61.2	-80.3	0	0	0	110.2	P45 I181 S182	P45-N47 PolarHBondContact O-N 3.09Å; N47-I181 WeakPolarHBondContact O-CA 3.16Å; N47-S182 PolarHBondContact N-O 3.36Å; N47-S182 PolarHBondContact O-N 2.98Å; N47-S182 VanDerWaalsContact O-N 3.15Å
48	V	98.1	Very high	95.8	Very high	27 Å²	27	48.2 Å²	48.2	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.7	-179.3	-175.4	0	0	0	0	109.8	Y38 L41 L44 P45 I50 I181	Y38-V48 HydrophobicContact CD1-CB 4.11Å; Y38-V48 HydrophobicContact CD1-CG1 4.03Å; Y38-V48 HydrophobicContact CE1-CB 4.16Å; Y38-V48 HydrophobicContact CE1-CG1 4.49Å; L41-V48 HydrophobicContact CD1-CG1 4.09Å; L41-V48 HydrophobicContact CD1-CG2 4.29Å; L44-V48 HydrophobicContact CD1-CG2 4.44Å; P45-V48 HydrophobicContact CB-CG2 3.59Å; P45-V48 HydrophobicContact CG-CG2 3.74Å; V48-I50 HydrophobicContact CG1-CD1 3.71Å; V48-I50 HydrophobicContact CG1-CG1 3.71Å; V48-I181 HydrophobicContact CB-CG1 4.39Å; V48-I181 HydrophobicContact CG1-CD1 4.44Å; V48-I181 HydrophobicContact CG1-CG1 4.1Å; V48-I181 HydrophobicContact CG2-CG1 4.19Å
49	Q	97.8	Very high	95.6	Very high	144 Å²	144	47.6 Å²	47.6	67%	0.673	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	105.9	170.4	-64	-178.3	-1.9	0	0	108.7	T179 V180	Q49-T179 CarbonylContact O-C 3.57Å; Q49-T179 VanDerWaalsContact O-CA 3.28Å; Q49-T179 WeakPolarHBondContact O-CA 3.32Å; Q49-V180 HydrophobicContact CB-CB 4.46Å; Q49-V180 PolarHBondContact N-O 3.33Å; Q49-V180 PolarHBondContact O-N 3.24Å
50	I	96.2	Very high	95.4	Very high	61 Å²	61	47.9 Å²	47.9	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131	177.7	-64	161.2	0	0	0	108.3	L41 V48 N177 T179	L41-I50 HydrophobicContact CD1-CD1 4.49Å; V48-I50 HydrophobicContact CG1-CD1 3.71Å; V48-I50 HydrophobicContact CG1-CG1 3.71Å; I50-N177 HydrophobicContact CG2-CB 3.7Å; I50-T179 HydrophobicContact CG1-CG2 3.84Å
51	S	94.9	Very high	95.2	Very high	52 Å²	52	48.3 Å²	48.3	36%	0.364	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	162.5	174	-174.8	0	0	0	0	111.3	V53 N177 S178	S51-V53 PolarHBondContact O-N 3.4Å; S51-V53 PolarHBondContact OG-N 2.99Å; S51-N177 WeakPolarHBondContact O-CB 3.46Å; S51-N177 PolarHBondContact O-ND2 3.4Å; S51-S178 WeakPolarHBondContact CB-O 3.03Å; S51-S178 PolarHBondContact N-O 3.3Å
52	D	92.6	Very high	95	Very high	160 Å²	160	48.5 Å²	48.5	86%	0.856	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	-8	171.3	-63.1	-34.9	0	0	0	112.9	S54	D52-S54 PolarHBondContact O-N 2.89Å
53	V	94.7	Very high	94.8	Very high	80 Å²	80	50.4 Å²	50.4	49%	0.485	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	113.8	177.2	179.1	0	0	0	0	109.7	S51 L55 N177 S178	S51-V53 PolarHBondContact O-N 3.4Å; S51-V53 PolarHBondContact OG-N 2.99Å; V53-L55 HydrophobicContact CG1-CD2 4.43Å; V53-N177 CarbonylContact O-C 3.44Å; V53-N177 WeakPolarHBondContact O-CA 3.27Å; V53-S178 PolarHBondContact O-N 3.49Å
54	S	94.3	Very high	94.8	Very high	60 Å²	60	51.3 Å²	51.3	42%	0.42	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.2	178.6	60.6	0	0	0	0	112.6	D52	D52-S54 PolarHBondContact O-N 2.89Å
55	L	96	Very high	94.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.8	180	-54	177.9	0	0	0	109.8	V53 T108 L110 V140 Q142 T175 I176	V53-L55 HydrophobicContact CG1-CD2 4.43Å; L55-T108 CarbonylContact C-O 3.53Å; L55-T108 VanDerWaalsContact CA-O 3.26Å; L55-T108 WeakPolarHBondContact CA-O 3.41Å; L55-L110 HydrophobicContact CB-CB 4.25Å; L55-L110 HydrophobicContact CD1-CB 4.49Å; L55-V140 HydrophobicContact CD1-CG1 4.2Å; L55-Q142 HydrophobicContact CD1-CB 4.27Å; L55-Q142 HydrophobicContact CD2-CB 3.97Å; L55-Q142 HydrophobicContact CD2-CG 4.3Å; L55-T175 CarbonylContact O-C 3.58Å; L55-T175 WeakPolarHBondContact O-CA 3Å; L55-T175 WeakPolarHBondContact O-CG2 3.37Å; L55-I176 HydrophobicContact CB-CG2 3.95Å; L55-I176 PolarHBondContact N-O 3.16Å; L55-I176 PolarHBondContact O-N 3.43Å
56	K	94.9	Very high	94.6	Very high	102 Å²	102	54.3 Å²	54.3	44%	0.443	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139	-177.3	-62.5	-175.8	-179.5	-174.1	0	111.1	T108 L110 T173	K56-T108 PolarHBondContact N-O 2.9Å; K56-L110 PolarHBondContact O-N 3.3Å; K56-T173 HydrophobicContact CD-CG2 4.42Å; K56-T173 HydrophobicContact CG-CG2 4.47Å
57	L	94.4	Very high	94.5	Very high	9 Å²	9	53.2 Å²	53.2	5%	0.047	31%	0.306	C	S	.	.			trans	-114.5	139.5	172.3	-54.3	86.6	0	0	0	110.1	F62 F91 L110 F162 V166 K174 I176	L57-F62 HydrophobicContact CD2-CD2 4Å; L57-F62 HydrophobicContact CD2-CE2 3.96Å; L57-F62 HydrophobicContact CD2-CG 4.38Å; L57-F62 HydrophobicContact CD2-CZ 4.28Å; L57-F91 HydrophobicContact CB-CE1 4.18Å; L57-F91 HydrophobicContact CB-CZ 4.01Å; L57-F91 HydrophobicContact CD2-CZ 4.47Å; L57-L110 HydrophobicContact CD2-CD2 4.13Å; L57-L110 HydrophobicContact CG-CB 4.39Å; L57-L110 HydrophobicContact CG-CD2 4.24Å; L57-F162 HydrophobicContact CD2-CE1 4.39Å; L57-F162 HydrophobicContact CD2-CZ 4.14Å; L57-V166 HydrophobicContact CD1-CG1 4.35Å; L57-V166 HydrophobicContact CD1-CG2 4.41Å; L57-V166 HydrophobicContact CD2-CG2 4.07Å; L57-K174 HydrophobicContact CB-CB 4.26Å; L57-K174 PolarHBondContact N-O 2.69Å; L57-I176 HydrophobicContact CD1-CB 3.81Å; L57-I176 HydrophobicContact CD1-CG2 3.48Å; L57-I176 VanDerWaalsContact CD1-CG2 3.48Å; L57-I176 HydrophobicContact CG-CG2 4.41Å
58	S	91.3	Very high	94.1	Very high	49 Å²	49	58.8 Å²	58.8	34%	0.343	33%	0.326	S	S	.	.			trans	-124	134.6	172.8	179.6	0	0	0	0	110.7	S60 S61 F62	S58-S60 PolarHBondContact O-N 2.89Å; S58-S60 PolarHBondContact OG-N 3.26Å; S58-S60 PolarHBondContact OG-OG 3.46Å; S58-S61 PolarHBondContact O-N 3.46Å; S58-S61 VanDerWaalsContact O-N 3.12Å; S58-F62 VanDerWaalsContact O-CB 3.25Å; S58-F62 WeakPolarHBondContact O-CB 3.41Å; S58-F62 PolarHBondContact O-N 3.02Å
59	S	89.7	Confident	93.8	Very high	45 Å²	45	64.8 Å²	64.8	32%	0.315	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.6	172.8	62.1	0	0	0	0	113.7	Y87	S59-Y87 PolarHBondContact O-OH 2.96Å
60	S	85.7	Confident	93.7	Very high	43 Å²	43	59 Å²	59	30%	0.301	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-18.6	177.4	68.6	0	0	0	0	113.6	S58 V99	S58-S60 PolarHBondContact O-N 2.89Å; S58-S60 PolarHBondContact OG-N 3.26Å; S58-S60 PolarHBondContact OG-OG 3.46Å; S60-V99 VanDerWaalsContact O-CA 3.29Å; S60-V99 WeakPolarHBondContact O-CA 3.29Å; S60-V99 WeakPolarHBondContact O-CG2 3.46Å
61	S	87.9	Confident	93.5	Very high	32 Å²	32	57.8 Å²	57.8	22%	0.224	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-29.2	-173.3	60.3	0	0	0	0	114	S58	S58-S61 PolarHBondContact O-N 3.46Å; S58-S61 VanDerWaalsContact O-N 3.12Å
62	F	94.6	Very high	93.4	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.022	32%	0.315	C	S	.	.			trans	-69.2	140.1	-177.6	-177.5	-97.6	0	0	0	111.9	L57 S58 I64 Y87 F91 L110 L111 L113 F162	L57-F62 HydrophobicContact CD2-CD2 4Å; L57-F62 HydrophobicContact CD2-CE2 3.96Å; L57-F62 HydrophobicContact CD2-CG 4.38Å; L57-F62 HydrophobicContact CD2-CZ 4.28Å; S58-F62 VanDerWaalsContact O-CB 3.25Å; S58-F62 WeakPolarHBondContact O-CB 3.41Å; S58-F62 PolarHBondContact O-N 3.02Å; F62-I64 HydrophobicContact CE1-CD1 4.29Å; F62-I64 HydrophobicContact CE1-CG1 3.62Å; F62-I64 HydrophobicContact CZ-CG1 4.13Å; F62-Y87 HydrophobicContact CD1-CD2 4.46Å; F62-F91 HydrophobicContact CB-CE2 4.27Å; F62-F91 HydrophobicContact CB-CZ 3.95Å; F62-F91 AromaticContact CD1-CE2 3.63Å; F62-F91 HydrophobicContact CD1-CE2 3.63Å; F62-F91 AromaticContact CD1-CZ 3.95Å; F62-F91 HydrophobicContact CD1-CZ 3.95Å; F62-F91 HydrophobicContact CE1-CE2 4.36Å; F62-F91 HydrophobicContact CG-CE2 4.26Å; F62-F91 HydrophobicContact CG-CZ 4.13Å; F62-L110 HydrophobicContact CE2-CD2 4.22Å; F62-L110 HydrophobicContact CE2-CG 4.23Å; F62-L111 VanDerWaalsContact CA-O 3.29Å; F62-L111 WeakPolarHBondContact CA-O 3.34Å; F62-L113 HydrophobicContact CE2-CB 4.21Å; F62-L113 HydrophobicContact CZ-CB 3.72Å; F62-F162 HydrophobicContact CE1-CE1 4.31Å; F62-F162 HydrophobicContact CE2-CE1 4.4Å; F62-F162 AromaticContact CE2-CZ 3.98Å; F62-F162 HydrophobicContact CE2-CZ 3.98Å; F62-F162 AromaticContact CZ-CE1 3.63Å; F62-F162 HydrophobicContact CZ-CE1 3.63Å; F62-F162 AromaticContact CZ-CZ 3.64Å; F62-F162 HydrophobicContact CZ-CZ 3.64Å
63	S	95.4	Very high	93.2	Very high	40 Å²	40	49.1 Å²	49.1	28%	0.28	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.2	173.4	60	0	0	0	0	112.3	L111 E112 L113	S63-L111 PolarHBondContact N-O 3.28Å; S63-E112 CarbonylContact O-C 3.45Å; S63-E112 VanDerWaalsContact O-CA 3.3Å; S63-E112 WeakPolarHBondContact O-CA 3.46Å; S63-L113 PolarHBondContact O-N 2.79Å
64	I	97.5	Very high	93	Very high	19 Å²	19	49.4 Å²	49.4	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.8	170.3	-51.1	174.2	0	0	0	106.4	F62 Y83 L113 V115 L159	F62-I64 HydrophobicContact CE1-CD1 4.29Å; F62-I64 HydrophobicContact CE1-CG1 3.62Å; F62-I64 HydrophobicContact CZ-CG1 4.13Å; I64-Y83 HydrophobicContact CB-CD1 4.39Å; I64-Y83 HydrophobicContact CB-CG 4.15Å; I64-Y83 HydrophobicContact CG2-CD1 3.45Å; I64-Y83 VanDerWaalsContact CG2-CD1 3.45Å; I64-Y83 HydrophobicContact CG2-CD2 4.24Å; I64-Y83 HydrophobicContact CG2-CE1 3.92Å; I64-Y83 HydrophobicContact CG2-CG 3.66Å; I64-L113 WeakPolarHBondContact CA-O 3.48Å; I64-L113 HydrophobicContact CG1-CB 4.4Å; I64-L113 HydrophobicContact CG1-CD2 4.47Å; I64-L113 HydrophobicContact CG2-CB 4.47Å; I64-L113 HydrophobicContact CG2-CD2 4.23Å; I64-L113 HydrophobicContact CG2-CG 4.42Å; I64-V115 HydrophobicContact CG2-CG2 4.01Å; I64-L159 HydrophobicContact CD1-CD2 4.49Å; I64-L159 HydrophobicContact CG2-CD2 4.08Å
65	T	96.8	Very high	92.8	Very high	38 Å²	38	52 Å²	52	23%	0.233	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.2	-171.2	60.5	0	0	0	0	111.1	E112 L113 Q114 V115	T65-E112 WeakPolarHBondContact CB-OE1 3.36Å; T65-E112 HydrophobicContact CG2-CG 4.38Å; T65-E112 WeakPolarHBondContact CG2-OE1 3.33Å; T65-E112 VanDerWaalsContact OG1-CD 3.28Å; T65-E112 WeakPolarHBondContact OG1-CG 3.5Å; T65-E112 PolarHBondContact OG1-OE1 3.41Å; T65-L113 PolarHBondContact N-O 2.75Å; T65-Q114 WeakPolarHBondContact O-CA 3.35Å; T65-V115 PolarHBondContact O-N 2.79Å
66	D	96.9	Very high	92.8	Very high	39 Å²	39	52.1 Å²	52.1	21%	0.209	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.7	170.3	-53.8	-69.1	0	0	0	110.2	Q80 Y83	D66-Q80 PolarHBondContact OD2-NE2 3.41Å; D66-Y83 WeakPolarHBondContact OD1-CE2 3.41Å; D66-Y83 PolarHBondContact OD1-OH 3.36Å
67	A	95.7	Very high	92.9	Very high	14 Å²	14	49 Å²	49	12%	0.116	31%	0.313	C	S	.	.			trans	-64.1	147	170	0	0	0	0	0	110.4	E69 S70 Q114 V115 W116	A67-E69 PolarHBondContact O-N 3.45Å; A67-E69 VanDerWaalsContact O-N 3.13Å; A67-S70 WeakPolarHBondContact O-CB 3.5Å; A67-S70 PolarHBondContact O-N 3.31Å; A67-Q114 HydrophobicContact CB-CB 4.4Å; A67-V115 PolarHBondContact N-O 3.12Å; A67-W116 HydrophobicContact CB-CB 3.75Å; A67-W116 HydrophobicContact CB-CG 4.12Å
68	K	91.7	Very high	93	Very high	214 Å²	214	48.6 Å²	48.6	93%	0.93	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.7	-175.6	-69.2	-179.6	-179.2	173.5	0	114.2
69	E	90.8	Very high	93.3	Very high	154 Å²	154	46.3 Å²	46.3	72%	0.72	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	12.8	-176.4	-65.9	164.4	-170.1	0	0	112.2	A67 W116	A67-E69 PolarHBondContact O-N 3.45Å; A67-E69 VanDerWaalsContact O-N 3.13Å; E69-W116 PolarHBondContact O-NE1 3.14Å
70	S	95.2	Very high	93.7	Very high	21 Å²	21	47.5 Å²	47.5	15%	0.147	30%	0.295	C	S	.	.			trans	-71.8	135.6	-179.5	-177.1	0	0	0	0	112	A67 A72 I117	A67-S70 WeakPolarHBondContact O-CB 3.5Å; A67-S70 PolarHBondContact O-N 3.31Å; S70-A72 WeakPolarHBondContact CB-O 3.35Å; S70-A72 PolarHBondContact O-N 2.97Å; S70-A72 PolarHBondContact OG-N 3.38Å; S70-A72 PolarHBondContact OG-O 3.29Å; S70-I117 WeakPolarHBondContact CA-O 3.19Å; S70-I117 PolarHBondContact OG-N 3.18Å
71	G	92.6	Very high	94.3	Very high	37 Å²	37	49.6 Å²	49.6	38%	0.381	30%	0.303	S	S	.	.	S	Bend	trans	-67.1	-15.8	171.5	0	0	0	0	0	113.3	I117	G71-I117 PolarHBondContact N-O 2.83Å
72	A	92.1	Very high	94.8	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.033	29%	0.292	C	S	.	.	S	Bend	trans	-109.3	142.5	166.3	0	0	0	0	0	110.4	S70 C76 L79 I117	S70-A72 WeakPolarHBondContact CB-O 3.35Å; S70-A72 PolarHBondContact O-N 2.97Å; S70-A72 PolarHBondContact OG-N 3.38Å; S70-A72 PolarHBondContact OG-O 3.29Å; A72-C76 HydrophobicContact CB-CB 4.13Å; A72-L79 HydrophobicContact CB-CD1 3.74Å; A72-I117 HydrophobicContact CB-CB 4.11Å; A72-I117 HydrophobicContact CB-CG1 3.66Å
73	G	89.1	Confident	94.9	Very high	26 Å²	26	48.4 Å²	48.4	27%	0.268	29%	0.293	S	S	.	.			trans	-136.8	-156.2	176.6	0	0	0	0	0	112.8	S75 C76	G73-S75 PolarHBondContact O-N 3.21Å; G73-C76 VanDerWaalsContact O-CB 3.29Å; G73-C76 WeakPolarHBondContact O-CB 3.45Å; G73-C76 PolarHBondContact O-N 2.85Å
74	A	89.7	Confident	95	Very high	85 Å²	85	52.6 Å²	52.6	70%	0.702	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.3	-175.4	0	0	0	0	0	115.1	C76	A74-C76 VanDerWaalsContact C-N 3.29Å
75	S	91.4	Very high	94.9	Very high	114 Å²	114	52.8 Å²	52.8	80%	0.797	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-17.8	174.1	53.4	0	0	0	0	113.4	G73 G77	G73-S75 PolarHBondContact O-N 3.21Å; S75-G77 PolarHBondContact O-N 3.14Å
76	C	96.2	Very high	94.9	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.027	30%	0.296	C	S	.	.			trans	-77	87.1	-179	178.8	0	0	0	0	111	A72 G73 A74 L78 L79 Q80 C124	A72-C76 HydrophobicContact CB-CB 4.13Å; G73-C76 VanDerWaalsContact O-CB 3.29Å; G73-C76 WeakPolarHBondContact O-CB 3.45Å; G73-C76 PolarHBondContact O-N 2.85Å; A74-C76 VanDerWaalsContact C-N 3.29Å; C76-L78 PolarHBondContact O-N 3.21Å; C76-L78 VanDerWaalsContact O-N 3.16Å; C76-L79 HydrophobicContact CB-CB 4.5Å; C76-L79 PolarHBondContact O-N 3.38Å; C76-L79 VanDerWaalsContact O-N 3.16Å; C76-L79 VanDerWaalsContact SG-CG 3.59Å; C76-Q80 WeakPolarHBondContact O-CG 3.45Å; C76-Q80 PolarHBondContact O-N 3.46Å; C76-Q80 VanDerWaalsContact O-N 3.15Å; C76-C124 WeakPolarHBondContact CA-SG 3.49Å; C76-C124 HydrophobicContact CB-CB 3.91Å; C76-C124 WeakPolarHBondContact CB-SG 3.38Å; C76-C124 WeakPolarHBondContact SG-CB 3.35Å; C76-C124 CovalentContact SG-SG 2.02Å; C76-C124 PolarHBondContact SG-SG 2.8Å
77	G	95.4	Very high	94.9	Very high	36 Å²	36	50 Å²	50	37%	0.371	29%	0.288	S	S	.	.	H	α-helix	trans	-56.5	-33	-176.8	0	0	0	0	0	113.9	S75 Q80 L81	S75-G77 PolarHBondContact O-N 3.14Å; G77-Q80 PolarHBondContact O-N 3.37Å; G77-L81 WeakPolarHBondContact O-CB 3.41Å; G77-L81 VanDerWaalsContact O-CG 3.25Å; G77-L81 WeakPolarHBondContact O-CG 3.46Å; G77-L81 PolarHBondContact O-N 2.95Å
78	L	97.8	Very high	94.8	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-51.9	176.2	178.4	156.8	0	0	0	111.7	C76 L81 A82 V152 W153 L156 L268	C76-L78 PolarHBondContact O-N 3.21Å; C76-L78 VanDerWaalsContact O-N 3.16Å; L78-L81 PolarHBondContact O-N 3.29Å; L78-A82 PolarHBondContact O-N 2.91Å; L78-V152 HydrophobicContact CD1-CG2 4.4Å; L78-V152 HydrophobicContact CD2-CB 4.11Å; L78-V152 HydrophobicContact CD2-CG2 4.41Å; L78-W153 HydrophobicContact CD1-CH2 4.15Å; L78-W153 HydrophobicContact CD1-CZ3 3.7Å; L78-L156 HydrophobicContact CD2-CD1 4Å; L78-L156 HydrophobicContact CD2-CD2 3.86Å; L78-L156 HydrophobicContact CD2-CG 4.03Å; L78-L268 HydrophobicContact CB-CD2 4.06Å; L78-L268 HydrophobicContact CG-CD2 4.34Å
79	L	97.9	Very high	95	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69.6	-40.2	-179.6	-71.8	-179.6	0	0	0	111.7	A72 C76 L81 A82 Y83 I117 V152 A155	A72-L79 HydrophobicContact CB-CD1 3.74Å; C76-L79 HydrophobicContact CB-CB 4.5Å; C76-L79 PolarHBondContact O-N 3.38Å; C76-L79 VanDerWaalsContact O-N 3.16Å; C76-L79 VanDerWaalsContact SG-CG 3.59Å; L79-L81 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 2.96Å; L79-A82 CarbonylContact O-C 3.36Å; L79-A82 WeakPolarHBondContact O-CA 3.21Å; L79-A82 WeakPolarHBondContact O-CB 3.49Å; L79-A82 PolarHBondContact O-N 3.28Å; L79-Y83 HydrophobicContact CB-CE1 4.02Å; L79-Y83 HydrophobicContact CB-CE2 4.35Å; L79-Y83 HydrophobicContact CD2-CE1 4.37Å; L79-Y83 WeakPolarHBondContact O-CD1 3.37Å; L79-Y83 PolarHBondContact O-N 3.13Å; L79-I117 HydrophobicContact CD1-CD1 4.31Å; L79-I117 HydrophobicContact CD1-CG1 4Å; L79-V152 HydrophobicContact CD1-CG1 4.04Å; L79-V152 HydrophobicContact CD2-CB 4.45Å; L79-V152 HydrophobicContact CD2-CG1 4.47Å; L79-V152 HydrophobicContact CG-CG1 4.12Å; L79-A155 HydrophobicContact CD2-CB 4.1Å
80	Q	97.4	Very high	95.1	Very high	70 Å²	70	38.7 Å²	38.7	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-39.1	178	-60	-53.2	-49.5	0	0	112.2	D66 C76 G77 K84	D66-Q80 PolarHBondContact OD2-NE2 3.41Å; C76-Q80 WeakPolarHBondContact O-CG 3.45Å; C76-Q80 PolarHBondContact O-N 3.46Å; C76-Q80 VanDerWaalsContact O-N 3.15Å; G77-Q80 PolarHBondContact O-N 3.37Å; Q80-K84 PolarHBondContact O-N 2.8Å
81	L	97.4	Very high	95	Very high	88 Å²	88	39 Å²	39	46%	0.461	23%	0.233	S	C	.	.	H	α-helix	trans	-68.4	-37.9	173.5	-71.1	172.3	0	0	0	111.9	G77 L78 L79 K84 R85 L268	G77-L81 WeakPolarHBondContact O-CB 3.41Å; G77-L81 VanDerWaalsContact O-CG 3.25Å; G77-L81 WeakPolarHBondContact O-CG 3.46Å; G77-L81 PolarHBondContact O-N 2.95Å; L78-L81 PolarHBondContact O-N 3.29Å; L79-L81 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 2.96Å; L81-K84 PolarHBondContact O-N 3.29Å; L81-R85 WeakPolarHBondContact O-CB 3.48Å; L81-R85 PolarHBondContact O-N 3.05Å; L81-L268 HydrophobicContact CD1-CD1 3.9Å; L81-L268 HydrophobicContact CD1-CD2 3.94Å
82	A	98.3	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-45	174.4	0	0	0	0	0	112.1	L78 L79 K84 R85 Y86 L156 L159	L78-A82 PolarHBondContact O-N 2.91Å; L79-A82 CarbonylContact O-C 3.36Å; L79-A82 WeakPolarHBondContact O-CA 3.21Å; L79-A82 WeakPolarHBondContact O-CB 3.49Å; L79-A82 PolarHBondContact O-N 3.28Å; A82-K84 VanDerWaalsContact C-N 3.31Å; A82-K84 PolarHBondContact O-N 2.69Å; A82-R85 PolarHBondContact O-N 3.18Å; A82-Y86 HydrophobicContact CB-CD2 4.48Å; A82-Y86 WeakPolarHBondContact O-CD2 3.33Å; A82-Y86 PolarHBondContact O-N 3.3Å; A82-L156 HydrophobicContact CB-CD2 3.53Å; A82-L159 HydrophobicContact CB-CD1 3.83Å
83	Y	97.8	Very high	93.1	Very high	12 Å²	12	42.6 Å²	42.6	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-43.8	178.2	-60.3	-11.9	0	0	0	111.4	I64 D66 L79 Y87 V115 L159	I64-Y83 HydrophobicContact CB-CD1 4.39Å; I64-Y83 HydrophobicContact CB-CG 4.15Å; I64-Y83 HydrophobicContact CG2-CD1 3.45Å; I64-Y83 VanDerWaalsContact CG2-CD1 3.45Å; I64-Y83 HydrophobicContact CG2-CD2 4.24Å; I64-Y83 HydrophobicContact CG2-CE1 3.92Å; I64-Y83 HydrophobicContact CG2-CG 3.66Å; D66-Y83 WeakPolarHBondContact OD1-CE2 3.41Å; D66-Y83 PolarHBondContact OD1-OH 3.36Å; L79-Y83 HydrophobicContact CB-CE1 4.02Å; L79-Y83 HydrophobicContact CB-CE2 4.35Å; L79-Y83 HydrophobicContact CD2-CE1 4.37Å; L79-Y83 WeakPolarHBondContact O-CD1 3.37Å; L79-Y83 PolarHBondContact O-N 3.13Å; Y83-Y87 WeakPolarHBondContact O-CB 3.31Å; Y83-Y87 PolarHBondContact O-N 2.82Å; Y83-V115 HydrophobicContact CE1-CB 4.14Å; Y83-V115 HydrophobicContact CE1-CG1 4.37Å; Y83-V115 HydrophobicContact CE1-CG2 3.68Å; Y83-V115 WeakPolarHBondContact OH-CB 3.16Å; Y83-L159 HydrophobicContact CD1-CD1 3.98Å; Y83-L159 HydrophobicContact CD1-CD2 4.34Å; Y83-L159 HydrophobicContact CE1-CD1 4.06Å
84	K	96.3	Very high	91.5	Very high	128 Å²	128	43.7 Å²	43.7	56%	0.557	28%	0.278	S	S	*	.	H	α-helix	trans	-61.4	-48.5	176.1	-176.2	-176.9	172.3	-169.3	0	111.3	Q80 L81 A82 Y87 E88	Q80-K84 PolarHBondContact O-N 2.8Å; L81-K84 PolarHBondContact O-N 3.29Å; A82-K84 VanDerWaalsContact C-N 3.31Å; A82-K84 PolarHBondContact O-N 2.69Å; K84-Y87 PolarHBondContact O-N 2.98Å; K84-E88 WeakPolarHBondContact CE-OE1 3.07Å; K84-E88 WeakPolarHBondContact O-CG 3.45Å; K84-E88 PolarHBondContact O-N 3.06Å
85	R	96.2	Very high	89.6	Confident	22 Å²	22	49 Å²	49	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-48.3	-178.8	-179	175.9	67	-105.2	4.5	112.1	L81 A82 Y87 E88 Y89 E211	L81-R85 WeakPolarHBondContact O-CB 3.48Å; L81-R85 PolarHBondContact O-N 3.05Å; A82-R85 PolarHBondContact O-N 3.18Å; R85-Y87 VanDerWaalsContact C-N 3.34Å; R85-Y87 PolarHBondContact O-N 3.28Å; R85-E88 WeakPolarHBondContact O-CB 3.42Å; R85-E88 PolarHBondContact O-N 3.41Å; R85-E88 VanDerWaalsContact O-N 3.13Å; R85-Y89 WeakPolarHBondContact CD-OH 3.44Å; R85-Y89 HydrophobicContact CG-CD2 4.26Å; R85-Y89 HydrophobicContact CG-CE1 4.15Å; R85-Y89 HydrophobicContact CG-CE2 3.57Å; R85-Y89 VanDerWaalsContact CG-CZ 3.5Å; R85-Y89 PolarHBondContact O-N 3.25Å; R85-E211 VanDerWaalsContact CD-OE1 3.29Å; R85-E211 WeakPolarHBondContact CD-OE1 3.37Å; R85-E211 IonicContact NE-OE1 3.98Å
86	Y	97.6	Very high	87.7	Confident	5 Å²	5	50.9 Å²	50.9	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-68.8	-33.5	-179.7	-83.7	-68.3	0	0	0	113.3	A82 E88 Y89 I90 L159 E160	A82-Y86 HydrophobicContact CB-CD2 4.48Å; A82-Y86 WeakPolarHBondContact O-CD2 3.33Å; A82-Y86 PolarHBondContact O-N 3.3Å; Y86-E88 VanDerWaalsContact C-N 3.32Å; Y86-E88 PolarHBondContact O-N 3.35Å; Y86-Y89 AromaticContact CD1-CD2 3.74Å; Y86-Y89 HydrophobicContact CD1-CD2 3.74Å; Y86-Y89 HydrophobicContact CD1-CE2 4.45Å; Y86-Y89 AromaticContact CE1-CD2 3.79Å; Y86-Y89 HydrophobicContact CE1-CD2 3.79Å; Y86-Y89 HydrophobicContact CE1-CE2 4.2Å; Y86-Y89 HydrophobicContact CG-CD2 4.44Å; Y86-Y89 PolarHBondContact O-N 3.45Å; Y86-I90 VanDerWaalsContact O-CG1 3.3Å; Y86-I90 WeakPolarHBondContact O-CG1 3.46Å; Y86-I90 PolarHBondContact O-N 2.81Å; Y86-L159 HydrophobicContact CD1-CB 4.44Å; Y86-L159 HydrophobicContact CD2-CB 3.48Å; Y86-L159 VanDerWaalsContact CD2-CB 3.48Å; Y86-L159 HydrophobicContact CD2-CD1 4Å; Y86-L159 HydrophobicContact CD2-CG 4.25Å; Y86-L159 HydrophobicContact CE2-CB 3.56Å; Y86-L159 HydrophobicContact CE2-CD1 4.39Å; Y86-L159 HydrophobicContact CG-CB 3.95Å; Y86-E160 VanDerWaalsContact CE1-CA 3.44Å; Y86-E160 HydrophobicContact CE1-CB 4.18Å; Y86-E160 WeakPolarHBondContact CE1-OE2 3.33Å; Y86-E160 WeakPolarHBondContact OH-CA 3.43Å; Y86-E160 VanDerWaalsContact OH-CB 3.3Å; Y86-E160 WeakPolarHBondContact OH-CB 3.26Å; Y86-E160 PolarHBondContact OH-OE2 3.39Å
87	Y	96.3	Very high	85.6	Confident	14 Å²	14	57.2 Å²	57.2	6%	0.055	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-44.2	169.4	-175.9	-82	0	0	0	111.6	S59 F62 Y83 K84 R85 Y89 I90 F91 K96	S59-Y87 PolarHBondContact O-OH 2.96Å; F62-Y87 HydrophobicContact CD1-CD2 4.46Å; Y83-Y87 WeakPolarHBondContact O-CB 3.31Å; Y83-Y87 PolarHBondContact O-N 2.82Å; K84-Y87 PolarHBondContact O-N 2.98Å; R85-Y87 VanDerWaalsContact C-N 3.34Å; R85-Y87 PolarHBondContact O-N 3.28Å; Y87-Y89 VanDerWaalsContact C-N 3.33Å; Y87-Y89 PolarHBondContact O-N 2.9Å; Y87-I90 PolarHBondContact O-N 3.19Å; Y87-F91 HydrophobicContact CD1-CD2 4.29Å; Y87-F91 AromaticContact CD2-CD2 3.89Å; Y87-F91 HydrophobicContact CD2-CD2 3.89Å; Y87-F91 HydrophobicContact CD2-CE2 4Å; Y87-F91 HydrophobicContact CE1-CB 4.47Å; Y87-F91 HydrophobicContact CE1-CD2 4.07Å; Y87-F91 AromaticContact CE2-CD2 3.67Å; Y87-F91 HydrophobicContact CE2-CD2 3.67Å; Y87-F91 AromaticContact CE2-CE2 3.79Å; Y87-F91 HydrophobicContact CE2-CE2 3.79Å; Y87-F91 HydrophobicContact CG-CD2 4.19Å; Y87-F91 AromaticContact CZ-CD2 3.75Å; Y87-F91 PolarHBondContact O-N 3.02Å; Y87-K96 HydrophobicContact CE1-CG 4.04Å
88	E	94.4	Very high	83.3	Confident	89 Å²	89	65.4 Å²	65.4	42%	0.416	33%	0.333	S	S	.	.	H	α-helix	trans	-65.6	-32.7	175.9	-72.3	172.5	-173.1	0	0	112.3	K84 R85 Y86 G92	K84-E88 WeakPolarHBondContact CE-OE1 3.07Å; K84-E88 WeakPolarHBondContact O-CG 3.45Å; K84-E88 PolarHBondContact O-N 3.06Å; R85-E88 WeakPolarHBondContact O-CB 3.42Å; R85-E88 PolarHBondContact O-N 3.41Å; R85-E88 VanDerWaalsContact O-N 3.13Å; Y86-E88 VanDerWaalsContact C-N 3.32Å; Y86-E88 PolarHBondContact O-N 3.35Å; E88-G92 CarbonylContact O-C 3.55Å; E88-G92 WeakPolarHBondContact O-CA 3.45Å; E88-G92 PolarHBondContact O-N 3.26Å
89	Y	94.6	Very high	81.2	Confident	50 Å²	50	69 Å²	69	20%	0.196	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-35.8	173.1	-65.9	-23	0	0	0	113.8	R85 Y86 Y87 E211 M215 R529	R85-Y89 WeakPolarHBondContact CD-OH 3.44Å; R85-Y89 HydrophobicContact CG-CD2 4.26Å; R85-Y89 HydrophobicContact CG-CE1 4.15Å; R85-Y89 HydrophobicContact CG-CE2 3.57Å; R85-Y89 VanDerWaalsContact CG-CZ 3.5Å; R85-Y89 PolarHBondContact O-N 3.25Å; Y86-Y89 AromaticContact CD1-CD2 3.74Å; Y86-Y89 HydrophobicContact CD1-CD2 3.74Å; Y86-Y89 HydrophobicContact CD1-CE2 4.45Å; Y86-Y89 AromaticContact CE1-CD2 3.79Å; Y86-Y89 HydrophobicContact CE1-CD2 3.79Å; Y86-Y89 HydrophobicContact CE1-CE2 4.2Å; Y86-Y89 HydrophobicContact CG-CD2 4.44Å; Y86-Y89 PolarHBondContact O-N 3.45Å; Y87-Y89 VanDerWaalsContact C-N 3.33Å; Y87-Y89 PolarHBondContact O-N 2.9Å; Y89-E211 VanDerWaalsContact OH-CG 3.31Å; Y89-E211 WeakPolarHBondContact OH-CG 3.34Å; Y89-E211 PolarHBondContact OH-OE1 3.06Å; Y89-M215 HydrophobicContact CE1-CE 4.33Å; Y89-M215 HydrophobicContact CE2-CE 4.26Å; Y89-R529 HydrophobicContact CD1-CG 4.32Å
90	I	94.4	Very high	78.9	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-78.3	-42.1	-177.1	-66.7	164.5	0	0	0	111.3	Y86 Y87 F162 V166 K174	Y86-I90 VanDerWaalsContact O-CG1 3.3Å; Y86-I90 WeakPolarHBondContact O-CG1 3.46Å; Y86-I90 PolarHBondContact O-N 2.81Å; Y87-I90 PolarHBondContact O-N 3.19Å; I90-F162 HydrophobicContact CD1-CD1 3.95Å; I90-F162 HydrophobicContact CD1-CE1 3.85Å; I90-V166 HydrophobicContact CG2-CB 4.42Å; I90-V166 HydrophobicContact CG2-CG1 4Å; I90-V166 HydrophobicContact CG2-CG2 4.31Å; I90-K174 WeakPolarHBondContact O-CE 3.38Å; I90-K174 PolarHBondContact O-NZ 3.16Å
91	F	92.1	Very high	76.7	Confident	26 Å²	26	82 Å²	82	11%	0.114	41%	0.41	C	S	.	.	H	α-helix	trans	-113.1	-0.5	-171.8	-57.5	-71.3	0	0	0	114.5	L57 F62 Y87 K174	L57-F91 HydrophobicContact CB-CE1 4.18Å; L57-F91 HydrophobicContact CB-CZ 4.01Å; L57-F91 HydrophobicContact CD2-CZ 4.47Å; F62-F91 HydrophobicContact CB-CE2 4.27Å; F62-F91 HydrophobicContact CB-CZ 3.95Å; F62-F91 AromaticContact CD1-CE2 3.63Å; F62-F91 HydrophobicContact CD1-CE2 3.63Å; F62-F91 AromaticContact CD1-CZ 3.95Å; F62-F91 HydrophobicContact CD1-CZ 3.95Å; F62-F91 HydrophobicContact CE1-CE2 4.36Å; F62-F91 HydrophobicContact CG-CE2 4.26Å; F62-F91 HydrophobicContact CG-CZ 4.13Å; Y87-F91 HydrophobicContact CD1-CD2 4.29Å; Y87-F91 AromaticContact CD2-CD2 3.89Å; Y87-F91 HydrophobicContact CD2-CD2 3.89Å; Y87-F91 HydrophobicContact CD2-CE2 4Å; Y87-F91 HydrophobicContact CE1-CB 4.47Å; Y87-F91 HydrophobicContact CE1-CD2 4.07Å; Y87-F91 AromaticContact CE2-CD2 3.67Å; Y87-F91 HydrophobicContact CE2-CD2 3.67Å; Y87-F91 AromaticContact CE2-CE2 3.79Å; Y87-F91 HydrophobicContact CE2-CE2 3.79Å; Y87-F91 HydrophobicContact CG-CD2 4.19Å; Y87-F91 AromaticContact CZ-CD2 3.75Å; Y87-F91 PolarHBondContact O-N 3.02Å; F91-K174 HydrophobicContact CD1-CG 4.19Å; F91-K174 HydrophobicContact CE1-CB 4.32Å; F91-K174 HydrophobicContact CE1-CG 4.16Å
92	G	84	Confident	74.4	Confident	36 Å²	36	84.7 Å²	84.7	37%	0.371	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	-168.7	-171.2	0	0	0	0	0	113.2	E88 A94	E88-G92 CarbonylContact O-C 3.55Å; E88-G92 WeakPolarHBondContact O-CA 3.45Å; E88-G92 PolarHBondContact O-N 3.26Å; G92-A94 PolarHBondContact O-N 2.85Å
93	G	61.7	Low	72.3	Confident	81 Å²	81	87.9 Å²	87.9	84%	0.835	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	19	175.6	0	0	0	0	0	115.1	K95	G93-K95 PolarHBondContact O-N 2.84Å; G93-K95 VanDerWaalsContact O-N 3.17Å
94	A	53.7	Low	70.4	Confident	50 Å²	50	98.8 Å²	98.8	41%	0.413	49%	0.492	S	S	.	.			trans	-60.5	118.5	177.8	0	0	0	0	0	109.5	G92 K96	G92-A94 PolarHBondContact O-N 2.85Å; A94-K96 PolarHBondContact O-N 3.05Å; A94-K96 VanDerWaalsContact O-N 3.17Å
95	K	50.7	Low	69	Low	195 Å²	195	95.2 Å²	95.2	85%	0.848	49%	0.487	S	S	*	.			trans	-52.6	125.5	175.7	-70.4	-178.5	179.2	177.6	0	108.5	G93 Q97	G93-K95 PolarHBondContact O-N 2.84Å; G93-K95 VanDerWaalsContact O-N 3.17Å; K95-Q97 PolarHBondContact O-N 3.49Å
96	K	52.5	Low	68	Low	154 Å²	154	95.2 Å²	95.2	67%	0.67	49%	0.493	S	S	*	.			trans	-46.2	102	168.2	-79.8	-173.5	176.2	-177	0	108	Y87 A94	Y87-K96 HydrophobicContact CE1-CG 4.04Å; A94-K96 PolarHBondContact O-N 3.05Å; A94-K96 VanDerWaalsContact O-N 3.17Å
97	Q	50.3	Low	67	Low	138 Å²	138	100.4 Å²	100.4	65%	0.645	53%	0.527	S	S	*	.			trans	-65.3	141.7	168.7	-70.5	-170.6	1.9	0	0	106.3	K95 V99	K95-Q97 PolarHBondContact O-N 3.49Å; Q97-V99 PolarHBondContact O-N 2.96Å
98	K	48.6	Very low	66.6	Low	208 Å²	208	102.3 Å²	102.3	90%	0.904	54%	0.541	S	S	*	.			trans	-54.1	114	-179.6	-82.7	-176.2	175.6	179.1	0	108.5	N100	K98-N100 PolarHBondContact O-N 2.99Å
99	V	52.9	Low	66.5	Low	77 Å²	77	100.4 Å²	100.4	47%	0.467	53%	0.533	S	S	.	.			trans	-52.9	114.2	177.4	179.4	0	0	0	0	108.4	S60 Q97 R101	S60-V99 VanDerWaalsContact O-CA 3.29Å; S60-V99 WeakPolarHBondContact O-CA 3.29Å; S60-V99 WeakPolarHBondContact O-CG2 3.46Å; Q97-V99 PolarHBondContact O-N 2.96Å; V99-R101 VanDerWaalsContact C-N 3.3Å; V99-R101 HydrophobicContact CG1-CG 4.38Å; V99-R101 PolarHBondContact O-N 3.41Å
100	N	49	Very low	66.5	Low	112 Å²	112	98 Å²	98	60%	0.599	52%	0.524	S	S	*	.			trans	-76.1	90.4	172.1	-167.5	1.7	0	0	0	107.6	K98 N102 A103	K98-N100 PolarHBondContact O-N 2.99Å; N100-N102 PolarHBondContact O-N 3.45Å; N100-A103 PolarHBondContact O-N 3.37Å
101	R	51.8	Low	66.6	Low	231 Å²	231	100.1 Å²	100.1	87%	0.872	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-8.8	-179.5	-70.9	-175.5	172.4	-176.2	-3.5	114.2	V99	V99-R101 VanDerWaalsContact C-N 3.3Å; V99-R101 HydrophobicContact CG1-CG 4.38Å; V99-R101 PolarHBondContact O-N 3.41Å
102	N	48.9	Very low	66.8	Low	145 Å²	145	101 Å²	101	78%	0.775	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	0.7	178.5	-68.1	-14	0	0	0	114.2	N100 R104	N100-N102 PolarHBondContact O-N 3.45Å; N102-R104 PolarHBondContact O-N 2.8Å
103	A	55.2	Low	67.5	Low	67 Å²	67	99.3 Å²	99.3	55%	0.554	52%	0.522	S	S	*	.	S	Bend	trans	-70.1	120.3	171	0	0	0	0	0	109.1	N100 A105	N100-A103 PolarHBondContact O-N 3.37Å; A103-A105 PolarHBondContact O-N 2.72Å
104	R	58.3	Low	69.2	Low	240 Å²	240	97.9 Å²	97.9	91%	0.906	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-66.9	127.2	173.9	-73.5	-178.1	179.3	178.4	-0.6	108.4	N102 G106	N102-R104 PolarHBondContact O-N 2.8Å; R104-G106 PolarHBondContact O-N 3.2Å
105	A	65.3	Low	71.3	Confident	54 Å²	54	95.5 Å²	95.5	45%	0.446	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-52.9	124.9	172.6	0	0	0	0	0	109.5	A103 L111	A103-A105 PolarHBondContact O-N 2.72Å; A105-L111 HydrophobicContact CB-CD1 3.55Å; A105-L111 HydrophobicContact CB-CG 4.35Å
106	G	75.3	Confident	73.6	Confident	22 Å²	22	90 Å²	90	23%	0.227	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-63.4	157.1	164.9	0	0	0	0	0	110.5	R104 T108 D109	R104-G106 PolarHBondContact O-N 3.2Å; G106-T108 PolarHBondContact O-N 2.7Å; G106-D109 WeakPolarHBondContact CA-OD2 3.28Å; G106-D109 PolarHBondContact N-OD2 3.5Å; G106-D109 PolarHBondContact O-N 3.3Å; G106-D109 VanDerWaalsContact O-N 3.11Å
107	P	78.2	Confident	75.8	Confident	113 Å²	113	82.7 Å²	82.7	73%	0.734	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	10.1	-179.5	32.9	-38	0	0	0	114.1	Q142	P107-Q142 VanDerWaalsContact O-CD 3.24Å; P107-Q142 PolarHBondContact O-NE2 2.82Å; P107-Q142 PolarHBondContact O-OE1 3.33Å
108	T	87.6	Confident	78	Confident	55 Å²	55	79 Å²	79	34%	0.337	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	7.1	176.2	59.3	0	0	0	0	111.6	L55 K56 G106	L55-T108 CarbonylContact C-O 3.53Å; L55-T108 VanDerWaalsContact CA-O 3.26Å; L55-T108 WeakPolarHBondContact CA-O 3.41Å; K56-T108 PolarHBondContact N-O 2.9Å; G106-T108 PolarHBondContact O-N 2.7Å
109	D	91.6	Very high	80.2	Confident	48 Å²	48	70.3 Å²	70.3	26%	0.257	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-87.6	125.7	-174	-69.9	-12.5	0	0	0	110.5	G106 L111	G106-D109 WeakPolarHBondContact CA-OD2 3.28Å; G106-D109 PolarHBondContact N-OD2 3.5Å; G106-D109 PolarHBondContact O-N 3.3Å; G106-D109 VanDerWaalsContact O-N 3.11Å; D109-L111 HydrophobicContact CB-CD2 3.98Å; D109-L111 HydrophobicContact CB-CG 4.43Å
110	L	95.3	Very high	82	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.384	C	S	.	.			trans	-91.9	112.6	167.3	-177.7	68.2	0	0	0	108.6	L55 K56 L57 F62 V140 D141 A145 F162 I176	L55-L110 HydrophobicContact CB-CB 4.25Å; L55-L110 HydrophobicContact CD1-CB 4.49Å; K56-L110 PolarHBondContact O-N 3.3Å; L57-L110 HydrophobicContact CD2-CD2 4.13Å; L57-L110 HydrophobicContact CG-CB 4.39Å; L57-L110 HydrophobicContact CG-CD2 4.24Å; F62-L110 HydrophobicContact CE2-CD2 4.22Å; F62-L110 HydrophobicContact CE2-CG 4.23Å; L110-V140 HydrophobicContact CD2-CG1 4.22Å; L110-D141 VanDerWaalsContact CD1-O 3.27Å; L110-D141 WeakPolarHBondContact CD1-O 3.3Å; L110-A145 HydrophobicContact CD1-CB 3.86Å; L110-A145 HydrophobicContact CD2-CB 4.29Å; L110-F162 HydrophobicContact CD2-CE2 4.12Å; L110-F162 HydrophobicContact CD2-CZ 3.94Å; L110-I176 HydrophobicContact CD2-CG2 3.84Å
111	L	95.3	Very high	84	Confident	50 Å²	50	71.7 Å²	71.7	26%	0.262	38%	0.38	S	S	.	.			trans	-101.1	-25.3	-171.6	-62.1	-174.3	0	0	0	113.5	F62 S63 A105 D109 P143	F62-L111 VanDerWaalsContact CA-O 3.29Å; F62-L111 WeakPolarHBondContact CA-O 3.34Å; S63-L111 PolarHBondContact N-O 3.28Å; A105-L111 HydrophobicContact CB-CD1 3.55Å; A105-L111 HydrophobicContact CB-CG 4.35Å; D109-L111 HydrophobicContact CB-CD2 3.98Å; D109-L111 HydrophobicContact CB-CG 4.43Å; L111-P143 PolarHBondContact N-O 2.68Å
112	E	96.4	Very high	85.9	Confident	45 Å²	45	61.5 Å²	61.5	21%	0.21	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142.1	-172.3	-163.6	173.5	-155.5	0	0	111.2	S63 T65 Q114 I144 A145	S63-E112 CarbonylContact O-C 3.45Å; S63-E112 VanDerWaalsContact O-CA 3.3Å; S63-E112 WeakPolarHBondContact O-CA 3.46Å; T65-E112 WeakPolarHBondContact CB-OE1 3.36Å; T65-E112 HydrophobicContact CG2-CG 4.38Å; T65-E112 WeakPolarHBondContact CG2-OE1 3.33Å; T65-E112 VanDerWaalsContact OG1-CD 3.28Å; T65-E112 WeakPolarHBondContact OG1-CG 3.5Å; T65-E112 PolarHBondContact OG1-OE1 3.41Å; E112-Q114 HydrophobicContact CG-CG 3.86Å; E112-Q114 PolarHBondContact OE2-NE2 3.37Å; E112-I144 HydrophobicContact CB-CG1 4.22Å; E112-I144 HydrophobicContact CB-CG2 4.32Å; E112-I144 WeakPolarHBondContact O-CA 3.19Å; E112-A145 PolarHBondContact O-N 2.97Å
113	L	98.4	Very high	88.1	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.4	158.7	174.1	64.9	0	0	0	107.9	F62 S63 I64 T65 V115 L138 A145 L147 L159 F162	F62-L113 HydrophobicContact CE2-CB 4.21Å; F62-L113 HydrophobicContact CZ-CB 3.72Å; S63-L113 PolarHBondContact O-N 2.79Å; I64-L113 WeakPolarHBondContact CA-O 3.48Å; I64-L113 HydrophobicContact CG1-CB 4.4Å; I64-L113 HydrophobicContact CG1-CD2 4.47Å; I64-L113 HydrophobicContact CG2-CB 4.47Å; I64-L113 HydrophobicContact CG2-CD2 4.23Å; I64-L113 HydrophobicContact CG2-CG 4.42Å; T65-L113 PolarHBondContact N-O 2.75Å; L113-V115 HydrophobicContact CG-CG2 4.5Å; L113-L138 HydrophobicContact CD1-CD1 4.1Å; L113-A145 WeakPolarHBondContact CA-O 3.2Å; L113-A145 HydrophobicContact CD1-CB 3.73Å; L113-L147 HydrophobicContact CD1-CB 4.02Å; L113-L159 HydrophobicContact CD2-CD2 3.84Å; L113-F162 HydrophobicContact CB-CZ 4.36Å; L113-F162 HydrophobicContact CD1-CD2 4.04Å; L113-F162 HydrophobicContact CD1-CE2 4.11Å; L113-F162 HydrophobicContact CD2-CB 4.28Å; L113-F162 HydrophobicContact CD2-CD1 3.76Å; L113-F162 HydrophobicContact CD2-CD2 4.02Å; L113-F162 HydrophobicContact CD2-CE1 4.05Å; L113-F162 HydrophobicContact CD2-CE2 4.29Å; L113-F162 HydrophobicContact CD2-CG 3.74Å; L113-F162 HydrophobicContact CD2-CZ 4.31Å
114	Q	98.1	Very high	90	Very high	51 Å²	51	54.1 Å²	54.1	24%	0.238	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.6	175.4	-70.2	-175.3	8.9	0	0	110.2	T65 A67 E112 I144 A145 V146 L147	T65-Q114 WeakPolarHBondContact O-CA 3.35Å; A67-Q114 HydrophobicContact CB-CB 4.4Å; E112-Q114 HydrophobicContact CG-CG 3.86Å; E112-Q114 PolarHBondContact OE2-NE2 3.37Å; Q114-I144 HydrophobicContact CB-CG2 4.21Å; Q114-I144 HydrophobicContact CG-CG2 3.68Å; Q114-A145 PolarHBondContact N-O 2.84Å; Q114-V146 WeakPolarHBondContact O-CA 3.46Å; Q114-L147 PolarHBondContact O-N 2.83Å
115	V	98.5	Very high	91.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	177.5	-177.6	0	0	0	0	109.3	I64 T65 A67 Y83 L113 I117 L147 A155 L159	I64-V115 HydrophobicContact CG2-CG2 4.01Å; T65-V115 PolarHBondContact O-N 2.79Å; A67-V115 PolarHBondContact N-O 3.12Å; Y83-V115 HydrophobicContact CE1-CB 4.14Å; Y83-V115 HydrophobicContact CE1-CG1 4.37Å; Y83-V115 HydrophobicContact CE1-CG2 3.68Å; Y83-V115 WeakPolarHBondContact OH-CB 3.16Å; L113-V115 HydrophobicContact CG-CG2 4.5Å; V115-I117 HydrophobicContact CG1-CD1 4.45Å; V115-L147 CarbonylContact C-O 3.41Å; V115-L147 WeakPolarHBondContact CA-O 3.4Å; V115-L147 HydrophobicContact CG1-CD2 4.48Å; V115-L147 HydrophobicContact CG2-CB 4.42Å; V115-L147 HydrophobicContact CG2-CD2 4.28Å; V115-A155 HydrophobicContact CG1-CB 3.91Å; V115-L159 HydrophobicContact CG2-CD2 4.26Å
116	W	98.3	Very high	93.1	Very high	81 Å²	81	48.2 Å²	48.2	31%	0.307	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	104.6	-176.9	-175.1	6.9	0	0	0	111	A67 E69 T118 L147 K148 A149	A67-W116 HydrophobicContact CB-CB 3.75Å; A67-W116 HydrophobicContact CB-CG 4.12Å; E69-W116 PolarHBondContact O-NE1 3.14Å; W116-T118 HydrophobicContact CD2-CG2 4.28Å; W116-T118 HydrophobicContact CG-CG2 4.36Å; W116-L147 PolarHBondContact N-O 3.19Å; W116-K148 HydrophobicContact CD2-CG 4.43Å; W116-K148 HydrophobicContact CE3-CD 4.12Å; W116-K148 HydrophobicContact CE3-CG 4.25Å; W116-K148 HydrophobicContact CZ3-CD 4.4Å; W116-K148 WeakPolarHBondContact O-CA 3.01Å; W116-A149 PolarHBondContact O-N 3.32Å
117	I	98.4	Very high	94.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.1	166.6	-52.9	-52.9	0	0	0	108.8	S70 G71 A72 L79 V115 A149 P150 V152 A155	S70-I117 WeakPolarHBondContact CA-O 3.19Å; S70-I117 PolarHBondContact OG-N 3.18Å; G71-I117 PolarHBondContact N-O 2.83Å; A72-I117 HydrophobicContact CB-CB 4.11Å; A72-I117 HydrophobicContact CB-CG1 3.66Å; L79-I117 HydrophobicContact CD1-CD1 4.31Å; L79-I117 HydrophobicContact CD1-CG1 4Å; V115-I117 HydrophobicContact CG1-CD1 4.45Å; I117-A149 CarbonylContact C-O 3.58Å; I117-A149 WeakPolarHBondContact CA-O 3.22Å; I117-A149 HydrophobicContact CD1-CB 4.33Å; I117-P150 WeakPolarHBondContact CG2-O 3.49Å; I117-V152 HydrophobicContact CG1-CG1 4.48Å; I117-A155 HydrophobicContact CD1-CB 3.64Å
118	T	97.5	Very high	95.1	Very high	59 Å²	59	47.5 Å²	47.5	36%	0.362	26%	0.258	S	S	.	.			trans	-86.5	-24.8	-172.4	57	0	0	0	0	113.5	W116 K148 A149 P150	W116-T118 HydrophobicContact CD2-CG2 4.28Å; W116-T118 HydrophobicContact CG-CG2 4.36Å; T118-K148 HydrophobicContact CG2-CD 3.99Å; T118-K148 VanDerWaalsContact CG2-CE 3.4Å; T118-K148 HydrophobicContact CG2-CG 3.47Å; T118-K148 VanDerWaalsContact CG2-CG 3.47Å; T118-A149 PolarHBondContact N-O 2.89Å; T118-A149 PolarHBondContact OG1-O 3.18Å; T118-P150 WeakPolarHBondContact OG1-CA 3.44Å
119	S	94.7	Very high	95.6	Very high	26 Å²	26	46.7 Å²	46.7	18%	0.182	25%	0.254	C	S	.	.	S	Bend	trans	-78.4	135.7	173.9	179.2	0	0	0	0	111.1	D121 P150	S119-D121 VanDerWaalsContact C-N 3.26Å; S119-D121 WeakPolarHBondContact CB-O 3.16Å; S119-D121 PolarHBondContact O-N 3.29Å; S119-D121 PolarHBondContact OG-N 3.04Å; S119-D121 PolarHBondContact OG-O 3.23Å; S119-P150 WeakPolarHBondContact CB-O 3.43Å; S119-P150 PolarHBondContact N-O 3.25Å
120	P	90.1	Very high	95.7	Very high	124 Å²	124	46.3 Å²	46.3	81%	0.805	25%	0.253	S	S	*	.	S	Bend	trans	-61.9	-33.7	168.3	-21.5	32.4	0	0	0	113.1	S122	P120-S122 PolarHBondContact O-N 2.92Å
121	D	92.1	Very high	95.8	Very high	94 Å²	94	51.2 Å²	51.2	50%	0.503	29%	0.288	S	S	.	.			trans	-89.1	96.4	169.1	170.2	29.5	0	0	0	108.3	S119 E123 K151	S119-D121 VanDerWaalsContact C-N 3.26Å; S119-D121 WeakPolarHBondContact CB-O 3.16Å; S119-D121 PolarHBondContact O-N 3.29Å; S119-D121 PolarHBondContact OG-N 3.04Å; S119-D121 PolarHBondContact OG-O 3.23Å; D121-E123 VanDerWaalsContact C-N 3.31Å; D121-E123 PolarHBondContact OD1-N 3.48Å; D121-K151 WeakPolarHBondContact O-CD 3.17Å; D121-K151 WeakPolarHBondContact O-CE 3.3Å; D121-K151 PolarHBondContact O-NZ 2.93Å; D121-K151 IonicContact OD2-NZ 2.73Å; D121-K151 PolarHBondContact OD2-NZ 3Å
122	S	89.9	Confident	95.9	Very high	17 Å²	17	49.4 Å²	49.4	12%	0.119	28%	0.279	C	S	.	.			trans	-78	-16.3	-175.7	77.3	0	0	0	0	113.4	P120 C124 V152	P120-S122 PolarHBondContact O-N 2.92Å; S122-C124 PolarHBondContact O-N 3.23Å; S122-C124 WeakPolarHBondContact OG-CB 3.37Å; S122-C124 PolarHBondContact OG-N 3.01Å; S122-V152 VanDerWaalsContact O-CG1 3.29Å; S122-V152 WeakPolarHBondContact O-CG1 3.33Å; S122-V152 WeakPolarHBondContact O-CG2 3.35Å; S122-V152 PolarHBondContact O-N 3.29Å
123	E	95.6	Very high	96	Very high	52 Å²	52	50.3 Å²	50.3	24%	0.243	29%	0.286	C	S	.	.			trans	59.9	21.9	-170	-62.5	171.2	-152.6	0	0	114.6	D121 D125 G126 K151 W153	D121-E123 VanDerWaalsContact C-N 3.31Å; D121-E123 PolarHBondContact OD1-N 3.48Å; E123-D125 VanDerWaalsContact C-N 3.32Å; E123-D125 PolarHBondContact O-N 3.01Å; E123-G126 PolarHBondContact O-N 3.1Å; E123-G126 VanDerWaalsContact O-N 3.08Å; E123-K151 HydrophobicContact CG-CD 4.13Å; E123-K151 WeakPolarHBondContact OE1-CD 3.47Å; E123-K151 WeakPolarHBondContact OE1-CE 3.46Å; E123-K151 IonicContact OE1-NZ 2.84Å; E123-K151 PolarHBondContact OE1-NZ 3.06Å; E123-W153 HydrophobicContact CB-CZ2 4.09Å; E123-W153 WeakPolarHBondContact O-CZ2 3.48Å; E123-W153 PolarHBondContact OE2-NE1 2.82Å
124	C	94.8	Very high	96	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.041	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-36.1	-173.1	-175	0	0	0	0	114.1	C76 S122 V152 R267	C76-C124 WeakPolarHBondContact CA-SG 3.49Å; C76-C124 HydrophobicContact CB-CB 3.91Å; C76-C124 WeakPolarHBondContact CB-SG 3.38Å; C76-C124 WeakPolarHBondContact SG-CB 3.35Å; C76-C124 CovalentContact SG-SG 2.02Å; C76-C124 PolarHBondContact SG-SG 2.8Å; S122-C124 PolarHBondContact O-N 3.23Å; S122-C124 WeakPolarHBondContact OG-CB 3.37Å; S122-C124 PolarHBondContact OG-N 3.01Å; C124-V152 HydrophobicContact CB-CG1 4.04Å; C124-R267 PolarHBondContact O-NH1 3.38Å
125	D	94.6	Very high	96	Very high	142 Å²	142	49.8 Å²	49.8	76%	0.759	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.9	179.5	-58.4	-46.8	0	0	0	112.4	E123	E123-D125 VanDerWaalsContact C-N 3.32Å; E123-D125 PolarHBondContact O-N 3.01Å
126	G	95.4	Very high	96.1	Very high	28 Å²	28	50 Å²	50	29%	0.289	29%	0.287	S	S	.	.	S	Bend	trans	-85.6	176.8	179.8	0	0	0	0	0	113.5	E123 R267	E123-G126 PolarHBondContact O-N 3.1Å; E123-G126 VanDerWaalsContact O-N 3.08Å; G126-R267 VanDerWaalsContact O-CD 3.31Å; G126-R267 WeakPolarHBondContact O-CD 3.32Å; G126-R267 PolarHBondContact O-NH1 3.3Å; G126-R267 VanDerWaalsContact O-NH1 3.11Å
127	Y	97.5	Very high	96.1	Very high	109 Å²	109	50.6 Å²	50.6	43%	0.427	29%	0.293	S	S	.	.			trans	-101.1	143.7	167.3	-70.4	-84.8	0	0	0	109.7	I263 R267 P333	Y127-I263 HydrophobicContact CE1-CG2 3.66Å; Y127-R267 HydrophobicContact CD1-CB 4.09Å; Y127-R267 HydrophobicContact CD1-CG 3.65Å; Y127-R267 HydrophobicContact CE1-CB 4.09Å; Y127-R267 VanDerWaalsContact CE1-CD 3.45Å; Y127-R267 HydrophobicContact CE1-CG 3.9Å; Y127-R267 HydrophobicContact CG-CG 4.38Å; Y127-P333 HydrophobicContact CD1-CB 4.15Å; Y127-P333 HydrophobicContact CD1-CG 3.64Å; Y127-P333 HydrophobicContact CD2-CB 3.8Å; Y127-P333 HydrophobicContact CD2-CG 4.18Å; Y127-P333 HydrophobicContact CE1-CB 4.17Å; Y127-P333 HydrophobicContact CE1-CG 3.49Å; Y127-P333 VanDerWaalsContact CE1-CG 3.49Å; Y127-P333 HydrophobicContact CE2-CB 3.79Å; Y127-P333 HydrophobicContact CE2-CG 4.04Å; Y127-P333 HydrophobicContact CG-CB 3.98Å; Y127-P333 HydrophobicContact CG-CG 3.99Å
128	P	97.6	Very high	96.1	Very high	11 Å²	11	50.6 Å²	50.6	7%	0.071	29%	0.293	C	S	.	.			trans	-63.8	155.1	172.9	28.5	-34.1	0	0	0	110.5	S132 W153 R272	P128-S132 WeakPolarHBondContact CA-OG 3.47Å; P128-W153 HydrophobicContact CB-CD2 4.23Å; P128-W153 HydrophobicContact CB-CE3 4.24Å; P128-W153 HydrophobicContact CB-CH2 4.3Å; P128-W153 HydrophobicContact CB-CZ2 4.28Å; P128-W153 HydrophobicContact CB-CZ3 4.27Å; P128-W153 HydrophobicContact CG-CH2 4.46Å; P128-W153 HydrophobicContact CG-CZ3 4.38Å; P128-R272 HydrophobicContact CB-CG 4Å; P128-R272 HydrophobicContact CG-CG 3.78Å; P128-R272 WeakPolarHBondContact O-CG 3.29Å
129	S	96.8	Very high	96.2	Very high	38 Å²	38	50.7 Å²	50.7	27%	0.266	29%	0.294	S	S	.	.			trans	-137.4	171.1	179.4	70.4	0	0	0	0	110.1	S131 S132	S129-S131 PolarHBondContact O-N 2.74Å; S129-S131 VanDerWaalsContact O-N 3.16Å; S129-S131 PolarHBondContact OG-N 3.29Å; S129-S131 PolarHBondContact OG-OG 3.11Å; S129-S131 VanDerWaalsContact OG-OG 3.06Å; S129-S132 PolarHBondContact N-OG 3.08Å; S129-S132 VanDerWaalsContact O-CB 3.31Å; S129-S132 WeakPolarHBondContact O-CB 3.29Å; S129-S132 PolarHBondContact O-N 3.44Å; S129-S132 VanDerWaalsContact O-N 3.08Å; S129-S132 PolarHBondContact O-OG 3.08Å; S129-S132 PolarHBondContact OG-N 3.44Å; S129-S132 PolarHBondContact OG-OG 2.76Å
130	V	95.3	Very high	96.3	Very high	39 Å²	39	49.5 Å²	49.5	24%	0.236	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.3	174.8	71	0	0	0	0	112.9	P188 Y336 I472	V130-P188 HydrophobicContact CG2-CB 4.13Å; V130-P188 HydrophobicContact CG2-CG 4.23Å; V130-P188 VanDerWaalsContact O-CB 3.28Å; V130-P188 WeakPolarHBondContact O-CB 3.49Å; V130-Y336 HydrophobicContact CG1-CE2 4.29Å; V130-I472 HydrophobicContact CG2-CD1 4.34Å
131	S	96	Very high	96.5	Very high	103 Å²	103	47.5 Å²	47.5	72%	0.72	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	4	177.8	53.7	0	0	0	0	113.9	S129 D133	S129-S131 PolarHBondContact O-N 2.74Å; S129-S131 VanDerWaalsContact O-N 3.16Å; S129-S131 PolarHBondContact OG-N 3.29Å; S129-S131 PolarHBondContact OG-OG 3.11Å; S129-S131 VanDerWaalsContact OG-OG 3.06Å; S131-D133 PolarHBondContact O-N 3.06Å
132	S	97.7	Very high	96.3	Very high	12 Å²	12	46.8 Å²	46.8	8%	0.084	26%	0.262	C	S	.	.			trans	-63.1	133.7	-180	-76.6	0	0	0	0	110.9	P128 S129 E134 W153	P128-S132 WeakPolarHBondContact CA-OG 3.47Å; S129-S132 PolarHBondContact N-OG 3.08Å; S129-S132 VanDerWaalsContact O-CB 3.31Å; S129-S132 WeakPolarHBondContact O-CB 3.29Å; S129-S132 PolarHBondContact O-N 3.44Å; S129-S132 VanDerWaalsContact O-N 3.08Å; S129-S132 PolarHBondContact O-OG 3.08Å; S129-S132 PolarHBondContact OG-N 3.44Å; S129-S132 PolarHBondContact OG-OG 2.76Å; S132-E134 PolarHBondContact O-N 2.99Å; S132-W153 PolarHBondContact OG-NE1 3.45Å
133	D	98.4	Very high	96.5	Very high	65 Å²	65	49 Å²	49	35%	0.348	28%	0.276	S	S	.	.			trans	-78.6	112.7	179.3	-167.1	-27.9	0	0	0	110.5	S131 S135 P150 K151 G154	S131-D133 PolarHBondContact O-N 3.06Å; D133-S135 VanDerWaalsContact OD1-CB 3.27Å; D133-S135 WeakPolarHBondContact OD1-CB 3.33Å; D133-S135 PolarHBondContact OD1-N 3.21Å; D133-S135 PolarHBondContact OD1-OG 3.31Å; D133-P150 HydrophobicContact CB-CB 4.37Å; D133-P150 WeakPolarHBondContact OD2-CB 3.35Å; D133-P150 WeakPolarHBondContact OD2-CG 3.47Å; D133-K151 HydrophobicContact CB-CB 4.44Å; D133-K151 HydrophobicContact CB-CG 3.91Å; D133-G154 PolarHBondContact O-N 3.09Å
134	E	98.8	Very high	96.5	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.047	28%	0.28	C	S	.	.			trans	-103.5	7.2	-177.7	-63.8	-174.8	-78.8	0	0	112.7	S132 W153 G154 H157 P185 R190 N219	S132-E134 PolarHBondContact O-N 2.99Å; E134-W153 HydrophobicContact CG-CB 4.23Å; E134-G154 WeakPolarHBondContact O-CA 3.2Å; E134-H157 IonicContact OE2-CD2 3.48Å; E134-H157 IonicContact OE2-CE1 3.16Å; E134-H157 IonicContact OE2-NE2 3.32Å; E134-H157 PolarHBondContact OE2-NE2 3.43Å; E134-P185 HydrophobicContact CB-CG 3.88Å; E134-R190 IonicContact OE1-CZ 3.72Å; E134-R190 IonicContact OE1-NH1 2.72Å; E134-R190 PolarHBondContact OE1-NH1 3.43Å; E134-R190 IonicContact OE1-NH2 3.74Å; E134-R190 PolarHBondContact OE1-NH2 3.01Å; E134-R190 VanDerWaalsContact OE1-NH2 3.1Å; E134-R190 IonicContact OE2-CZ 3.91Å; E134-R190 IonicContact OE2-NH1 2.85Å; E134-R190 IonicContact OE2-NH2 3.28Å; E134-R190 PolarHBondContact OE2-NH2 3.18Å; E134-N219 PolarHBondContact OE1-ND2 3.34Å; E134-N219 PolarHBondContact OE2-ND2 2.95Å
135	S	98.9	Very high	96.7	Very high	30 Å²	30	49.3 Å²	49.3	21%	0.21	28%	0.278	C	S	.	.			trans	-75.9	149.1	-179.3	69.8	0	0	0	0	112.6	D133 P150 G154 D183	D133-S135 VanDerWaalsContact OD1-CB 3.27Å; D133-S135 WeakPolarHBondContact OD1-CB 3.33Å; D133-S135 PolarHBondContact OD1-N 3.21Å; D133-S135 PolarHBondContact OD1-OG 3.31Å; S135-P150 VanDerWaalsContact O-CD 3.25Å; S135-P150 WeakPolarHBondContact O-CD 3.33Å; S135-G154 WeakPolarHBondContact O-CA 3.44Å; S135-D183 VanDerWaalsContact CA-O 3.31Å; S135-D183 WeakPolarHBondContact CA-O 3.23Å
136	Y	98.9	Very high	96.9	Very high	4 Å²	4	45 Å²	45	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.9	174.3	68	-85.5	0	0	0	112.5	L138 L147 K148 G154 H157 G158 T161 I181 D183 W504	Y136-L138 HydrophobicContact CD2-CB 4.26Å; Y136-L138 HydrophobicContact CE2-CB 4.25Å; Y136-L147 HydrophobicContact CD2-CD1 3.66Å; Y136-L147 HydrophobicContact CG-CD1 4.1Å; Y136-K148 CarbonylContact C-O 3.52Å; Y136-K148 VanDerWaalsContact CA-O 3.31Å; Y136-K148 WeakPolarHBondContact CA-O 3.42Å; Y136-G154 WeakPolarHBondContact CD1-O 3.45Å; Y136-H157 HydrophobicContact CD1-CB 3.98Å; Y136-H157 HydrophobicContact CE1-CB 3.77Å; Y136-G158 VanDerWaalsContact CE2-CA 3.45Å; Y136-T161 HydrophobicContact CE2-CG2 4.42Å; Y136-T161 WeakPolarHBondContact OH-CB 3.2Å; Y136-T161 PolarHBondContact OH-OG1 3.05Å; Y136-I181 HydrophobicContact CE2-CG2 4.06Å; Y136-D183 HydrophobicContact CD1-CB 4.25Å; Y136-D183 HydrophobicContact CE1-CB 3.6Å; Y136-D183 WeakPolarHBondContact CE1-OD2 3.33Å; Y136-D183 HydrophobicContact CE2-CB 4.02Å; Y136-D183 VanDerWaalsContact CZ-CB 3.44Å; Y136-D183 PolarHBondContact N-O 3.44Å; Y136-D183 PolarHBondContact O-N 2.99Å; Y136-D183 WeakPolarHBondContact OH-CB 3.33Å; Y136-D183 PolarHBondContact OH-OD2 3.09Å; Y136-W504 HydrophobicContact CE1-CH2 4.49Å; Y136-W504 HydrophobicContact CE1-CZ2 4.03Å
137	E	98.9	Very high	97	Very high	93 Å²	93	43.6 Å²	43.6	44%	0.435	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.4	170.2	-63.5	175.4	162.6	0	0	108.2	K148 I181	E137-K148 HydrophobicContact CB-CB 4.41Å; E137-K148 PolarHBondContact N-O 3.28Å; E137-K148 PolarHBondContact O-N 3.44Å; E137-K148 IonicContact OE2-NZ 3.49Å; E137-I181 CarbonylContact C-O 3.1Å; E137-I181 WeakPolarHBondContact CA-O 3.46Å
138	L	98.9	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.7	177.1	177.2	66.5	0	0	0	109.3	L113 Y136 V140 L147 T161 F162 L165 V180 I181	L113-L138 HydrophobicContact CD1-CD1 4.1Å; Y136-L138 HydrophobicContact CD2-CB 4.26Å; Y136-L138 HydrophobicContact CE2-CB 4.25Å; L138-V140 HydrophobicContact CD1-CG2 4.39Å; L138-V140 HydrophobicContact CD2-CG2 4.35Å; L138-V140 HydrophobicContact CG-CG2 4.15Å; L138-L147 HydrophobicContact CB-CD1 4.35Å; L138-L147 HydrophobicContact CD1-CB 3.97Å; L138-L147 HydrophobicContact CD1-CD1 4.37Å; L138-T161 HydrophobicContact CD2-CG2 4.27Å; L138-F162 HydrophobicContact CD1-CD2 4.09Å; L138-F162 HydrophobicContact CD2-CB 3.98Å; L138-F162 HydrophobicContact CD2-CD2 4.28Å; L138-L165 HydrophobicContact CD2-CD1 3.85Å; L138-V180 CarbonylContact O-C 3.18Å; L138-V180 WeakPolarHBondContact O-CA 3.43Å; L138-I181 HydrophobicContact CB-CB 4.26Å; L138-I181 PolarHBondContact N-O 3.19Å; L138-I181 PolarHBondContact O-N 3.31Å
139	T	98.7	Very high	97.1	Very high	62 Å²	62	41.5 Å²	41.5	38%	0.38	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.4	172.9	-58.9	0	0	0	0	109	A145 V146 T179 V180	T139-A145 CarbonylContact O-C 3.54Å; T139-A145 VanDerWaalsContact O-CA 3.27Å; T139-A145 WeakPolarHBondContact O-CA 3.49Å; T139-V146 PolarHBondContact N-O 3.1Å; T139-V146 PolarHBondContact O-N 2.75Å; T139-T179 CarbonylContact C-O 3.55Å; T139-T179 WeakPolarHBondContact CA-O 3.28Å; T139-V180 HydrophobicContact CG2-CG2 4.41Å
140	V	98.1	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	105.2	175.2	-178.1	0	0	0	0	108.1	L55 L110 L138 A145 F162 L165 I176 S178 T179	L55-V140 HydrophobicContact CD1-CG1 4.2Å; L110-V140 HydrophobicContact CD2-CG1 4.22Å; L138-V140 HydrophobicContact CD1-CG2 4.39Å; L138-V140 HydrophobicContact CD2-CG2 4.35Å; L138-V140 HydrophobicContact CG-CG2 4.15Å; V140-A145 HydrophobicContact CG2-CB 4.45Å; V140-F162 HydrophobicContact CG2-CD2 4.17Å; V140-F162 HydrophobicContact CG2-CE2 4.2Å; V140-L165 HydrophobicContact CG2-CD1 4.21Å; V140-I176 HydrophobicContact CG1-CD1 3.81Å; V140-I176 HydrophobicContact CG1-CG1 4.05Å; V140-I176 HydrophobicContact CG1-CG2 4Å; V140-I176 HydrophobicContact CG2-CD1 4.01Å; V140-S178 VanDerWaalsContact O-CA 3.22Å; V140-S178 WeakPolarHBondContact O-CA 3.38Å; V140-S178 WeakPolarHBondContact O-CB 3.45Å; V140-S178 PolarHBondContact O-OG 2.93Å; V140-T179 PolarHBondContact N-O 2.83Å; V140-T179 PolarHBondContact O-N 3.07Å
141	D	94.3	Very high	97.3	Very high	83 Å²	83	40.9 Å²	40.9	44%	0.444	23%	0.228	S	C	.	.			trans	-145.1	168.4	173.3	-161.9	5.5	0	0	0	109.6	L110 I144	L110-D141 VanDerWaalsContact CD1-O 3.27Å; L110-D141 WeakPolarHBondContact CD1-O 3.3Å; D141-I144 CarbonylContact O-C 3.6Å; D141-I144 PolarHBondContact O-N 3.38Å
142	Q	87.7	Confident	97.5	Very high	78 Å²	78	36 Å²	36	36%	0.364	19%	0.194	S	C	.	.	S	Bend	trans	-94.7	148.3	-177.3	63.7	175.6	6.2	0	0	113.5	L55 P107 I144	L55-Q142 HydrophobicContact CD1-CB 4.27Å; L55-Q142 HydrophobicContact CD2-CB 3.97Å; L55-Q142 HydrophobicContact CD2-CG 4.3Å; P107-Q142 VanDerWaalsContact O-CD 3.24Å; P107-Q142 PolarHBondContact O-NE2 2.82Å; P107-Q142 PolarHBondContact O-OE1 3.33Å; Q142-I144 VanDerWaalsContact C-N 3.32Å
143	P	93.4	Very high	97.5	Very high	65 Å²	65	35.5 Å²	35.5	42%	0.422	19%	0.19	S	C	.	.	S	Bend	cis	-85.4	2.8	-5.5	31.9	-30.2	0	0	0	113.6	L111	L111-P143 PolarHBondContact N-O 2.68Å
144	I	96.2	Very high	97.5	Very high	64 Å²	64	32.4 Å²	32.4	33%	0.328	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	120.9	-169.4	-59.5	169.3	0	0	0	109.6	E112 Q114 D141 Q142 V146	E112-I144 HydrophobicContact CB-CG1 4.22Å; E112-I144 HydrophobicContact CB-CG2 4.32Å; E112-I144 WeakPolarHBondContact O-CA 3.19Å; Q114-I144 HydrophobicContact CB-CG2 4.21Å; Q114-I144 HydrophobicContact CG-CG2 3.68Å; D141-I144 CarbonylContact O-C 3.6Å; D141-I144 PolarHBondContact O-N 3.38Å; Q142-I144 VanDerWaalsContact C-N 3.32Å; I144-V146 HydrophobicContact CG2-CG2 4.42Å
145	A	98.3	Very high	97.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.8	166.8	0	0	0	0	0	109.6	L110 E112 L113 Q114 T139 V140 F162	L110-A145 HydrophobicContact CD1-CB 3.86Å; L110-A145 HydrophobicContact CD2-CB 4.29Å; E112-A145 PolarHBondContact O-N 2.97Å; L113-A145 WeakPolarHBondContact CA-O 3.2Å; L113-A145 HydrophobicContact CD1-CB 3.73Å; Q114-A145 PolarHBondContact N-O 2.84Å; T139-A145 CarbonylContact O-C 3.54Å; T139-A145 VanDerWaalsContact O-CA 3.27Å; T139-A145 WeakPolarHBondContact O-CA 3.49Å; V140-A145 HydrophobicContact CG2-CB 4.45Å; A145-F162 HydrophobicContact CB-CE2 4.06Å
146	V	98.6	Very high	97.5	Very high	50 Å²	50	30.8 Å²	30.8	30%	0.303	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.3	-179.5	-178	0	0	0	0	109.3	Q114 T139 I144	Q114-V146 WeakPolarHBondContact O-CA 3.46Å; T139-V146 PolarHBondContact N-O 3.1Å; T139-V146 PolarHBondContact O-N 2.75Å; I144-V146 HydrophobicContact CG2-CG2 4.42Å
147	L	98.8	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.7	168.9	170.8	58.3	0	0	0	108.6	L113 Q114 V115 W116 Y136 L138 A155 L159	L113-L147 HydrophobicContact CD1-CB 4.02Å; Q114-L147 PolarHBondContact O-N 2.83Å; V115-L147 CarbonylContact C-O 3.41Å; V115-L147 WeakPolarHBondContact CA-O 3.4Å; V115-L147 HydrophobicContact CG1-CD2 4.48Å; V115-L147 HydrophobicContact CG2-CB 4.42Å; V115-L147 HydrophobicContact CG2-CD2 4.28Å; W116-L147 PolarHBondContact N-O 3.19Å; Y136-L147 HydrophobicContact CD2-CD1 3.66Å; Y136-L147 HydrophobicContact CG-CD1 4.1Å; L138-L147 HydrophobicContact CB-CD1 4.35Å; L138-L147 HydrophobicContact CD1-CB 3.97Å; L138-L147 HydrophobicContact CD1-CD1 4.37Å; L147-A155 HydrophobicContact CD2-CB 4.49Å; L147-A155 WeakPolarHBondContact CD2-O 3.42Å; L147-L159 HydrophobicContact CD2-CD2 4.19Å; L147-L159 HydrophobicContact CD2-CG 3.88Å
148	K	98.7	Very high	97.5	Very high	74 Å²	74	26.4 Å²	26.4	32%	0.322	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.5	-178.8	-175.7	-177.1	167.8	-159.1	0	109.8	W116 T118 Y136 E137	W116-K148 HydrophobicContact CD2-CG 4.43Å; W116-K148 HydrophobicContact CE3-CD 4.12Å; W116-K148 HydrophobicContact CE3-CG 4.25Å; W116-K148 HydrophobicContact CZ3-CD 4.4Å; W116-K148 WeakPolarHBondContact O-CA 3.01Å; T118-K148 HydrophobicContact CG2-CD 3.99Å; T118-K148 VanDerWaalsContact CG2-CE 3.4Å; T118-K148 HydrophobicContact CG2-CG 3.47Å; T118-K148 VanDerWaalsContact CG2-CG 3.47Å; Y136-K148 CarbonylContact C-O 3.52Å; Y136-K148 VanDerWaalsContact CA-O 3.31Å; Y136-K148 WeakPolarHBondContact CA-O 3.42Å; E137-K148 HydrophobicContact CB-CB 4.41Å; E137-K148 PolarHBondContact N-O 3.28Å; E137-K148 PolarHBondContact O-N 3.44Å; E137-K148 IonicContact OE2-NZ 3.49Å
149	A	98.6	Very high	97.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150	177.6	0	0	0	0	0	111.1	W116 I117 T118 K151 A155	W116-A149 PolarHBondContact O-N 3.32Å; I117-A149 CarbonylContact C-O 3.58Å; I117-A149 WeakPolarHBondContact CA-O 3.22Å; I117-A149 HydrophobicContact CD1-CB 4.33Å; T118-A149 PolarHBondContact N-O 2.89Å; T118-A149 PolarHBondContact OG1-O 3.18Å; A149-K151 WeakPolarHBondContact CB-O 3.35Å; A149-A155 HydrophobicContact CB-CB 4.12Å
150	P	98.2	Very high	97.5	Very high	36 Å²	36	23.5 Å²	23.5	23%	0.234	13%	0.125	C	C	.	.	S	Bend	trans	-62	-46	170.4	-27	39	0	0	0	112.6	I117 T118 S119 D133 S135	I117-P150 WeakPolarHBondContact CG2-O 3.49Å; T118-P150 WeakPolarHBondContact OG1-CA 3.44Å; S119-P150 WeakPolarHBondContact CB-O 3.43Å; S119-P150 PolarHBondContact N-O 3.25Å; D133-P150 HydrophobicContact CB-CB 4.37Å; D133-P150 WeakPolarHBondContact OD2-CB 3.35Å; D133-P150 WeakPolarHBondContact OD2-CG 3.47Å; S135-P150 VanDerWaalsContact O-CD 3.25Å; S135-P150 WeakPolarHBondContact O-CD 3.33Å
151	K	98.3	Very high	97.6	Very high	28 Å²	28	23.5 Å²	23.5	12%	0.122	13%	0.125	C	C	.	.	S	Bend	trans	-129.4	168.1	-174.9	-58.6	-65.6	-176.6	143.2	0	111.2	D121 E123 D133 A149 W153 G154	D121-K151 WeakPolarHBondContact O-CD 3.17Å; D121-K151 WeakPolarHBondContact O-CE 3.3Å; D121-K151 PolarHBondContact O-NZ 2.93Å; D121-K151 IonicContact OD2-NZ 2.73Å; D121-K151 PolarHBondContact OD2-NZ 3Å; E123-K151 HydrophobicContact CG-CD 4.13Å; E123-K151 WeakPolarHBondContact OE1-CD 3.47Å; E123-K151 WeakPolarHBondContact OE1-CE 3.46Å; E123-K151 IonicContact OE1-NZ 2.84Å; E123-K151 PolarHBondContact OE1-NZ 3.06Å; D133-K151 HydrophobicContact CB-CB 4.44Å; D133-K151 HydrophobicContact CB-CG 3.91Å; A149-K151 WeakPolarHBondContact CB-O 3.35Å; K151-W153 PolarHBondContact O-N 2.73Å; K151-G154 PolarHBondContact O-N 2.84Å
152	V	98.5	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-27.2	179.2	-67.8	0	0	0	0	113.4	L78 L79 I117 S122 C124 A155 L156	L78-V152 HydrophobicContact CD1-CG2 4.4Å; L78-V152 HydrophobicContact CD2-CB 4.11Å; L78-V152 HydrophobicContact CD2-CG2 4.41Å; L79-V152 HydrophobicContact CD1-CG1 4.04Å; L79-V152 HydrophobicContact CD2-CB 4.45Å; L79-V152 HydrophobicContact CD2-CG1 4.47Å; L79-V152 HydrophobicContact CG-CG1 4.12Å; I117-V152 HydrophobicContact CG1-CG1 4.48Å; S122-V152 VanDerWaalsContact O-CG1 3.29Å; S122-V152 WeakPolarHBondContact O-CG1 3.33Å; S122-V152 WeakPolarHBondContact O-CG2 3.35Å; S122-V152 PolarHBondContact O-N 3.29Å; C124-V152 HydrophobicContact CB-CG1 4.04Å; V152-A155 WeakPolarHBondContact O-CB 3.29Å; V152-A155 PolarHBondContact O-N 3.29Å; V152-L156 PolarHBondContact O-N 3.33Å; V152-L156 VanDerWaalsContact O-N 3.08Å
153	W	98.6	Very high	98.3	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-46.7	-177.5	-39.2	115.6	0	0	0	112.1	L78 E123 P128 S132 E134 K151 A155 L156 H157	L78-W153 HydrophobicContact CD1-CH2 4.15Å; L78-W153 HydrophobicContact CD1-CZ3 3.7Å; E123-W153 HydrophobicContact CB-CZ2 4.09Å; E123-W153 WeakPolarHBondContact O-CZ2 3.48Å; E123-W153 PolarHBondContact OE2-NE1 2.82Å; P128-W153 HydrophobicContact CB-CD2 4.23Å; P128-W153 HydrophobicContact CB-CE3 4.24Å; P128-W153 HydrophobicContact CB-CH2 4.3Å; P128-W153 HydrophobicContact CB-CZ2 4.28Å; P128-W153 HydrophobicContact CB-CZ3 4.27Å; P128-W153 HydrophobicContact CG-CH2 4.46Å; P128-W153 HydrophobicContact CG-CZ3 4.38Å; S132-W153 PolarHBondContact OG-NE1 3.45Å; E134-W153 HydrophobicContact CG-CB 4.23Å; K151-W153 PolarHBondContact O-N 2.73Å; W153-A155 VanDerWaalsContact C-N 3.28Å; W153-A155 PolarHBondContact O-N 2.94Å; W153-L156 HydrophobicContact CE3-CD1 4.33Å; W153-L156 WeakPolarHBondContact O-CB 3.27Å; W153-L156 PolarHBondContact O-N 3.35Å; W153-L156 VanDerWaalsContact O-N 3.17Å; W153-H157 PolarHBondContact O-CD2 3.36Å; W153-H157 PolarHBondContact O-N 3Å
154	G	98.7	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.8	-36.3	172.7	0	0	0	0	0	113.1	D133 E134 S135 Y136 K151 L156 H157 G158	D133-G154 PolarHBondContact O-N 3.09Å; E134-G154 WeakPolarHBondContact O-CA 3.2Å; S135-G154 WeakPolarHBondContact O-CA 3.44Å; Y136-G154 WeakPolarHBondContact CD1-O 3.45Å; K151-G154 PolarHBondContact O-N 2.84Å; G154-L156 PolarHBondContact O-N 3.38Å; G154-H157 PolarHBondContact O-N 3.43Å; G154-G158 PolarHBondContact O-N 3.25Å
155	A	98.8	Very high	98.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.2	-36.6	175.2	0	0	0	0	0	112.7	L79 V115 I117 L147 A149 V152 W153 H157 G158 L159	L79-A155 HydrophobicContact CD2-CB 4.1Å; V115-A155 HydrophobicContact CG1-CB 3.91Å; I117-A155 HydrophobicContact CD1-CB 3.64Å; L147-A155 HydrophobicContact CD2-CB 4.49Å; L147-A155 WeakPolarHBondContact CD2-O 3.42Å; A149-A155 HydrophobicContact CB-CB 4.12Å; V152-A155 WeakPolarHBondContact O-CB 3.29Å; V152-A155 PolarHBondContact O-N 3.29Å; W153-A155 VanDerWaalsContact C-N 3.28Å; W153-A155 PolarHBondContact O-N 2.94Å; A155-H157 VanDerWaalsContact C-N 3.35Å; A155-H157 PolarHBondContact O-N 2.95Å; A155-G158 PolarHBondContact O-N 3.33Å; A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 VanDerWaalsContact O-CG 3.22Å; A155-L159 WeakPolarHBondContact O-CG 3.36Å; A155-L159 PolarHBondContact O-N 3.21Å
156	L	98.9	Very high	98.5	Very high	6 Å²	6	12 Å²	12	3%	0.031	6%	0.063	C	C	.	.	H	α-helix	trans	-60.8	-44.4	173.3	-68.6	177.1	0	0	0	111.6	L78 A82 V152 W153 G154 L159 E160 R269	L78-L156 HydrophobicContact CD2-CD1 4Å; L78-L156 HydrophobicContact CD2-CD2 3.86Å; L78-L156 HydrophobicContact CD2-CG 4.03Å; A82-L156 HydrophobicContact CB-CD2 3.53Å; V152-L156 PolarHBondContact O-N 3.33Å; V152-L156 VanDerWaalsContact O-N 3.08Å; W153-L156 HydrophobicContact CE3-CD1 4.33Å; W153-L156 WeakPolarHBondContact O-CB 3.27Å; W153-L156 PolarHBondContact O-N 3.35Å; W153-L156 VanDerWaalsContact O-N 3.17Å; G154-L156 PolarHBondContact O-N 3.38Å; L156-L159 PolarHBondContact O-N 2.69Å; L156-E160 PolarHBondContact O-N 3.16Å; L156-E160 VanDerWaalsContact O-N 3.13Å; L156-R269 VanDerWaalsContact CD1-C 3.5Å
157	H	98.8	Very high	98.3	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.028	7%	0.068	C	C	.	.	H	α-helix	trans	-66.4	-39.8	177.8	-64.7	-49.9	0	0	0	112.6	E134 Y136 W153 G154 A155 E160 T161 K217 W504	E134-H157 IonicContact OE2-CD2 3.48Å; E134-H157 IonicContact OE2-CE1 3.16Å; E134-H157 IonicContact OE2-NE2 3.32Å; E134-H157 PolarHBondContact OE2-NE2 3.43Å; Y136-H157 HydrophobicContact CD1-CB 3.98Å; Y136-H157 HydrophobicContact CE1-CB 3.77Å; W153-H157 PolarHBondContact O-CD2 3.36Å; W153-H157 PolarHBondContact O-N 3Å; G154-H157 PolarHBondContact O-N 3.43Å; A155-H157 VanDerWaalsContact C-N 3.35Å; A155-H157 PolarHBondContact O-N 2.95Å; H157-E160 WeakPolarHBondContact O-CB 3.49Å; H157-E160 PolarHBondContact O-N 3.24Å; H157-T161 PolarHBondContact O-N 3.48Å; H157-T161 PolarHBondContact O-OG1 2.97Å; H157-K217 HydrophobicContact CB-CD 4.15Å; H157-K217 WeakPolarHBondContact O-CE 3.4Å; H157-W504 HydrophobicContact CB-CH2 3.85Å; H157-W504 HydrophobicContact CB-CZ2 4.48Å; H157-W504 AromaticContact CD2-CH2 3.64Å; H157-W504 AromaticContact CD2-CZ3 3.85Å; H157-W504 AromaticContact CE1-CZ3 4Å; H157-W504 AromaticContact CG-CH2 3.62Å; H157-W504 AromaticContact CG-CZ3 3.91Å; H157-W504 AromaticContact NE2-CZ3 3.89Å
158	G	98.8	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68.3	-32.8	176.2	0	0	0	0	0	113.6	Y136 G154 A155 T161 F162	Y136-G158 VanDerWaalsContact CE2-CA 3.45Å; G154-G158 PolarHBondContact O-N 3.25Å; A155-G158 PolarHBondContact O-N 3.33Å; G158-T161 PolarHBondContact O-N 2.84Å; G158-F162 WeakPolarHBondContact O-CB 3.41Å; G158-F162 PolarHBondContact O-N 3.02Å
159	L	98.9	Very high	97.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-65.6	-40.6	171.3	-73.8	168.1	0	0	0	111.5	I64 A82 Y83 Y86 L113 V115 L147 A155 L156 F162 S163	I64-L159 HydrophobicContact CD1-CD2 4.49Å; I64-L159 HydrophobicContact CG2-CD2 4.08Å; A82-L159 HydrophobicContact CB-CD1 3.83Å; Y83-L159 HydrophobicContact CD1-CD1 3.98Å; Y83-L159 HydrophobicContact CD1-CD2 4.34Å; Y83-L159 HydrophobicContact CE1-CD1 4.06Å; Y86-L159 HydrophobicContact CD1-CB 4.44Å; Y86-L159 HydrophobicContact CD2-CB 3.48Å; Y86-L159 VanDerWaalsContact CD2-CB 3.48Å; Y86-L159 HydrophobicContact CD2-CD1 4Å; Y86-L159 HydrophobicContact CD2-CG 4.25Å; Y86-L159 HydrophobicContact CE2-CB 3.56Å; Y86-L159 HydrophobicContact CE2-CD1 4.39Å; Y86-L159 HydrophobicContact CG-CB 3.95Å; L113-L159 HydrophobicContact CD2-CD2 3.84Å; V115-L159 HydrophobicContact CG2-CD2 4.26Å; L147-L159 HydrophobicContact CD2-CD2 4.19Å; L147-L159 HydrophobicContact CD2-CG 3.88Å; A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 VanDerWaalsContact O-CG 3.22Å; A155-L159 WeakPolarHBondContact O-CG 3.36Å; A155-L159 PolarHBondContact O-N 3.21Å; L156-L159 PolarHBondContact O-N 2.69Å; L159-F162 PolarHBondContact O-N 2.04Å; L159-S163 PolarHBondContact O-N 3.1Å; L159-S163 VanDerWaalsContact O-N 3.07Å
160	E	98.9	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.1	-58.6	170.9	-178.5	54.2	-143.4	0	0	109.4	Y86 L156 H157 F162 S163 Q164 R529	Y86-E160 VanDerWaalsContact CE1-CA 3.44Å; Y86-E160 HydrophobicContact CE1-CB 4.18Å; Y86-E160 WeakPolarHBondContact CE1-OE2 3.33Å; Y86-E160 WeakPolarHBondContact OH-CA 3.43Å; Y86-E160 VanDerWaalsContact OH-CB 3.3Å; Y86-E160 WeakPolarHBondContact OH-CB 3.26Å; Y86-E160 PolarHBondContact OH-OE2 3.39Å; L156-E160 PolarHBondContact O-N 3.16Å; L156-E160 VanDerWaalsContact O-N 3.13Å; H157-E160 WeakPolarHBondContact O-CB 3.49Å; H157-E160 PolarHBondContact O-N 3.24Å; E160-F162 VanDerWaalsContact C-N 3.31Å; E160-F162 PolarHBondContact O-N 3.39Å; E160-S163 WeakPolarHBondContact O-CA 3.24Å; E160-S163 WeakPolarHBondContact O-CB 3.49Å; E160-S163 PolarHBondContact O-N 2.93Å; E160-S163 PolarHBondContact O-OG 3.12Å; E160-Q164 HydrophobicContact CG-CG 4.39Å; E160-Q164 VanDerWaalsContact O-CG 3.23Å; E160-Q164 WeakPolarHBondContact O-CG 3.35Å; E160-Q164 PolarHBondContact O-N 3.48Å; E160-Q164 VanDerWaalsContact O-N 3.14Å; E160-Q164 PolarHBondContact OE1-NE2 2.93Å; E160-R529 IonicContact OE1-CZ 3.48Å; E160-R529 IonicContact OE1-NH1 3.33Å; E160-R529 PolarHBondContact OE1-NH1 3.38Å; E160-R529 VanDerWaalsContact OE1-NH1 3.08Å; E160-R529 IonicContact OE1-NH2 2.63Å; E160-R529 IonicContact OE2-NH1 3.74Å; E160-R529 PolarHBondContact OE2-NH1 3.46Å
161	T	98.9	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.2	-44.2	-179	-63.1	0	0	0	0	112.9	L41 P45 Y136 L138 H157 G158 S163 Q164 L165 I181 K217	L41-T161 HydrophobicContact CD2-CG2 3.95Å; P45-T161 HydrophobicContact CG-CG2 4.3Å; Y136-T161 HydrophobicContact CE2-CG2 4.42Å; Y136-T161 WeakPolarHBondContact OH-CB 3.2Å; Y136-T161 PolarHBondContact OH-OG1 3.05Å; L138-T161 HydrophobicContact CD2-CG2 4.27Å; H157-T161 PolarHBondContact O-N 3.48Å; H157-T161 PolarHBondContact O-OG1 2.97Å; G158-T161 PolarHBondContact O-N 2.84Å; T161-S163 VanDerWaalsContact C-N 3.3Å; T161-S163 PolarHBondContact O-N 3.47Å; T161-Q164 WeakPolarHBondContact O-CB 3.35Å; T161-Q164 PolarHBondContact O-N 2.92Å; T161-L165 WeakPolarHBondContact O-CG 3.42Å; T161-L165 PolarHBondContact O-N 3.23Å; T161-I181 HydrophobicContact CG2-CD1 3.69Å; T161-K217 VanDerWaalsContact OG1-CE 3.31Å; T161-K217 WeakPolarHBondContact OG1-CE 3.18Å; T161-K217 PolarHBondContact OG1-NZ 3.42Å
162	F	98.8	Very high	95.6	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-57.6	-43.6	174.9	-179.5	-91.5	0	0	0	111.7	L57 F62 I90 L110 L113 L138 V140 A145 G158 L159 E160 Q164 L165 V166 I176	L57-F162 HydrophobicContact CD2-CE1 4.39Å; L57-F162 HydrophobicContact CD2-CZ 4.14Å; F62-F162 HydrophobicContact CE1-CE1 4.31Å; F62-F162 HydrophobicContact CE2-CE1 4.4Å; F62-F162 AromaticContact CE2-CZ 3.98Å; F62-F162 HydrophobicContact CE2-CZ 3.98Å; F62-F162 AromaticContact CZ-CE1 3.63Å; F62-F162 HydrophobicContact CZ-CE1 3.63Å; F62-F162 AromaticContact CZ-CZ 3.64Å; F62-F162 HydrophobicContact CZ-CZ 3.64Å; I90-F162 HydrophobicContact CD1-CD1 3.95Å; I90-F162 HydrophobicContact CD1-CE1 3.85Å; L110-F162 HydrophobicContact CD2-CE2 4.12Å; L110-F162 HydrophobicContact CD2-CZ 3.94Å; L113-F162 HydrophobicContact CB-CZ 4.36Å; L113-F162 HydrophobicContact CD1-CD2 4.04Å; L113-F162 HydrophobicContact CD1-CE2 4.11Å; L113-F162 HydrophobicContact CD2-CB 4.28Å; L113-F162 HydrophobicContact CD2-CD1 3.76Å; L113-F162 HydrophobicContact CD2-CD2 4.02Å; L113-F162 HydrophobicContact CD2-CE1 4.05Å; L113-F162 HydrophobicContact CD2-CE2 4.29Å; L113-F162 HydrophobicContact CD2-CG 3.74Å; L113-F162 HydrophobicContact CD2-CZ 4.31Å; L138-F162 HydrophobicContact CD1-CD2 4.09Å; L138-F162 HydrophobicContact CD2-CB 3.98Å; L138-F162 HydrophobicContact CD2-CD2 4.28Å; V140-F162 HydrophobicContact CG2-CD2 4.17Å; V140-F162 HydrophobicContact CG2-CE2 4.2Å; A145-F162 HydrophobicContact CB-CE2 4.06Å; G158-F162 WeakPolarHBondContact O-CB 3.41Å; G158-F162 PolarHBondContact O-N 3.02Å; L159-F162 PolarHBondContact O-N 2.04Å; E160-F162 VanDerWaalsContact C-N 3.31Å; E160-F162 PolarHBondContact O-N 3.39Å; F162-Q164 PolarHBondContact O-N 3.47Å; F162-L165 PolarHBondContact O-N 2.7Å; F162-V166 HydrophobicContact CE1-CG2 4.31Å; F162-I176 HydrophobicContact CD2-CD1 4.13Å; F162-I176 HydrophobicContact CE2-CD1 3.77Å; F162-I176 HydrophobicContact CZ-CD1 4.18Å
163	S	98.4	Very high	95.2	Very high	7 Å²	7	36 Å²	36	5%	0.049	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-26.7	177.7	81.8	0	0	0	0	113.4	L159 E160 T161 R529	L159-S163 PolarHBondContact O-N 3.1Å; L159-S163 VanDerWaalsContact O-N 3.07Å; E160-S163 WeakPolarHBondContact O-CA 3.24Å; E160-S163 WeakPolarHBondContact O-CB 3.49Å; E160-S163 PolarHBondContact O-N 2.93Å; E160-S163 PolarHBondContact O-OG 3.12Å; T161-S163 VanDerWaalsContact C-N 3.3Å; T161-S163 PolarHBondContact O-N 3.47Å; S163-R529 PolarHBondContact OG-NH2 2.92Å
164	Q	98.3	Very high	95	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-78.6	-26.1	178.4	-51.7	-162.9	-14.1	0	0	113	S40 L41 W42 E160 T161 F162 V166 R525	S40-Q164 PolarHBondContact OG-O 3.43Å; L41-Q164 HydrophobicContact CD2-CB 3.97Å; W42-Q164 PolarHBondContact O-NE2 3.2Å; W42-Q164 PolarHBondContact O-OE1 3.44Å; W42-Q164 VanDerWaalsContact O-OE1 3.14Å; E160-Q164 HydrophobicContact CG-CG 4.39Å; E160-Q164 VanDerWaalsContact O-CG 3.23Å; E160-Q164 WeakPolarHBondContact O-CG 3.35Å; E160-Q164 PolarHBondContact O-N 3.48Å; E160-Q164 VanDerWaalsContact O-N 3.14Å; E160-Q164 PolarHBondContact OE1-NE2 2.93Å; T161-Q164 WeakPolarHBondContact O-CB 3.35Å; T161-Q164 PolarHBondContact O-N 2.92Å; F162-Q164 PolarHBondContact O-N 3.47Å; Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-R525 PolarHBondContact O-NH2 2.93Å
165	L	97.9	Very high	94.9	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.089	19%	0.185	C	C	.	.	H	α-helix	trans	-75.5	-22	177	-68.1	173.1	0	0	0	112.6	L41 L138 V140 T161 F162 I176 T179 I181	L41-L165 HydrophobicContact CD1-CD2 4.05Å; L41-L165 HydrophobicContact CD2-CD2 3.86Å; L41-L165 HydrophobicContact CD2-CG 4.18Å; L41-L165 HydrophobicContact CG-CD2 4.15Å; L138-L165 HydrophobicContact CD2-CD1 3.85Å; V140-L165 HydrophobicContact CG2-CD1 4.21Å; T161-L165 WeakPolarHBondContact O-CG 3.42Å; T161-L165 PolarHBondContact O-N 3.23Å; F162-L165 PolarHBondContact O-N 2.7Å; L165-I176 HydrophobicContact CB-CD1 3.65Å; L165-I176 HydrophobicContact CB-CG1 3.81Å; L165-I176 HydrophobicContact CD1-CD1 4.35Å; L165-T179 HydrophobicContact CD1-CG2 4.03Å; L165-T179 HydrophobicContact CD2-CG2 4.32Å; L165-I181 HydrophobicContact CD1-CD1 4.02Å; L165-I181 HydrophobicContact CD2-CD1 4.45Å
166	V	96.6	Very high	94.8	Very high	19 Å²	19	37.9 Å²	37.9	12%	0.115	19%	0.185	C	C	.	.			trans	-77.6	127.1	177	-175.7	0	0	0	0	109.7	L57 I90 F162 Q164 K174 T175 I176	L57-V166 HydrophobicContact CD1-CG1 4.35Å; L57-V166 HydrophobicContact CD1-CG2 4.41Å; L57-V166 HydrophobicContact CD2-CG2 4.07Å; I90-V166 HydrophobicContact CG2-CB 4.42Å; I90-V166 HydrophobicContact CG2-CG1 4Å; I90-V166 HydrophobicContact CG2-CG2 4.31Å; F162-V166 HydrophobicContact CE1-CG2 4.31Å; Q164-V166 VanDerWaalsContact C-N 3.32Å; V166-K174 HydrophobicContact CG1-CB 4.08Å; V166-K174 HydrophobicContact CG1-CD 4.04Å; V166-T175 WeakPolarHBondContact CA-O 3.39Å; V166-I176 HydrophobicContact CG2-CD1 4.12Å
167	Y	93.6	Very high	94.6	Very high	100 Å²	100	39.2 Å²	39.2	39%	0.392	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	167.4	175.4	65.2	-86.8	0	0	0	110.9	K174 T175 N177	Y167-K174 WeakPolarHBondContact O-CA 3.18Å; Y167-T175 WeakPolarHBondContact CD1-O 3.47Å; Y167-T175 HydrophobicContact CE1-CG2 4.09Å; Y167-T175 HydrophobicContact CE2-CG2 4.08Å; Y167-T175 PolarHBondContact N-O 3.01Å; Y167-T175 PolarHBondContact O-N 3.14Å; Y167-T175 VanDerWaalsContact OH-CG2 3.28Å; Y167-T175 WeakPolarHBondContact OH-CG2 3.09Å; Y167-N177 WeakPolarHBondContact CE1-OD1 3.22Å; Y167-N177 PolarHBondContact OH-OD1 2.77Å; Y167-N177 VanDerWaalsContact OH-OD1 3.08Å
168	E	91.7	Very high	94.6	Very high	78 Å²	78	40 Å²	40	36%	0.364	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.1	170.8	-69.4	-172.2	177.5	0	0	109.9	K174	E168-K174 HydrophobicContact CG-CD 3.86Å; E168-K174 WeakPolarHBondContact OE1-CE 3.33Å; E168-K174 IonicContact OE1-NZ 4Å; E168-K174 PolarHBondContact OE1-NZ 3.18Å
169	D	88.2	Confident	94.5	Very high	46 Å²	46	40.1 Å²	40.1	25%	0.246	20%	0.199	C	C	.	.			trans	-75.3	178.4	170.2	74.9	5.7	0	0	0	111.8	Y171 G172 T173	D169-Y171 PolarHBondContact O-N 2.89Å; D169-Y171 WeakPolarHBondContact OD1-CA 3.3Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.36Å; D169-Y171 PolarHBondContact OD1-N 3.42Å; D169-G172 PolarHBondContact O-N 3.43Å; D169-G172 PolarHBondContact OD1-N 3.13Å; D169-G172 VanDerWaalsContact OD1-N 3.13Å; D169-T173 PolarHBondContact N-O 2.86Å; D169-T173 WeakPolarHBondContact OD1-CB 3.39Å; D169-T173 PolarHBondContact OD1-N 3.19Å; D169-T173 PolarHBondContact OD1-OG1 3.41Å; D169-T173 WeakPolarHBondContact OD2-CB 3.46Å
170	E	84.9	Confident	94.5	Very high	183 Å²	183	43.3 Å²	43.3	86%	0.855	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.2	-179.7	-61.5	-176.2	171.5	0	0	114.1
171	Y	86.7	Confident	94.5	Very high	196 Å²	196	43.4 Å²	43.4	77%	0.769	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	4.4	179.7	-52.7	-67.8	0	0	0	112.8	D169 T173	D169-Y171 PolarHBondContact O-N 2.89Å; D169-Y171 WeakPolarHBondContact OD1-CA 3.3Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.36Å; D169-Y171 PolarHBondContact OD1-N 3.42Å; Y171-T173 VanDerWaalsContact C-N 3.33Å
172	G	85.2	Confident	94.5	Very high	42 Å²	42	45.5 Å²	45.5	43%	0.433	23%	0.234	S	C	.	.	S	Bend	trans	77.1	16.4	-177	0	0	0	0	0	113.8	D169	D169-G172 PolarHBondContact O-N 3.43Å; D169-G172 PolarHBondContact OD1-N 3.13Å; D169-G172 VanDerWaalsContact OD1-N 3.13Å
173	T	89.8	Confident	94.5	Very high	48 Å²	48	45.5 Å²	45.5	29%	0.294	23%	0.234	S	C	.	.			trans	-81.6	127.8	176	-49.5	0	0	0	0	109.8	K56 D169 Y171 T175	K56-T173 HydrophobicContact CD-CG2 4.42Å; K56-T173 HydrophobicContact CG-CG2 4.47Å; D169-T173 PolarHBondContact N-O 2.86Å; D169-T173 WeakPolarHBondContact OD1-CB 3.39Å; D169-T173 PolarHBondContact OD1-N 3.19Å; D169-T173 PolarHBondContact OD1-OG1 3.41Å; D169-T173 WeakPolarHBondContact OD2-CB 3.46Å; Y171-T173 VanDerWaalsContact C-N 3.33Å; T173-T175 PolarHBondContact O-N 3.37Å; T173-T175 PolarHBondContact O-OG1 3.47Å; T173-T175 VanDerWaalsContact O-OG1 3.07Å
174	K	94.4	Very high	94.5	Very high	37 Å²	37	49.6 Å²	49.6	16%	0.161	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	118.2	173.3	-63.3	-70.1	173.9	-178.4	0	109.6	L57 I90 F91 V166 Y167 E168	L57-K174 HydrophobicContact CB-CB 4.26Å; L57-K174 PolarHBondContact N-O 2.69Å; I90-K174 WeakPolarHBondContact O-CE 3.38Å; I90-K174 PolarHBondContact O-NZ 3.16Å; F91-K174 HydrophobicContact CD1-CG 4.19Å; F91-K174 HydrophobicContact CE1-CB 4.32Å; F91-K174 HydrophobicContact CE1-CG 4.16Å; V166-K174 HydrophobicContact CG1-CB 4.08Å; V166-K174 HydrophobicContact CG1-CD 4.04Å; Y167-K174 WeakPolarHBondContact O-CA 3.18Å; E168-K174 HydrophobicContact CG-CD 3.86Å; E168-K174 WeakPolarHBondContact OE1-CE 3.33Å; E168-K174 IonicContact OE1-NZ 4Å; E168-K174 PolarHBondContact OE1-NZ 3.18Å
175	T	95.6	Very high	94.6	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149	-172.3	-55.3	0	0	0	0	109.8	L55 V166 Y167 T173	L55-T175 CarbonylContact O-C 3.58Å; L55-T175 WeakPolarHBondContact O-CA 3Å; L55-T175 WeakPolarHBondContact O-CG2 3.37Å; V166-T175 WeakPolarHBondContact CA-O 3.39Å; Y167-T175 WeakPolarHBondContact CD1-O 3.47Å; Y167-T175 HydrophobicContact CE1-CG2 4.09Å; Y167-T175 HydrophobicContact CE2-CG2 4.08Å; Y167-T175 PolarHBondContact N-O 3.01Å; Y167-T175 PolarHBondContact O-N 3.14Å; Y167-T175 VanDerWaalsContact OH-CG2 3.28Å; Y167-T175 WeakPolarHBondContact OH-CG2 3.09Å; T173-T175 PolarHBondContact O-N 3.37Å; T173-T175 PolarHBondContact O-OG1 3.47Å; T173-T175 VanDerWaalsContact O-OG1 3.07Å
176	I	96.6	Very high	94.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.7	175.4	-169	168.4	0	0	0	109.5	L55 L57 L110 V140 F162 L165 V166	L55-I176 HydrophobicContact CB-CG2 3.95Å; L55-I176 PolarHBondContact N-O 3.16Å; L55-I176 PolarHBondContact O-N 3.43Å; L57-I176 HydrophobicContact CD1-CB 3.81Å; L57-I176 HydrophobicContact CD1-CG2 3.48Å; L57-I176 VanDerWaalsContact CD1-CG2 3.48Å; L57-I176 HydrophobicContact CG-CG2 4.41Å; L110-I176 HydrophobicContact CD2-CG2 3.84Å; V140-I176 HydrophobicContact CG1-CD1 3.81Å; V140-I176 HydrophobicContact CG1-CG1 4.05Å; V140-I176 HydrophobicContact CG1-CG2 4Å; V140-I176 HydrophobicContact CG2-CD1 4.01Å; F162-I176 HydrophobicContact CD2-CD1 4.13Å; F162-I176 HydrophobicContact CE2-CD1 3.77Å; F162-I176 HydrophobicContact CZ-CD1 4.18Å; L165-I176 HydrophobicContact CB-CD1 3.65Å; L165-I176 HydrophobicContact CB-CG1 3.81Å; L165-I176 HydrophobicContact CD1-CD1 4.35Å; V166-I176 HydrophobicContact CG2-CD1 4.12Å
177	N	96.6	Very high	94.7	Very high	33 Å²	33	51.8 Å²	51.8	18%	0.176	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	145.5	174.6	-75.8	34.7	0	0	0	110.9	I50 S51 V53 Y167 T179	I50-N177 HydrophobicContact CG2-CB 3.7Å; S51-N177 WeakPolarHBondContact O-CB 3.46Å; S51-N177 PolarHBondContact O-ND2 3.4Å; V53-N177 CarbonylContact O-C 3.44Å; V53-N177 WeakPolarHBondContact O-CA 3.27Å; Y167-N177 WeakPolarHBondContact CE1-OD1 3.22Å; Y167-N177 PolarHBondContact OH-OD1 2.77Å; Y167-N177 VanDerWaalsContact OH-OD1 3.08Å; N177-T179 PolarHBondContact O-N 3.3Å; N177-T179 PolarHBondContact O-OG1 3.47Å
178	S	97.3	Very high	94.9	Very high	23 Å²	23	49 Å²	49	16%	0.161	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	126.2	169.4	179.2	0	0	0	0	109.2	S51 V53 V140	S51-S178 WeakPolarHBondContact CB-O 3.03Å; S51-S178 PolarHBondContact N-O 3.3Å; V53-S178 PolarHBondContact O-N 3.49Å; V140-S178 VanDerWaalsContact O-CA 3.22Å; V140-S178 WeakPolarHBondContact O-CA 3.38Å; V140-S178 WeakPolarHBondContact O-CB 3.45Å; V140-S178 PolarHBondContact O-OG 2.93Å
179	T	98.1	Very high	95.3	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	138.2	-164	-62	0	0	0	0	110.1	Q49 I50 T139 V140 L165 N177 I181	Q49-T179 CarbonylContact O-C 3.57Å; Q49-T179 VanDerWaalsContact O-CA 3.28Å; Q49-T179 WeakPolarHBondContact O-CA 3.32Å; I50-T179 HydrophobicContact CG1-CG2 3.84Å; T139-T179 CarbonylContact C-O 3.55Å; T139-T179 WeakPolarHBondContact CA-O 3.28Å; V140-T179 PolarHBondContact N-O 2.83Å; V140-T179 PolarHBondContact O-N 3.07Å; L165-T179 HydrophobicContact CD1-CG2 4.03Å; L165-T179 HydrophobicContact CD2-CG2 4.32Å; N177-T179 PolarHBondContact O-N 3.3Å; N177-T179 PolarHBondContact O-OG1 3.47Å; T179-I181 HydrophobicContact CG2-CD1 3.69Å; T179-I181 HydrophobicContact CG2-CG1 3.72Å
180	V	98.6	Very high	95.8	Very high	69 Å²	69	43.3 Å²	43.3	42%	0.418	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.7	168.6	-177.6	0	0	0	0	108.5	Q49 L138 T139	Q49-V180 HydrophobicContact CB-CB 4.46Å; Q49-V180 PolarHBondContact N-O 3.33Å; Q49-V180 PolarHBondContact O-N 3.24Å; L138-V180 CarbonylContact O-C 3.18Å; L138-V180 WeakPolarHBondContact O-CA 3.43Å; T139-V180 HydrophobicContact CG2-CG2 4.41Å
181	I	98.8	Very high	96.4	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.1	178.8	-71.8	166.6	0	0	0	109.4	P45 N47 V48 Y136 E137 L138 T161 L165 T179 D183	P45-I181 HydrophobicContact CB-CG2 3.75Å; P45-I181 HydrophobicContact CG-CD1 4.33Å; P45-I181 HydrophobicContact CG-CG2 4.08Å; N47-I181 WeakPolarHBondContact O-CA 3.16Å; V48-I181 HydrophobicContact CB-CG1 4.39Å; V48-I181 HydrophobicContact CG1-CD1 4.44Å; V48-I181 HydrophobicContact CG1-CG1 4.1Å; V48-I181 HydrophobicContact CG2-CG1 4.19Å; Y136-I181 HydrophobicContact CE2-CG2 4.06Å; E137-I181 CarbonylContact C-O 3.1Å; E137-I181 WeakPolarHBondContact CA-O 3.46Å; L138-I181 HydrophobicContact CB-CB 4.26Å; L138-I181 PolarHBondContact N-O 3.19Å; L138-I181 PolarHBondContact O-N 3.31Å; T161-I181 HydrophobicContact CG2-CD1 3.69Å; L165-I181 HydrophobicContact CD1-CD1 4.02Å; L165-I181 HydrophobicContact CD2-CD1 4.45Å; T179-I181 HydrophobicContact CG2-CD1 3.69Å; T179-I181 HydrophobicContact CG2-CG1 3.72Å; I181-D183 HydrophobicContact CG2-CB 3.92Å
182	S	98.8	Very high	97	Very high	44 Å²	44	25.3 Å²	25.3	31%	0.308	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.6	164.4	175.5	0	0	0	0	107.2	N47	N47-S182 PolarHBondContact N-O 3.36Å; N47-S182 PolarHBondContact O-N 2.98Å; N47-S182 VanDerWaalsContact O-N 3.15Å
183	D	98.9	Very high	97.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148.9	-166.6	-161.5	20.2	0	0	0	112.5	P45 Q46 S135 Y136 I181 W504	P45-D183 WeakPolarHBondContact CA-OD1 3.35Å; P45-D183 HydrophobicContact CB-CB 3.9Å; P45-D183 VanDerWaalsContact CB-CG 3.43Å; P45-D183 WeakPolarHBondContact CB-OD2 3.07Å; Q46-D183 PolarHBondContact N-OD1 3.25Å; S135-D183 VanDerWaalsContact CA-O 3.31Å; S135-D183 WeakPolarHBondContact CA-O 3.23Å; Y136-D183 HydrophobicContact CD1-CB 4.25Å; Y136-D183 HydrophobicContact CE1-CB 3.6Å; Y136-D183 WeakPolarHBondContact CE1-OD2 3.33Å; Y136-D183 HydrophobicContact CE2-CB 4.02Å; Y136-D183 VanDerWaalsContact CZ-CB 3.44Å; Y136-D183 PolarHBondContact N-O 3.44Å; Y136-D183 PolarHBondContact O-N 2.99Å; Y136-D183 WeakPolarHBondContact OH-CB 3.33Å; Y136-D183 PolarHBondContact OH-OD2 3.09Å; I181-D183 HydrophobicContact CG2-CB 3.92Å; D183-W504 VanDerWaalsContact CG-NE1 3.32Å; D183-W504 PolarHBondContact OD1-NE1 3.26Å; D183-W504 VanDerWaalsContact OD2-CZ2 3.32Å; D183-W504 WeakPolarHBondContact OD2-CZ2 3.05Å; D183-W504 PolarHBondContact OD2-NE1 2.97Å
184	F	98.8	Very high	98.1	Very high	93 Å²	93	21 Å²	21	41%	0.408	11%	0.113	S	C	.	.			trans	-164.1	152	177.6	52.8	-91.9	0	0	0	108.8	Q46	Q46-F184 HydrophobicContact CB-CD1 4.41Å; Q46-F184 HydrophobicContact CB-CE1 4.05Å; Q46-F184 HydrophobicContact CB-CZ 4.25Å; Q46-F184 HydrophobicContact CG-CD1 3.9Å; Q46-F184 HydrophobicContact CG-CD2 3.98Å; Q46-F184 HydrophobicContact CG-CE1 3.81Å; Q46-F184 HydrophobicContact CG-CE2 3.89Å; Q46-F184 HydrophobicContact CG-CG 3.98Å; Q46-F184 HydrophobicContact CG-CZ 3.8Å; Q46-F184 WeakPolarHBondContact CG-O 3.1Å; Q46-F184 PolarHBondContact NE2-O 2.83Å
185	P	98.8	Very high	98.3	Very high	24 Å²	24	19.4 Å²	19.4	16%	0.156	11%	0.106	C	C	.	.			trans	-71.1	142.9	178.2	29.5	-35.3	0	0	0	111.4	E134 F187 R190 W504	E134-P185 HydrophobicContact CB-CG 3.88Å; P185-F187 VanDerWaalsContact C-N 3.35Å; P185-R190 VanDerWaalsContact CB-NH1 3.27Å; P185-W504 HydrophobicContact CB-CD2 4.19Å; P185-W504 HydrophobicContact CB-CE3 3.73Å; P185-W504 HydrophobicContact CB-CH2 4.39Å; P185-W504 HydrophobicContact CB-CZ3 3.85Å; P185-W504 HydrophobicContact CG-CZ3 4.25Å
186	R	98.6	Very high	98.5	Very high	51 Å²	51	19.1 Å²	19.1	19%	0.192	11%	0.105	C	C	.	.	S	Bend	trans	-66.2	-37.8	169.5	-176.6	179.3	177.6	-162.9	-1.9	112.1	E456 W504 S505	R186-E456 IonicContact CZ-OE1 3.08Å; R186-E456 IonicContact CZ-OE2 3.6Å; R186-E456 IonicContact NH1-OE1 3.87Å; R186-E456 IonicContact NH1-OE2 3.74Å; R186-E456 PolarHBondContact NH1-OE2 2.78Å; R186-E456 IonicContact NH2-OE1 3.1Å; R186-E456 PolarHBondContact NH2-OE1 3.33Å; R186-E456 IonicContact NH2-OE2 2.79Å; R186-E456 PolarHBondContact NH2-OE2 3.36Å; R186-W504 WeakPolarHBondContact CB-O 3.29Å; R186-W504 PolarHBondContact N-O 2.87Å; R186-S505 WeakPolarHBondContact CB-O 3.38Å; R186-S505 VanDerWaalsContact CD-O 3.3Å; R186-S505 WeakPolarHBondContact CD-O 3.24Å
187	F	98.8	Very high	98.6	Very high	9 Å²	9	19.1 Å²	19.1	4%	0.039	11%	0.105	C	C	.	.			trans	-127.2	134.6	-179.8	-64.2	-78.8	0	0	0	111.6	P185 R190 P457 L458 V471 I472 L503	P185-F187 VanDerWaalsContact C-N 3.35Å; F187-R190 WeakPolarHBondContact O-CD 3.41Å; F187-R190 WeakPolarHBondContact O-CG 3.29Å; F187-R190 PolarHBondContact O-NH1 2.71Å; F187-P457 HydrophobicContact CE2-CB 4.49Å; F187-P457 HydrophobicContact CE2-CG 4.28Å; F187-P457 HydrophobicContact CZ-CB 4.12Å; F187-P457 HydrophobicContact CZ-CG 4.39Å; F187-L458 HydrophobicContact CE1-CD1 4.36Å; F187-L458 HydrophobicContact CE1-CD2 4.04Å; F187-L458 HydrophobicContact CE1-CG 4.24Å; F187-L458 HydrophobicContact CZ-CD1 4.16Å; F187-L458 HydrophobicContact CZ-CD2 4.2Å; F187-L458 HydrophobicContact CZ-CG 3.94Å; F187-V471 HydrophobicContact CE1-CG1 4.39Å; F187-I472 WeakPolarHBondContact CB-O 3.39Å; F187-L503 HydrophobicContact CD2-CD2 3.92Å; F187-L503 HydrophobicContact CE2-CD2 4.46Å; F187-L503 HydrophobicContact CG-CD2 4.38Å; F187-L503 PolarHBondContact N-O 3.34Å; F187-L503 VanDerWaalsContact N-O 3.15Å
188	P	98.5	Very high	98.7	Very high	43 Å²	43	18.7 Å²	18.7	28%	0.279	10%	0.101	S	C	.	.	S	Bend	trans	-74.8	-21.2	-179.2	28.5	-36.2	0	0	0	114.6	V130 N219 I472	V130-P188 HydrophobicContact CG2-CB 4.13Å; V130-P188 HydrophobicContact CG2-CG 4.23Å; V130-P188 VanDerWaalsContact O-CB 3.28Å; V130-P188 WeakPolarHBondContact O-CB 3.49Å; P188-N219 PolarHBondContact O-ND2 3.36Å; P188-N219 PolarHBondContact O-OD1 2.02Å; P188-I472 WeakPolarHBondContact CD-O 3.46Å; P188-I472 HydrophobicContact CG-CB 4.18Å
189	H	98.8	Very high	98.7	Very high	3 Å²	3	21 Å²	21	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	106.4	179.7	-168.7	105.2	0	0	0	111	R272 I433 I472 G473 G474 E475	H189-R272 PolarHBondContact ND1-NH1 2.71Å; H189-I433 VanDerWaalsContact CE1-CD1 3.48Å; H189-I433 WeakPolarHBondContact CE1-CD1 3.18Å; H189-I472 HydrophobicContact CB-CB 4.42Å; H189-I472 HydrophobicContact CB-CD1 3.97Å; H189-I472 HydrophobicContact CB-CG1 4.08Å; H189-I472 WeakPolarHBondContact CB-O 3.23Å; H189-I472 PolarHBondContact N-O 2.85Å; H189-G473 CarbonylContact O-C 3.45Å; H189-G473 VanDerWaalsContact O-CA 3.32Å; H189-G473 WeakPolarHBondContact O-CA 3.43Å; H189-G474 PolarHBondContact O-N 2.9Å; H189-E475 IonicContact CD2-OE1 3.21Å; H189-E475 IonicContact CE1-OE1 2.87Å; H189-E475 IonicContact NE2-OE1 2.77Å; H189-E475 PolarHBondContact NE2-OE1 2.97Å
190	R	98.9	Very high	98.8	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	98.8	-177.2	-49.6	-177.9	-63	-70.3	-5.9	108.4	E134 P185 F187 K217 F218 N219 V220 L503	E134-R190 IonicContact OE1-CZ 3.72Å; E134-R190 IonicContact OE1-NH1 2.72Å; E134-R190 PolarHBondContact OE1-NH1 3.43Å; E134-R190 IonicContact OE1-NH2 3.74Å; E134-R190 PolarHBondContact OE1-NH2 3.01Å; E134-R190 VanDerWaalsContact OE1-NH2 3.1Å; E134-R190 IonicContact OE2-CZ 3.91Å; E134-R190 IonicContact OE2-NH1 2.85Å; E134-R190 IonicContact OE2-NH2 3.28Å; E134-R190 PolarHBondContact OE2-NH2 3.18Å; P185-R190 VanDerWaalsContact CB-NH1 3.27Å; F187-R190 WeakPolarHBondContact O-CD 3.41Å; F187-R190 WeakPolarHBondContact O-CG 3.29Å; F187-R190 PolarHBondContact O-NH1 2.71Å; R190-K217 PolarHBondContact NE-O 2.85Å; R190-K217 PolarHBondContact NH2-O 2.98Å; R190-F218 HydrophobicContact CB-CD1 3.99Å; R190-F218 WeakPolarHBondContact O-CD1 3.44Å; R190-N219 PolarHBondContact N-OD1 2.8Å; R190-N219 PolarHBondContact NH1-ND2 3.01Å; R190-N219 PolarHBondContact NH2-ND2 2.87Å; R190-N219 PolarHBondContact O-N 2.99Å; R190-N219 PolarHBondContact O-OD1 3.11Å; R190-V220 PolarHBondContact O-N 3.01Å; R190-L503 HydrophobicContact CB-CB 4.36Å; R190-L503 HydrophobicContact CB-CD1 4.15Å; R190-L503 HydrophobicContact CG-CB 3.82Å; R190-L503 HydrophobicContact CG-CD1 4.32Å
191	G	98.8	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	153.8	-168.2	0	0	0	0	0	116.2	F218 V220 G474 E475 A476	G191-F218 WeakPolarHBondContact O-CE1 3.4Å; G191-V220 CarbonylContact C-O 3.58Å; G191-V220 WeakPolarHBondContact CA-O 3.47Å; G191-G474 PolarHBondContact N-O 3.46Å; G191-E475 CarbonylContact O-C 3.58Å; G191-E475 VanDerWaalsContact O-CA 3.24Å; G191-E475 WeakPolarHBondContact O-CA 3.08Å; G191-A476 PolarHBondContact O-N 2.93Å
192	I	98.9	Very high	98.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.9	158.6	-62.3	-62.1	0	0	0	107.5	L194 M213 F218 V220 H222 A476 L492 W493 A496	I192-L194 HydrophobicContact CG2-CD2 4Å; I192-L194 HydrophobicContact CG2-CG 4.23Å; I192-M213 HydrophobicContact CB-CE 4.15Å; I192-M213 HydrophobicContact CB-CG 4.47Å; I192-M213 HydrophobicContact CB-SD 4.07Å; I192-M213 HydrophobicContact CG1-CE 4.19Å; I192-M213 HydrophobicContact CG1-CG 3.88Å; I192-M213 HydrophobicContact CG1-SD 4.13Å; I192-F218 HydrophobicContact CD1-CD1 4.16Å; I192-F218 HydrophobicContact CD1-CD2 4.15Å; I192-F218 HydrophobicContact CD1-CE1 3.8Å; I192-F218 HydrophobicContact CD1-CE2 3.74Å; I192-F218 HydrophobicContact CD1-CG 4.34Å; I192-F218 HydrophobicContact CD1-CZ 3.57Å; I192-F218 HydrophobicContact CG1-CD1 4.11Å; I192-F218 HydrophobicContact CG1-CD2 4.15Å; I192-F218 HydrophobicContact CG1-CE1 4.26Å; I192-F218 HydrophobicContact CG1-CE2 4.26Å; I192-F218 HydrophobicContact CG1-CG 4.06Å; I192-F218 HydrophobicContact CG1-CZ 4.32Å; I192-V220 PolarHBondContact N-O 2.9Å; I192-H222 PolarHBondContact O-N 2.94Å; I192-A476 WeakPolarHBondContact CA-O 3.44Å; I192-A476 HydrophobicContact CD1-CB 3.71Å; I192-L492 HydrophobicContact CG2-CD2 4.1Å; I192-W493 HydrophobicContact CD1-CH2 4.38Å; I192-A496 HydrophobicContact CD1-CB 3.9Å
193	L	98.9	Very high	98.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.7	168.7	-178.4	163.3	0	0	0	109.4	H222 H224 W394 A476 C477 M478 W479	L193-H222 VanDerWaalsContact CA-O 3.28Å; L193-H222 WeakPolarHBondContact CA-O 3.31Å; L193-H222 HydrophobicContact CB-CB 4.09Å; L193-H224 HydrophobicContact CD2-CB 4.09Å; L193-H224 HydrophobicContact CG-CB 4.25Å; L193-W394 HydrophobicContact CD1-CH2 3.9Å; L193-W394 HydrophobicContact CD1-CZ2 3.82Å; L193-A476 PolarHBondContact N-O 2.78Å; L193-C477 HydrophobicContact CB-CB 4.4Å; L193-M478 WeakPolarHBondContact O-CB 3.42Å; L193-M478 PolarHBondContact O-N 2.91Å; L193-W479 HydrophobicContact CD1-CH2 4.04Å; L193-W479 HydrophobicContact CD1-CZ2 3.95Å; L193-W479 HydrophobicContact CD2-CD2 4.2Å; L193-W479 HydrophobicContact CD2-CE3 4.14Å; L193-W479 HydrophobicContact CD2-CZ3 4.3Å
194	L	98.9	Very high	98.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.9	165	-60.2	-175.7	0	0	0	110.5	I192 L201 N209 F221 H222 H224 M478 L488 L492	I192-L194 HydrophobicContact CG2-CD2 4Å; I192-L194 HydrophobicContact CG2-CG 4.23Å; L194-L201 HydrophobicContact CB-CD1 4.31Å; L194-L201 HydrophobicContact CD1-CD1 4.08Å; L194-N209 HydrophobicContact CD1-CB 4.17Å; L194-F221 HydrophobicContact CB-CE2 3.83Å; L194-F221 HydrophobicContact CB-CZ 4.42Å; L194-F221 HydrophobicContact CD1-CE2 3.78Å; L194-F221 HydrophobicContact CD1-CZ 4.33Å; L194-F221 HydrophobicContact CG-CE2 3.77Å; L194-H222 PolarHBondContact N-O 2.93Å; L194-H224 PolarHBondContact O-N 2.87Å; L194-H224 VanDerWaalsContact O-N 3.11Å; L194-M478 HydrophobicContact CD2-CB 4.07Å; L194-M478 HydrophobicContact CD2-CG 4.5Å; L194-L488 HydrophobicContact CD1-CD2 4.27Å; L194-L488 HydrophobicContact CD2-CD1 3.8Å; L194-L488 HydrophobicContact CD2-CD2 4.34Å; L194-L492 HydrophobicContact CD2-CD2 4.18Å
195	D	98.9	Very high	98.7	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.4	170	174.7	-0.9	0	0	0	110.1	S197 R198 H224 M478 W479 G480	D195-S197 WeakPolarHBondContact OD1-CA 3.45Å; D195-S197 WeakPolarHBondContact OD1-CB 3.08Å; D195-S197 PolarHBondContact OD1-N 2.81Å; D195-R198 PolarHBondContact OD1-N 3.17Å; D195-R198 VanDerWaalsContact OD2-CB 3.32Å; D195-R198 WeakPolarHBondContact OD2-CB 3.38Å; D195-R198 WeakPolarHBondContact OD2-CD 3.45Å; D195-R198 VanDerWaalsContact OD2-CG 3.26Å; D195-R198 WeakPolarHBondContact OD2-CG 3.15Å; D195-R198 IonicContact OD2-CZ 2.74Å; D195-R198 IonicContact OD2-NE 3.4Å; D195-R198 IonicContact OD2-NH1 3.74Å; D195-R198 PolarHBondContact OD2-NH1 2.91Å; D195-H224 IonicContact OD1-CD2 3.54Å; D195-M478 PolarHBondContact N-O 2.58Å; D195-W479 HydrophobicContact CB-CE3 4.11Å; D195-G480 WeakPolarHBondContact OD2-CA 3.3Å; D195-G480 PolarHBondContact OD2-N 2.83Å
196	T	98.8	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.			trans	-111.5	9.4	177.6	58.7	0	0	0	0	113.5	H199 L201 I206 W223 H224 I225 Y254	T196-H199 CarbonylContact C-O 3.59Å; T196-H199 VanDerWaalsContact CA-O 3.31Å; T196-H199 WeakPolarHBondContact CA-O 3.21Å; T196-L201 HydrophobicContact CG2-CB 3.95Å; T196-L201 HydrophobicContact CG2-CD1 3.86Å; T196-L201 HydrophobicContact CG2-CG 3.94Å; T196-I206 HydrophobicContact CG2-CD1 4.28Å; T196-W223 PolarHBondContact OG1-NE1 2.97Å; T196-H224 PolarHBondContact N-O 2.87Å; T196-H224 PolarHBondContact OG1-O 3.21Å; T196-I225 WeakPolarHBondContact OG1-CA 3.31Å; T196-Y254 VanDerWaalsContact CB-OH 3.28Å; T196-Y254 WeakPolarHBondContact CB-OH 3.09Å; T196-Y254 HydrophobicContact CG2-CE2 4.34Å; T196-Y254 WeakPolarHBondContact CG2-OH 3.23Å
197	S	98.6	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-96.5	-50.5	178.5	178.8	0	0	0	0	112.2	D195 H199 D227 S230 Y247	D195-S197 WeakPolarHBondContact OD1-CA 3.45Å; D195-S197 WeakPolarHBondContact OD1-CB 3.08Å; D195-S197 PolarHBondContact OD1-N 2.81Å; S197-H199 PolarHBondContact O-N 2.81Å; S197-D227 VanDerWaalsContact CB-CB 3.44Å; S197-D227 VanDerWaalsContact OG-CA 3.28Å; S197-D227 WeakPolarHBondContact OG-CA 3.4Å; S197-D227 WeakPolarHBondContact OG-CB 3.46Å; S197-D227 PolarHBondContact OG-N 3.48Å; S197-D227 PolarHBondContact OG-O 3.45Å; S197-S230 WeakPolarHBondContact CA-OG 3.36Å; S197-S230 PolarHBondContact O-OG 2.84Å; S197-S230 PolarHBondContact OG-N 3.25Å; S197-S230 PolarHBondContact OG-O 2.9Å; S197-Y247 VanDerWaalsContact O-CE2 3.31Å; S197-Y247 WeakPolarHBondContact O-CE2 3.4Å
198	R	98.6	Very high	98.7	Very high	25 Å²	25	23.7 Å²	23.7	9%	0.094	12%	0.122	C	C	.	.	S	Bend	trans	-63.4	-34.4	-179	-81.1	51.1	167.2	-71.1	7.8	111	D195 D227 P229 Y247 G480 E481	D195-R198 PolarHBondContact OD1-N 3.17Å; D195-R198 VanDerWaalsContact OD2-CB 3.32Å; D195-R198 WeakPolarHBondContact OD2-CB 3.38Å; D195-R198 WeakPolarHBondContact OD2-CD 3.45Å; D195-R198 VanDerWaalsContact OD2-CG 3.26Å; D195-R198 WeakPolarHBondContact OD2-CG 3.15Å; D195-R198 IonicContact OD2-CZ 2.74Å; D195-R198 IonicContact OD2-NE 3.4Å; D195-R198 IonicContact OD2-NH1 3.74Å; D195-R198 PolarHBondContact OD2-NH1 2.91Å; R198-D227 VanDerWaalsContact CZ-CG 3.47Å; R198-D227 IonicContact CZ-OD1 3.59Å; R198-D227 IonicContact CZ-OD2 3.55Å; R198-D227 VanDerWaalsContact CZ-OD2 3.24Å; R198-D227 IonicContact NE-OD1 2.76Å; R198-D227 PolarHBondContact NE-OD1 2.8Å; R198-D227 IonicContact NE-OD2 2.73Å; R198-D227 PolarHBondContact NE-OD2 3.08Å; R198-D227 VanDerWaalsContact NH2-CG 3.32Å; R198-D227 IonicContact NH2-OD1 3.44Å; R198-D227 PolarHBondContact NH2-OD1 3.33Å; R198-D227 IonicContact NH2-OD2 3.69Å; R198-D227 PolarHBondContact NH2-OD2 2.87Å; R198-P229 HydrophobicContact CG-CG 4.23Å; R198-Y247 PolarHBondContact O-OH 3.46Å; R198-G480 VanDerWaalsContact CB-C 3.43Å; R198-E481 HydrophobicContact CG-CG 4.11Å; R198-E481 IonicContact CZ-OE1 3.76Å; R198-E481 IonicContact NH1-OE1 2.71Å; R198-E481 PolarHBondContact NH1-OE1 2.82Å; R198-E481 IonicContact NH1-OE2 3.22Å; R198-E481 IonicContact NH2-OE1 3.88Å
199	H	98.8	Very high	98.7	Very high	70 Å²	70	21.7 Å²	21.7	32%	0.324	11%	0.109	S	C	.	.	S	Bend	trans	-140.2	143	160.6	-68.6	89.8	0	0	0	110.1	T196 S197 G480 E481 V483 D484	T196-H199 CarbonylContact C-O 3.59Å; T196-H199 VanDerWaalsContact CA-O 3.31Å; T196-H199 WeakPolarHBondContact CA-O 3.21Å; S197-H199 PolarHBondContact O-N 2.81Å; H199-G480 PolarHBondContact ND1-O 3.17Å; H199-E481 PolarHBondContact CE1-O 3.07Å; H199-V483 WeakPolarHBondContact CB-O 3.02Å; H199-D484 HydrophobicContact CB-CB 3.79Å
200	F	98.8	Very high	98.7	Very high	32 Å²	32	21.6 Å²	21.6	14%	0.14	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-71.6	131.1	175.7	178.2	-101	0	0	0	110.9	P232 H252 Y254	F200-P232 HydrophobicContact CD2-CB 4.04Å; F200-P232 HydrophobicContact CE2-CB 4.36Å; F200-H252 HydrophobicContact CB-CB 4.13Å; F200-H252 VanDerWaalsContact CB-CD2 3.5Å; F200-H252 WeakPolarHBondContact CB-CD2 3.31Å; F200-H252 HydrophobicContact CD1-CB 4.24Å; F200-H252 AromaticContact CD1-CD2 3.8Å; F200-H252 HydrophobicContact CD2-CB 4.01Å; F200-H252 VanDerWaalsContact CE2-C 3.4Å; F200-H252 HydrophobicContact CE2-CB 4.5Å; F200-H252 HydrophobicContact CG-CB 3.87Å; F200-H252 AromaticContact CG-CD2 3.79Å; F200-Y254 HydrophobicContact CD2-CE1 4.22Å; F200-Y254 HydrophobicContact CD2-CE2 4.1Å; F200-Y254 AromaticContact CD2-CZ 3.75Å; F200-Y254 AromaticContact CE2-CD1 3.9Å; F200-Y254 HydrophobicContact CE2-CD1 3.9Å; F200-Y254 HydrophobicContact CE2-CD2 4.33Å; F200-Y254 AromaticContact CE2-CE1 3.41Å; F200-Y254 HydrophobicContact CE2-CE1 3.41Å; F200-Y254 VanDerWaalsContact CE2-CE1 3.41Å; F200-Y254 AromaticContact CE2-CE2 3.9Å; F200-Y254 HydrophobicContact CE2-CE2 3.9Å; F200-Y254 HydrophobicContact CE2-CG 4.32Å; F200-Y254 AromaticContact CE2-CZ 3.4Å; F200-Y254 VanDerWaalsContact CE2-CZ 3.4Å; F200-Y254 HydrophobicContact CZ-CD1 4.28Å; F200-Y254 AromaticContact CZ-CE1 3.77Å; F200-Y254 HydrophobicContact CZ-CE1 3.77Å
201	L	98.8	Very high	98.7	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-101.1	122.8	171.6	-61.4	-175	0	0	0	110.6	L194 T196 V203 I206 Y254 L488	L194-L201 HydrophobicContact CB-CD1 4.31Å; L194-L201 HydrophobicContact CD1-CD1 4.08Å; T196-L201 HydrophobicContact CG2-CB 3.95Å; T196-L201 HydrophobicContact CG2-CD1 3.86Å; T196-L201 HydrophobicContact CG2-CG 3.94Å; L201-V203 PolarHBondContact O-N 2.89Å; L201-I206 HydrophobicContact CB-CD1 4.4Å; L201-I206 HydrophobicContact CB-CG1 4.1Å; L201-Y254 PolarHBondContact N-OH 3.16Å; L201-Y254 VanDerWaalsContact N-OH 3.15Å; L201-Y254 VanDerWaalsContact O-CE1 3.26Å; L201-Y254 WeakPolarHBondContact O-CE1 3.06Å; L201-Y254 PolarHBondContact O-OH 2.77Å; L201-L488 HydrophobicContact CD1-CD2 3.73Å; L201-L488 HydrophobicContact CD2-CD2 4.33Å
202	P	98.6	Very high	98.7	Very high	53 Å²	53	22.9 Å²	22.9	34%	0.344	12%	0.115	S	C	.	.	P	Polyproline II helix	trans	-56.6	142.6	171.9	-23.5	33.4	0	0	0	111.2	K204 V205 I206 A485	P202-K204 PolarHBondContact O-N 3.22Å; P202-K204 VanDerWaalsContact O-N 3.07Å; P202-V205 HydrophobicContact CB-CG2 4.28Å; P202-V205 HydrophobicContact CG-CG2 4.29Å; P202-V205 WeakPolarHBondContact O-CA 3.37Å; P202-V205 WeakPolarHBondContact O-CB 3.43Å; P202-V205 PolarHBondContact O-N 3.2Å; P202-I206 PolarHBondContact O-N 3.21Å; P202-A485 HydrophobicContact CG-CB 4.31Å
203	V	98.8	Very high	98.7	Very high	23 Å²	23	22.9 Å²	22.9	14%	0.139	12%	0.115	C	C	.	.	H	α-helix	trans	-50.6	-41.4	-179	176.3	0	0	0	0	111.9	L201 V205 I206 L207 Y254 D258 M261 V262	L201-V203 PolarHBondContact O-N 2.89Å; V203-V205 PolarHBondContact O-N 2.97Å; V203-I206 WeakPolarHBondContact O-CB 3.42Å; V203-I206 PolarHBondContact O-N 3.28Å; V203-L207 HydrophobicContact CG1-CD1 4.22Å; V203-L207 HydrophobicContact CG1-CD2 4.38Å; V203-L207 HydrophobicContact CG1-CG 4.04Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 2.82Å; V203-Y254 HydrophobicContact CG2-CD1 4.17Å; V203-Y254 HydrophobicContact CG2-CE1 4.34Å; V203-D258 HydrophobicContact CG2-CB 3.71Å; V203-M261 HydrophobicContact CG1-SD 4.19Å; V203-V262 HydrophobicContact CG1-CG2 4.15Å
204	K	98.3	Very high	98.7	Very high	143 Å²	143	23.2 Å²	23.2	62%	0.622	12%	0.118	S	C	*	.	H	α-helix	trans	-55.2	-39	176.9	-173.6	-179.4	177.9	-173.1	0	112.8	P202 L207 T208	P202-K204 PolarHBondContact O-N 3.22Å; P202-K204 VanDerWaalsContact O-N 3.07Å; K204-L207 PolarHBondContact O-N 2.75Å; K204-T208 PolarHBondContact O-N 3.41Å; K204-T208 PolarHBondContact O-OG1 3.08Å
205	V	98.4	Very high	98.7	Very high	26 Å²	26	23.4 Å²	23.4	16%	0.158	12%	0.119	C	C	.	.	H	α-helix	trans	-67.2	-42.1	178.1	176.4	0	0	0	0	110.5	P202 V203 T208 N209 A485 L488	P202-V205 HydrophobicContact CB-CG2 4.28Å; P202-V205 HydrophobicContact CG-CG2 4.29Å; P202-V205 WeakPolarHBondContact O-CA 3.37Å; P202-V205 WeakPolarHBondContact O-CB 3.43Å; P202-V205 PolarHBondContact O-N 3.2Å; V203-V205 PolarHBondContact O-N 2.97Å; V205-T208 PolarHBondContact O-N 3.31Å; V205-N209 PolarHBondContact O-N 3.16Å; V205-A485 HydrophobicContact CG2-CB 3.88Å; V205-L488 HydrophobicContact CG1-CD2 3.56Å
206	I	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-46	174.8	-57.5	173.7	0	0	0	110.4	T196 L201 P202 V203 T208 N209 L210 F221 W223 Y254 V262	T196-I206 HydrophobicContact CG2-CD1 4.28Å; L201-I206 HydrophobicContact CB-CD1 4.4Å; L201-I206 HydrophobicContact CB-CG1 4.1Å; P202-I206 PolarHBondContact O-N 3.21Å; V203-I206 WeakPolarHBondContact O-CB 3.42Å; V203-I206 PolarHBondContact O-N 3.28Å; I206-T208 PolarHBondContact O-N 3.2Å; I206-N209 WeakPolarHBondContact O-CB 3.33Å; I206-N209 PolarHBondContact O-N 2.86Å; I206-N209 VanDerWaalsContact O-N 3.13Å; I206-L210 HydrophobicContact CG2-CD1 4.43Å; I206-L210 WeakPolarHBondContact O-CG 3.09Å; I206-L210 PolarHBondContact O-N 2.88Å; I206-F221 HydrophobicContact CG2-CE1 3.76Å; I206-F221 HydrophobicContact CG2-CZ 3.76Å; I206-W223 HydrophobicContact CD1-CZ2 3.86Å; I206-Y254 HydrophobicContact CD1-CE1 3.86Å; I206-V262 HydrophobicContact CG2-CG1 3.99Å; I206-V262 HydrophobicContact CG2-CG2 4.17Å
207	L	98.8	Very high	98.7	Very high	27 Å²	27	23.3 Å²	23.3	14%	0.141	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-40.7	177.6	-59.3	-170	0	0	0	112.1	V203 K204 N209 L210 E211 M261 V262 F265	V203-L207 HydrophobicContact CG1-CD1 4.22Å; V203-L207 HydrophobicContact CG1-CD2 4.38Å; V203-L207 HydrophobicContact CG1-CG 4.04Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 2.82Å; K204-L207 PolarHBondContact O-N 2.75Å; L207-N209 VanDerWaalsContact C-N 3.31Å; L207-N209 PolarHBondContact O-N 3.48Å; L207-L210 HydrophobicContact CD2-CD1 4.2Å; L207-L210 PolarHBondContact O-N 2.86Å; L207-E211 PolarHBondContact O-N 3.45Å; L207-M261 HydrophobicContact CD1-CG 4.35Å; L207-M261 HydrophobicContact CD1-SD 3.98Å; L207-V262 HydrophobicContact CD2-CG2 4.11Å; L207-F265 HydrophobicContact CB-CD1 4.22Å; L207-F265 HydrophobicContact CB-CE1 4.02Å; L207-F265 HydrophobicContact CB-CZ 4.15Å; L207-F265 HydrophobicContact CD1-CD2 4.27Å; L207-F265 HydrophobicContact CD1-CE2 4.47Å; L207-F265 HydrophobicContact CD2-CB 3.75Å; L207-F265 HydrophobicContact CD2-CD1 3.87Å; L207-F265 HydrophobicContact CD2-CD2 4.3Å; L207-F265 HydrophobicContact CD2-CG 3.73Å; L207-F265 HydrophobicContact CG-CG 4.46Å; L207-F265 WeakPolarHBondContact O-CE1 3.44Å
208	T	98.4	Very high	98.7	Very high	45 Å²	45	23.4 Å²	23.4	28%	0.276	12%	0.118	S	C	.	.	H	α-helix	trans	-59.7	-43.7	172.7	-62.7	0	0	0	0	110.7	K204 V205 I206 L210 E211 I212 I531	K204-T208 PolarHBondContact O-N 3.41Å; K204-T208 PolarHBondContact O-OG1 3.08Å; V205-T208 PolarHBondContact O-N 3.31Å; I206-T208 PolarHBondContact O-N 3.2Å; T208-L210 PolarHBondContact O-N 3.4Å; T208-E211 VanDerWaalsContact O-CB 3.3Å; T208-E211 WeakPolarHBondContact O-CB 3.43Å; T208-E211 PolarHBondContact O-N 3.42Å; T208-I212 HydrophobicContact CG2-CD1 4.12Å; T208-I212 WeakPolarHBondContact O-CG1 3.43Å; T208-I212 PolarHBondContact O-N 2.83Å; T208-I212 VanDerWaalsContact O-N 3.12Å; T208-I531 HydrophobicContact CG2-CD1 3.76Å
209	N	98.8	Very high	98.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	12%	0.115	C	C	.	.	H	α-helix	trans	-62.2	-43.6	177	-171.6	62.3	0	0	0	112.4	L194 V205 I206 L207 E211 I212 M213 L492 W493	L194-N209 HydrophobicContact CD1-CB 4.17Å; V205-N209 PolarHBondContact O-N 3.16Å; I206-N209 WeakPolarHBondContact O-CB 3.33Å; I206-N209 PolarHBondContact O-N 2.86Å; I206-N209 VanDerWaalsContact O-N 3.13Å; L207-N209 VanDerWaalsContact C-N 3.31Å; L207-N209 PolarHBondContact O-N 3.48Å; N209-E211 PolarHBondContact O-N 3.33Å; N209-I212 PolarHBondContact O-N 3.06Å; N209-I212 VanDerWaalsContact O-N 3.08Å; N209-M213 PolarHBondContact ND2-SD 3.25Å; N209-M213 VanDerWaalsContact ND2-SD 3.38Å; N209-M213 VanDerWaalsContact O-CG 3.3Å; N209-M213 WeakPolarHBondContact O-CG 3.35Å; N209-M213 PolarHBondContact O-N 2.81Å; N209-L492 WeakPolarHBondContact OD1-CD2 3.37Å; N209-W493 PolarHBondContact OD1-NE1 2.68Å
210	L	98.9	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.7	-33.5	175.2	-70.5	172	0	0	0	112.5	I206 L207 T208 M213 A214 F221 V262 F265 A266 I271	I206-L210 HydrophobicContact CG2-CD1 4.43Å; I206-L210 WeakPolarHBondContact O-CG 3.09Å; I206-L210 PolarHBondContact O-N 2.88Å; L207-L210 HydrophobicContact CD2-CD1 4.2Å; L207-L210 PolarHBondContact O-N 2.86Å; T208-L210 PolarHBondContact O-N 3.4Å; L210-M213 HydrophobicContact CD2-SD 3.96Å; L210-A214 PolarHBondContact O-N 3.23Å; L210-F221 HydrophobicContact CD2-CB 3.77Å; L210-F221 HydrophobicContact CD2-CD1 4.13Å; L210-F221 HydrophobicContact CD2-CG 3.93Å; L210-V262 HydrophobicContact CD1-CG1 4.07Å; L210-F265 HydrophobicContact CB-CD1 3.92Å; L210-F265 HydrophobicContact CB-CE1 4.06Å; L210-F265 HydrophobicContact CD1-CD1 3.94Å; L210-A266 HydrophobicContact CD1-CB 3.96Å; L210-A266 HydrophobicContact CD2-CB 3.95Å; L210-I271 HydrophobicContact CB-CD1 4.38Å; L210-I271 HydrophobicContact CD2-CB 4.48Å; L210-I271 HydrophobicContact CD2-CD1 4.05Å; L210-I271 HydrophobicContact CD2-CG2 3.87Å; L210-I271 VanDerWaalsContact O-CD1 3.25Å; L210-I271 WeakPolarHBondContact O-CD1 3.46Å
211	E	98.4	Very high	98.7	Very high	29 Å²	29	17.5 Å²	17.5	14%	0.136	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-48.6	172.3	-163.5	75.7	-105.2	0	0	111.3	R85 Y89 L207 T208 N209 M213 A214 M215 R269	R85-E211 VanDerWaalsContact CD-OE1 3.29Å; R85-E211 WeakPolarHBondContact CD-OE1 3.37Å; R85-E211 IonicContact NE-OE1 3.98Å; Y89-E211 VanDerWaalsContact OH-CG 3.31Å; Y89-E211 WeakPolarHBondContact OH-CG 3.34Å; Y89-E211 PolarHBondContact OH-OE1 3.06Å; L207-E211 PolarHBondContact O-N 3.45Å; T208-E211 VanDerWaalsContact O-CB 3.3Å; T208-E211 WeakPolarHBondContact O-CB 3.43Å; T208-E211 PolarHBondContact O-N 3.42Å; N209-E211 PolarHBondContact O-N 3.33Å; E211-M213 VanDerWaalsContact C-N 3.32Å; E211-M213 PolarHBondContact O-N 3.31Å; E211-A214 WeakPolarHBondContact O-CB 3.41Å; E211-A214 PolarHBondContact O-N 3.33Å; E211-M215 HydrophobicContact CG-CE 3.56Å; E211-M215 WeakPolarHBondContact O-CG 3.35Å; E211-M215 PolarHBondContact O-N 3.22Å; E211-M215 VanDerWaalsContact O-N 3.13Å; E211-R269 IonicContact OE1-CZ 2.71Å; E211-R269 IonicContact OE1-NE 3Å; E211-R269 PolarHBondContact OE1-NE 3.33Å; E211-R269 IonicContact OE1-NH2 3.83Å; E211-R269 PolarHBondContact OE1-NH2 2.96Å; E211-R269 IonicContact OE2-CZ 3.18Å; E211-R269 IonicContact OE2-NE 3.91Å; E211-R269 PolarHBondContact OE2-NE 3.1Å; E211-R269 IonicContact OE2-NH2 3.44Å; E211-R269 PolarHBondContact OE2-NH2 2.79Å
212	I	98.7	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.8	-36.6	-179	-52.8	159.4	0	0	0	111	T208 N209 A214 M215 N216 T489 W493 L526 I531	T208-I212 HydrophobicContact CG2-CD1 4.12Å; T208-I212 WeakPolarHBondContact O-CG1 3.43Å; T208-I212 PolarHBondContact O-N 2.83Å; T208-I212 VanDerWaalsContact O-N 3.12Å; N209-I212 PolarHBondContact O-N 3.06Å; N209-I212 VanDerWaalsContact O-N 3.08Å; I212-A214 VanDerWaalsContact C-N 3.31Å; I212-A214 PolarHBondContact O-N 3.08Å; I212-M215 PolarHBondContact O-N 3.42Å; I212-N216 PolarHBondContact O-N 2.73Å; I212-N216 VanDerWaalsContact O-N 3.09Å; I212-N216 PolarHBondContact O-ND2 2.8Å; I212-T489 HydrophobicContact CD1-CG2 4Å; I212-W493 HydrophobicContact CB-CD2 4.26Å; I212-W493 HydrophobicContact CB-CZ2 4.02Å; I212-W493 HydrophobicContact CD1-CG 4.24Å; I212-W493 HydrophobicContact CG2-CD2 3.31Å; I212-W493 HydrophobicContact CG2-CE3 3.69Å; I212-W493 HydrophobicContact CG2-CG 3.73Å; I212-W493 HydrophobicContact CG2-CH2 4.09Å; I212-W493 HydrophobicContact CG2-CZ2 3.74Å; I212-W493 HydrophobicContact CG2-CZ3 4.06Å; I212-L526 HydrophobicContact CG2-CD1 4.34Å; I212-L526 HydrophobicContact CG2-CD2 4.17Å; I212-I531 HydrophobicContact CD1-CD1 3.96Å; I212-I531 HydrophobicContact CD1-CG1 4.32Å; I212-I531 HydrophobicContact CD1-CG2 3.43Å; I212-I531 VanDerWaalsContact CD1-CG2 3.43Å; I212-I531 HydrophobicContact CG1-CD1 3.69Å; I212-I531 HydrophobicContact CG1-CG1 3.91Å; I212-I531 HydrophobicContact CG1-CG2 3.84Å
213	M	98.9	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-55.6	-45.7	172.1	-75.9	173.1	68.5	0	0	111.4	I192 N209 L210 E211 M215 N216 K217 F218 V220 F221 I271 W493	I192-M213 HydrophobicContact CB-CE 4.15Å; I192-M213 HydrophobicContact CB-CG 4.47Å; I192-M213 HydrophobicContact CB-SD 4.07Å; I192-M213 HydrophobicContact CG1-CE 4.19Å; I192-M213 HydrophobicContact CG1-CG 3.88Å; I192-M213 HydrophobicContact CG1-SD 4.13Å; N209-M213 PolarHBondContact ND2-SD 3.25Å; N209-M213 VanDerWaalsContact ND2-SD 3.38Å; N209-M213 VanDerWaalsContact O-CG 3.3Å; N209-M213 WeakPolarHBondContact O-CG 3.35Å; N209-M213 PolarHBondContact O-N 2.81Å; L210-M213 HydrophobicContact CD2-SD 3.96Å; E211-M213 VanDerWaalsContact C-N 3.32Å; E211-M213 PolarHBondContact O-N 3.31Å; M213-M215 PolarHBondContact O-N 3.3Å; M213-N216 CarbonylContact O-C 3.46Å; M213-N216 PolarHBondContact O-N 3.16Å; M213-N216 VanDerWaalsContact O-N 3.1Å; M213-K217 PolarHBondContact O-N 3.17Å; M213-F218 HydrophobicContact CB-CB 3.91Å; M213-F218 HydrophobicContact CE-CB 4.02Å; M213-F218 HydrophobicContact CG-CB 4.15Å; M213-F218 PolarHBondContact O-N 3.29Å; M213-V220 WeakPolarHBondContact CE-O 2.97Å; M213-F221 HydrophobicContact CE-CB 3.99Å; M213-F221 HydrophobicContact SD-CB 4.43Å; M213-I271 HydrophobicContact CB-CD1 3.74Å; M213-I271 HydrophobicContact CE-CD1 4.36Å; M213-I271 HydrophobicContact CE-CG2 3.82Å; M213-W493 HydrophobicContact CG-CH2 4.41Å; M213-W493 HydrophobicContact CG-CZ2 4.12Å
214	A	98.8	Very high	98.8	Very high	7 Å²	7	13.8 Å²	13.8	6%	0.058	7%	0.069	C	C	.	.	H	α-helix	trans	-62.7	-41.3	176.8	0	0	0	0	0	112	L210 E211 I212 N216 K217 R269 I271	L210-A214 PolarHBondContact O-N 3.23Å; E211-A214 WeakPolarHBondContact O-CB 3.41Å; E211-A214 PolarHBondContact O-N 3.33Å; I212-A214 VanDerWaalsContact C-N 3.31Å; I212-A214 PolarHBondContact O-N 3.08Å; A214-N216 PolarHBondContact O-N 3.28Å; A214-K217 PolarHBondContact O-N 2.77Å; A214-K217 VanDerWaalsContact O-N 3.11Å; A214-R269 HydrophobicContact CB-CB 3.93Å; A214-R269 HydrophobicContact CB-CG 3.96Å; A214-I271 HydrophobicContact CB-CD1 4.42Å
215	M	98.7	Very high	98.8	Very high	3 Å²	3	7 Å²	7	2%	0.015	4%	0.039	C	C	.	.	H	α-helix	trans	-64.3	-20.3	175.8	-58.4	-175.7	-161.3	0	0	113.4	Y89 E211 I212 M213 L526 R529	Y89-M215 HydrophobicContact CE1-CE 4.33Å; Y89-M215 HydrophobicContact CE2-CE 4.26Å; E211-M215 HydrophobicContact CG-CE 3.56Å; E211-M215 WeakPolarHBondContact O-CG 3.35Å; E211-M215 PolarHBondContact O-N 3.22Å; E211-M215 VanDerWaalsContact O-N 3.13Å; I212-M215 PolarHBondContact O-N 3.42Å; M213-M215 PolarHBondContact O-N 3.3Å; M215-L526 HydrophobicContact CB-CD2 4.19Å; M215-L526 HydrophobicContact SD-CD2 3.56Å; M215-L526 VanDerWaalsContact SD-CD2 3.56Å; M215-R529 HydrophobicContact CE-CB 4.27Å; M215-R529 WeakPolarHBondContact SD-CD 3.46Å; M215-R529 PolarHBondContact SD-NH1 2.93Å
216	N	98.9	Very high	98.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	5.6	178	-71.7	-88.2	0	0	0	113	I212 M213 A214 F218 W493 S497 A500 H522	I212-N216 PolarHBondContact O-N 2.73Å; I212-N216 VanDerWaalsContact O-N 3.09Å; I212-N216 PolarHBondContact O-ND2 2.8Å; M213-N216 CarbonylContact O-C 3.46Å; M213-N216 PolarHBondContact O-N 3.16Å; M213-N216 VanDerWaalsContact O-N 3.1Å; A214-N216 PolarHBondContact O-N 3.28Å; N216-F218 HydrophobicContact CB-CD2 3.9Å; N216-F218 HydrophobicContact CB-CE2 4.26Å; N216-F218 PolarHBondContact O-N 3.37Å; N216-W493 HydrophobicContact CB-CH2 4.3Å; N216-W493 HydrophobicContact CB-CZ3 3.98Å; N216-W493 WeakPolarHBondContact ND2-CZ3 3.36Å; N216-S497 WeakPolarHBondContact OD1-CB 3.28Å; N216-S497 PolarHBondContact OD1-OG 2.87Å; N216-A500 HydrophobicContact CB-CB 3.94Å; N216-A500 VanDerWaalsContact O-CB 3.32Å; N216-A500 WeakPolarHBondContact O-CB 3.42Å; N216-H522 PolarHBondContact OD1-NE2 3.29Å
217	K	98.9	Very high	98.8	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.009	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	25.3	-178.9	-50.2	-169.6	174.3	80.1	0	115.5	H157 T161 R190 M213 A214 W504	H157-K217 HydrophobicContact CB-CD 4.15Å; H157-K217 WeakPolarHBondContact O-CE 3.4Å; T161-K217 VanDerWaalsContact OG1-CE 3.31Å; T161-K217 WeakPolarHBondContact OG1-CE 3.18Å; T161-K217 PolarHBondContact OG1-NZ 3.42Å; R190-K217 PolarHBondContact NE-O 2.85Å; R190-K217 PolarHBondContact NH2-O 2.98Å; M213-K217 PolarHBondContact O-N 3.17Å; A214-K217 PolarHBondContact O-N 2.77Å; A214-K217 VanDerWaalsContact O-N 3.11Å; K217-W504 HydrophobicContact CB-CD2 4.12Å; K217-W504 HydrophobicContact CB-CE3 3.5Å; K217-W504 HydrophobicContact CB-CZ3 3.75Å; K217-W504 HydrophobicContact CD-CD2 3.63Å; K217-W504 HydrophobicContact CD-CE3 3.67Å; K217-W504 HydrophobicContact CD-CG 4.42Å; K217-W504 HydrophobicContact CD-CH2 3.65Å; K217-W504 HydrophobicContact CD-CZ2 3.57Å; K217-W504 HydrophobicContact CD-CZ3 3.68Å; K217-W504 HydrophobicContact CG-CE3 4.25Å; K217-W504 HydrophobicContact CG-CZ3 4.31Å
218	F	98.9	Very high	98.8	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	4%	0.04	C	C	.	.			trans	-68.1	145.2	162.9	-78.6	-77.3	0	0	0	109.8	R190 G191 I192 M213 N216 W493 A496 V499 A500 L503	R190-F218 HydrophobicContact CB-CD1 3.99Å; R190-F218 WeakPolarHBondContact O-CD1 3.44Å; G191-F218 WeakPolarHBondContact O-CE1 3.4Å; I192-F218 HydrophobicContact CD1-CD1 4.16Å; I192-F218 HydrophobicContact CD1-CD2 4.15Å; I192-F218 HydrophobicContact CD1-CE1 3.8Å; I192-F218 HydrophobicContact CD1-CE2 3.74Å; I192-F218 HydrophobicContact CD1-CG 4.34Å; I192-F218 HydrophobicContact CD1-CZ 3.57Å; I192-F218 HydrophobicContact CG1-CD1 4.11Å; I192-F218 HydrophobicContact CG1-CD2 4.15Å; I192-F218 HydrophobicContact CG1-CE1 4.26Å; I192-F218 HydrophobicContact CG1-CE2 4.26Å; I192-F218 HydrophobicContact CG1-CG 4.06Å; I192-F218 HydrophobicContact CG1-CZ 4.32Å; M213-F218 HydrophobicContact CB-CB 3.91Å; M213-F218 HydrophobicContact CE-CB 4.02Å; M213-F218 HydrophobicContact CG-CB 4.15Å; M213-F218 PolarHBondContact O-N 3.29Å; N216-F218 HydrophobicContact CB-CD2 3.9Å; N216-F218 HydrophobicContact CB-CE2 4.26Å; N216-F218 PolarHBondContact O-N 3.37Å; F218-W493 AromaticContact CD2-CH2 3.78Å; F218-W493 HydrophobicContact CD2-CH2 3.78Å; F218-W493 HydrophobicContact CD2-CZ3 4.34Å; F218-W493 AromaticContact CE2-CH2 3.72Å; F218-W493 HydrophobicContact CE2-CH2 3.72Å; F218-W493 AromaticContact CE2-CZ3 3.97Å; F218-W493 HydrophobicContact CE2-CZ3 3.97Å; F218-A496 HydrophobicContact CE2-CB 4.35Å; F218-A496 WeakPolarHBondContact CE2-O 3.36Å; F218-A496 VanDerWaalsContact CZ-O 3.29Å; F218-A496 WeakPolarHBondContact CZ-O 3.26Å; F218-V499 HydrophobicContact CE1-CG1 4.44Å; F218-V499 HydrophobicContact CZ-CB 4.18Å; F218-V499 HydrophobicContact CZ-CG1 4.35Å; F218-A500 HydrophobicContact CD2-CB 3.84Å; F218-A500 HydrophobicContact CE1-CB 4.43Å; F218-A500 HydrophobicContact CE2-CB 3.29Å; F218-A500 HydrophobicContact CZ-CB 3.63Å; F218-L503 HydrophobicContact CE1-CD1 4.45Å
219	N	98.9	Very high	98.7	Very high	4 Å²	4	7.4 Å²	7.4	2%	0.021	4%	0.042	C	C	.	.			trans	-131.3	2.1	-174.8	71.3	-11.7	0	0	0	114.1	E134 P188 R190 I271 R272	E134-N219 PolarHBondContact OE1-ND2 3.34Å; E134-N219 PolarHBondContact OE2-ND2 2.95Å; P188-N219 PolarHBondContact O-ND2 3.36Å; P188-N219 PolarHBondContact O-OD1 2.02Å; R190-N219 PolarHBondContact N-OD1 2.8Å; R190-N219 PolarHBondContact NH1-ND2 3.01Å; R190-N219 PolarHBondContact NH2-ND2 2.87Å; R190-N219 PolarHBondContact O-N 2.99Å; R190-N219 PolarHBondContact O-OD1 3.11Å; N219-I271 CarbonylContact O-C 3.56Å; N219-I271 WeakPolarHBondContact O-CA 3.19Å; N219-R272 WeakPolarHBondContact O-CB 3.43Å; N219-R272 PolarHBondContact O-N 2.79Å
220	V	98.9	Very high	98.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123	174.3	178.2	0	0	0	0	109.8	R190 G191 I192 M213 R272 V274	R190-V220 PolarHBondContact O-N 3.01Å; G191-V220 CarbonylContact C-O 3.58Å; G191-V220 WeakPolarHBondContact CA-O 3.47Å; I192-V220 PolarHBondContact N-O 2.9Å; M213-V220 WeakPolarHBondContact CE-O 2.97Å; V220-R272 HydrophobicContact CG2-CB 4.3Å; V220-V274 HydrophobicContact CG1-CB 4.31Å; V220-V274 HydrophobicContact CG1-CG2 3.8Å
221	F	98.9	Very high	98.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	104.2	164.8	175.3	-134.6	0	0	0	107.7	L194 I206 L210 M213 W223 V262 I271 R272 V273 V274	L194-F221 HydrophobicContact CB-CE2 3.83Å; L194-F221 HydrophobicContact CB-CZ 4.42Å; L194-F221 HydrophobicContact CD1-CE2 3.78Å; L194-F221 HydrophobicContact CD1-CZ 4.33Å; L194-F221 HydrophobicContact CG-CE2 3.77Å; I206-F221 HydrophobicContact CG2-CE1 3.76Å; I206-F221 HydrophobicContact CG2-CZ 3.76Å; L210-F221 HydrophobicContact CD2-CB 3.77Å; L210-F221 HydrophobicContact CD2-CD1 4.13Å; L210-F221 HydrophobicContact CD2-CG 3.93Å; M213-F221 HydrophobicContact CE-CB 3.99Å; M213-F221 HydrophobicContact SD-CB 4.43Å; F221-W223 HydrophobicContact CD1-CB 4.24Å; F221-W223 HydrophobicContact CE1-CB 3.68Å; F221-W223 AromaticContact CE1-CD2 3.68Å; F221-W223 HydrophobicContact CE1-CD2 3.68Å; F221-W223 AromaticContact CE1-CE3 3.79Å; F221-W223 HydrophobicContact CE1-CE3 3.79Å; F221-W223 AromaticContact CE1-CG 3.66Å; F221-W223 HydrophobicContact CE1-CG 3.66Å; F221-W223 HydrophobicContact CE2-CB 4.37Å; F221-W223 HydrophobicContact CZ-CB 3.75Å; F221-W223 AromaticContact CZ-CD1 3.95Å; F221-W223 AromaticContact CZ-CD2 3.98Å; F221-W223 HydrophobicContact CZ-CD2 3.98Å; F221-W223 AromaticContact CZ-CG 3.62Å; F221-W223 HydrophobicContact CZ-CG 3.62Å; F221-W223 PolarHBondContact O-N 3.04Å; F221-V262 HydrophobicContact CD1-CG1 4.17Å; F221-V262 HydrophobicContact CE1-CG1 3.89Å; F221-I271 HydrophobicContact CB-CG2 3.85Å; F221-R272 PolarHBondContact N-O 2.83Å; F221-V273 HydrophobicContact CD1-CG1 4.05Å; F221-V273 HydrophobicContact CD1-CG2 4.22Å; F221-V273 WeakPolarHBondContact O-CA 3.2Å; F221-V274 PolarHBondContact O-N 3.35Å
222	H	98.9	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	107.1	173.2	-177.3	-179.9	0	0	0	108	I192 L193 L194 V274 E276 H338 E475	I192-H222 PolarHBondContact O-N 2.94Å; L193-H222 VanDerWaalsContact CA-O 3.28Å; L193-H222 WeakPolarHBondContact CA-O 3.31Å; L193-H222 HydrophobicContact CB-CB 4.09Å; L194-H222 PolarHBondContact N-O 2.93Å; H222-V274 WeakPolarHBondContact CA-O 3.4Å; H222-E276 IonicContact CE1-OE2 3.61Å; H222-E276 PolarHBondContact CE1-OE2 3.13Å; H222-E276 WeakPolarHBondContact NE2-CB 3.5Å; H222-E276 IonicContact NE2-OE2 2.79Å; H222-E276 PolarHBondContact NE2-OE2 2.83Å; H222-H338 AromaticContact CE1-CD2 3.37Å; H222-H338 PolarHBondContact CE1-CD2 3.5Å; H222-H338 AromaticContact CE1-CG 3.77Å; H222-H338 AromaticContact CE1-NE2 3.77Å; H222-H338 AromaticContact NE2-CD2 3.56Å; H222-H338 AromaticContact NE2-CG 3.52Å; H222-E475 WeakPolarHBondContact CB-OE2 3.3Å; H222-E475 IonicContact CE1-OE2 3.7Å; H222-E475 IonicContact CG-OE2 3.47Å; H222-E475 IonicContact ND1-OE1 2.81Å; H222-E475 IonicContact ND1-OE2 3.24Å; H222-E475 PolarHBondContact ND1-OE2 3.04Å
223	W	98.9	Very high	98.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	94.6	-175.8	-165.6	-3.6	0	0	0	110.2	T196 I206 F221 I225 Y254 V259 V262 V273 V274 E276 F332	T196-W223 PolarHBondContact OG1-NE1 2.97Å; I206-W223 HydrophobicContact CD1-CZ2 3.86Å; F221-W223 HydrophobicContact CD1-CB 4.24Å; F221-W223 HydrophobicContact CE1-CB 3.68Å; F221-W223 AromaticContact CE1-CD2 3.68Å; F221-W223 HydrophobicContact CE1-CD2 3.68Å; F221-W223 AromaticContact CE1-CE3 3.79Å; F221-W223 HydrophobicContact CE1-CE3 3.79Å; F221-W223 AromaticContact CE1-CG 3.66Å; F221-W223 HydrophobicContact CE1-CG 3.66Å; F221-W223 HydrophobicContact CE2-CB 4.37Å; F221-W223 HydrophobicContact CZ-CB 3.75Å; F221-W223 AromaticContact CZ-CD1 3.95Å; F221-W223 AromaticContact CZ-CD2 3.98Å; F221-W223 HydrophobicContact CZ-CD2 3.98Å; F221-W223 AromaticContact CZ-CG 3.62Å; F221-W223 HydrophobicContact CZ-CG 3.62Å; F221-W223 PolarHBondContact O-N 3.04Å; W223-I225 VanDerWaalsContact C-N 3.34Å; W223-I225 HydrophobicContact CD2-CD1 4.08Å; W223-I225 HydrophobicContact CD2-CG1 4.37Å; W223-I225 HydrophobicContact CE3-CD1 4.41Å; W223-I225 HydrophobicContact CG-CB 4.25Å; W223-I225 HydrophobicContact CH2-CD1 4.18Å; W223-I225 HydrophobicContact CZ2-CD1 3.82Å; W223-I225 HydrophobicContact CZ2-CG1 4.18Å; W223-I225 HydrophobicContact CZ3-CD1 4.46Å; W223-I225 PolarHBondContact O-N 2.91Å; W223-Y254 HydrophobicContact CH2-CD1 4.36Å; W223-Y254 HydrophobicContact CH2-CD2 4.48Å; W223-Y254 HydrophobicContact CH2-CG 4.21Å; W223-Y254 AromaticContact CZ2-CD1 3.99Å; W223-Y254 HydrophobicContact CZ2-CD1 3.99Å; W223-Y254 AromaticContact CZ2-CD2 3.7Å; W223-Y254 HydrophobicContact CZ2-CD2 3.7Å; W223-Y254 HydrophobicContact CZ2-CE1 4.08Å; W223-Y254 AromaticContact CZ2-CE2 3.79Å; W223-Y254 HydrophobicContact CZ2-CE2 3.79Å; W223-Y254 AromaticContact CZ2-CG 3.81Å; W223-Y254 HydrophobicContact CZ2-CG 3.81Å; W223-Y254 AromaticContact CZ2-CZ 4Å; W223-V259 HydrophobicContact CH2-CG2 4.2Å; W223-V259 HydrophobicContact CZ3-CG1 4.44Å; W223-V259 HydrophobicContact CZ3-CG2 4.39Å; W223-V262 HydrophobicContact CE3-CG1 4.12Å; W223-V262 HydrophobicContact CH2-CB 4.35Å; W223-V262 HydrophobicContact CH2-CG1 4.37Å; W223-V262 HydrophobicContact CH2-CG2 4.1Å; W223-V262 HydrophobicContact CZ3-CB 3.96Å; W223-V262 HydrophobicContact CZ3-CG1 3.73Å; W223-V262 HydrophobicContact CZ3-CG2 4.21Å; W223-V273 HydrophobicContact CE3-CG1 4.13Å; W223-V274 PolarHBondContact N-O 3.36Å; W223-E276 PolarHBondContact O-N 3.33Å; W223-F332 HydrophobicContact CE3-CE1 4.31Å
224	H	98.9	Very high	98.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	89.2	168.5	-170.1	95.9	0	0	0	109	L193 L194 D195 T196 V226 D227 E276 W479	L193-H224 HydrophobicContact CD2-CB 4.09Å; L193-H224 HydrophobicContact CG-CB 4.25Å; L194-H224 PolarHBondContact O-N 2.87Å; L194-H224 VanDerWaalsContact O-N 3.11Å; D195-H224 IonicContact OD1-CD2 3.54Å; T196-H224 PolarHBondContact N-O 2.87Å; T196-H224 PolarHBondContact OG1-O 3.21Å; H224-V226 PolarHBondContact NE2-O 3.49Å; H224-D227 IonicContact CE1-OD2 3.54Å; H224-D227 IonicContact NE2-OD2 2.77Å; H224-D227 PolarHBondContact NE2-OD2 2.63Å; H224-D227 VanDerWaalsContact NE2-OD2 3.13Å; H224-E276 IonicContact CE1-OE2 3.47Å; H224-E276 IonicContact CG-OE2 3.32Å; H224-E276 IonicContact ND1-OE1 2.82Å; H224-E276 IonicContact ND1-OE2 2.65Å; H224-E276 PolarHBondContact ND1-OE2 3.28Å; H224-W479 AromaticContact CD2-CZ3 3.93Å; H224-W479 AromaticContact CE1-CZ3 3.69Å; H224-W479 AromaticContact CG-CZ3 3.78Å; H224-W479 AromaticContact ND1-CH2 3.87Å; H224-W479 AromaticContact ND1-CZ3 3.61Å; H224-W479 AromaticContact NE2-CZ3 3.89Å
225	I	98.6	Very high	98.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-25.2	-161.6	-164	169.6	0	0	0	113.7	T196 W223 P232 Y233 Y254 E276 F277	T196-I225 WeakPolarHBondContact OG1-CA 3.31Å; W223-I225 VanDerWaalsContact C-N 3.34Å; W223-I225 HydrophobicContact CD2-CD1 4.08Å; W223-I225 HydrophobicContact CD2-CG1 4.37Å; W223-I225 HydrophobicContact CE3-CD1 4.41Å; W223-I225 HydrophobicContact CG-CB 4.25Å; W223-I225 HydrophobicContact CH2-CD1 4.18Å; W223-I225 HydrophobicContact CZ2-CD1 3.82Å; W223-I225 HydrophobicContact CZ2-CG1 4.18Å; W223-I225 HydrophobicContact CZ3-CD1 4.46Å; W223-I225 PolarHBondContact O-N 2.91Å; I225-P232 VanDerWaalsContact O-CD 3.25Å; I225-P232 WeakPolarHBondContact O-CD 3.45Å; I225-P232 WeakPolarHBondContact O-CG 3.48Å; I225-Y233 HydrophobicContact CD1-CD2 3.84Å; I225-Y233 HydrophobicContact CD1-CG 4.22Å; I225-Y254 HydrophobicContact CD1-CD2 4.14Å; I225-Y254 HydrophobicContact CG1-CD2 4Å; I225-Y254 HydrophobicContact CG1-CE2 4.33Å; I225-E276 VanDerWaalsContact CG2-O 3.31Å; I225-E276 WeakPolarHBondContact CG2-O 3.37Å; I225-F277 HydrophobicContact CG2-CD1 3.92Å; I225-F277 HydrophobicContact CG2-CD2 4.42Å; I225-F277 HydrophobicContact CG2-CE1 3.42Å; I225-F277 VanDerWaalsContact CG2-CE1 3.42Å; I225-F277 HydrophobicContact CG2-CE2 3.98Å; I225-F277 HydrophobicContact CG2-CG 4.4Å; I225-F277 HydrophobicContact CG2-CZ 3.46Å; I225-F277 VanDerWaalsContact CG2-CZ 3.46Å
226	V	98.8	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	150	-176.1	-60	0	0	0	0	109.8	H224 F231 F277 W286	H224-V226 PolarHBondContact NE2-O 3.49Å; V226-F231 HydrophobicContact CB-CD2 3.86Å; V226-F231 HydrophobicContact CB-CE2 4.08Å; V226-F231 HydrophobicContact CB-CG 4.38Å; V226-F231 HydrophobicContact CG1-CB 4.44Å; V226-F231 HydrophobicContact CG1-CD1 4.04Å; V226-F231 HydrophobicContact CG1-CD2 3.62Å; V226-F231 HydrophobicContact CG1-CE1 4.15Å; V226-F231 HydrophobicContact CG1-CE2 3.74Å; V226-F231 HydrophobicContact CG1-CG 3.78Å; V226-F231 HydrophobicContact CG1-CZ 4Å; V226-F231 HydrophobicContact CG2-CD2 4.31Å; V226-F231 HydrophobicContact CG2-CE2 4.08Å; V226-F277 HydrophobicContact CG1-CD1 4.47Å; V226-F277 HydrophobicContact CG1-CE1 4.26Å; V226-F277 HydrophobicContact CG2-CD1 3.63Å; V226-F277 HydrophobicContact CG2-CE1 4.23Å; V226-F277 HydrophobicContact CG2-CG 4.49Å; V226-W286 HydrophobicContact CG2-CZ2 3.59Å
227	D	98.6	Very high	98.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.011	10%	0.099	C	C	.	.			trans	-161.7	-169.7	178.8	-162.6	-82.7	0	0	0	108.2	S197 R198 H224 S230 H282 S285	S197-D227 VanDerWaalsContact CB-CB 3.44Å; S197-D227 VanDerWaalsContact OG-CA 3.28Å; S197-D227 WeakPolarHBondContact OG-CA 3.4Å; S197-D227 WeakPolarHBondContact OG-CB 3.46Å; S197-D227 PolarHBondContact OG-N 3.48Å; S197-D227 PolarHBondContact OG-O 3.45Å; R198-D227 VanDerWaalsContact CZ-CG 3.47Å; R198-D227 IonicContact CZ-OD1 3.59Å; R198-D227 IonicContact CZ-OD2 3.55Å; R198-D227 VanDerWaalsContact CZ-OD2 3.24Å; R198-D227 IonicContact NE-OD1 2.76Å; R198-D227 PolarHBondContact NE-OD1 2.8Å; R198-D227 IonicContact NE-OD2 2.73Å; R198-D227 PolarHBondContact NE-OD2 3.08Å; R198-D227 VanDerWaalsContact NH2-CG 3.32Å; R198-D227 IonicContact NH2-OD1 3.44Å; R198-D227 PolarHBondContact NH2-OD1 3.33Å; R198-D227 IonicContact NH2-OD2 3.69Å; R198-D227 PolarHBondContact NH2-OD2 2.87Å; H224-D227 IonicContact CE1-OD2 3.54Å; H224-D227 IonicContact NE2-OD2 2.77Å; H224-D227 PolarHBondContact NE2-OD2 2.63Å; H224-D227 VanDerWaalsContact NE2-OD2 3.13Å; D227-S230 PolarHBondContact N-O 2.98Å; D227-S230 VanDerWaalsContact O-O 3.08Å; D227-H282 CarbonylContact C-O 3.59Å; D227-H282 VanDerWaalsContact C-O 3.24Å; D227-H282 VanDerWaalsContact CA-O 3.24Å; D227-H282 WeakPolarHBondContact CA-O 3.32Å; D227-H282 IonicContact OD1-CG 2.71Å; D227-H282 IonicContact OD1-ND1 3.73Å; D227-H282 PolarHBondContact OD1-ND1 2.76Å; D227-H282 VanDerWaalsContact OD1-ND1 3.16Å; D227-H282 WeakPolarHBondContact OD2-CB 3.38Å; D227-H282 IonicContact OD2-CE1 2.78Å; D227-H282 IonicContact OD2-CG 3.63Å; D227-H282 IonicContact OD2-ND1 3.28Å; D227-H282 PolarHBondContact OD2-ND1 3.48Å; D227-S285 WeakPolarHBondContact O-CB 3.32Å; D227-S285 PolarHBondContact O-OG 2.98Å
228	D	97.9	Very high	98.5	Very high	58 Å²	58	21.5 Å²	21.5	31%	0.31	11%	0.105	S	C	.	.	S	Bend	trans	-50	-48.3	179.9	-80.8	-17	0	0	0	115.1	H282 T283 Q284 S285	D228-H282 PolarHBondContact N-O 2.78Å; D228-H282 VanDerWaalsContact OD1-CA 3.24Å; D228-H282 WeakPolarHBondContact OD1-CA 3.43Å; D228-T283 PolarHBondContact OD1-N 2.99Å; D228-Q284 HydrophobicContact CB-CB 3.95Å; D228-Q284 HydrophobicContact CB-CG 4.14Å; D228-Q284 WeakPolarHBondContact OD1-CB 3.29Å; D228-Q284 WeakPolarHBondContact OD1-CG 3.35Å; D228-Q284 PolarHBondContact OD1-N 2.61Å; D228-S285 WeakPolarHBondContact O-CB 3.15Å; D228-S285 PolarHBondContact O-N 3.03Å; D228-S285 VanDerWaalsContact O-N 3.08Å
229	P	97.8	Very high	98.4	Very high	48 Å²	48	24.4 Å²	24.4	31%	0.312	12%	0.124	S	C	.	.	S	Bend	trans	-74.2	-37.9	-171.9	-21.1	36.9	0	0	0	112.9	R198 Y247	R198-P229 HydrophobicContact CG-CG 4.23Å; P229-Y247 WeakPolarHBondContact CB-OH 3.39Å
230	S	98.6	Very high	98.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.142	C	C	.	.			trans	-148.3	153.4	-174.8	85.6	0	0	0	0	115.9	S197 D227 G245 S285	S197-S230 WeakPolarHBondContact CA-OG 3.36Å; S197-S230 PolarHBondContact O-OG 2.84Å; S197-S230 PolarHBondContact OG-N 3.25Å; S197-S230 PolarHBondContact OG-O 2.9Å; D227-S230 PolarHBondContact N-O 2.98Å; D227-S230 VanDerWaalsContact O-O 3.08Å; S230-G245 CarbonylContact C-O 3.48Å; S230-G245 VanDerWaalsContact CA-O 3.28Å; S230-G245 WeakPolarHBondContact CA-O 3.39Å; S230-S285 VanDerWaalsContact C-CB 3.41Å; S230-S285 PolarHBondContact O-OG 3.21Å
231	F	98.8	Very high	98.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.			trans	-120.7	79.9	174	-160.6	-76.9	0	0	0	110	V226 Y233 L241 S242 G245 A246 W286 F324	V226-F231 HydrophobicContact CB-CD2 3.86Å; V226-F231 HydrophobicContact CB-CE2 4.08Å; V226-F231 HydrophobicContact CB-CG 4.38Å; V226-F231 HydrophobicContact CG1-CB 4.44Å; V226-F231 HydrophobicContact CG1-CD1 4.04Å; V226-F231 HydrophobicContact CG1-CD2 3.62Å; V226-F231 HydrophobicContact CG1-CE1 4.15Å; V226-F231 HydrophobicContact CG1-CE2 3.74Å; V226-F231 HydrophobicContact CG1-CG 3.78Å; V226-F231 HydrophobicContact CG1-CZ 4Å; V226-F231 HydrophobicContact CG2-CD2 4.31Å; V226-F231 HydrophobicContact CG2-CE2 4.08Å; F231-Y233 WeakPolarHBondContact CD1-O 3.06Å; F231-Y233 AromaticContact CE1-CD1 3.98Å; F231-Y233 HydrophobicContact CE1-CD1 3.98Å; F231-Y233 WeakPolarHBondContact CE1-O 3.43Å; F231-Y233 HydrophobicContact CZ-CD1 4.29Å; F231-L241 HydrophobicContact CD1-CB 3.58Å; F231-L241 HydrophobicContact CD2-CB 4.5Å; F231-L241 HydrophobicContact CE1-CB 3.42Å; F231-L241 VanDerWaalsContact CE1-CB 3.42Å; F231-L241 HydrophobicContact CE1-CD1 3.91Å; F231-L241 HydrophobicContact CE1-CG 4.26Å; F231-L241 HydrophobicContact CE2-CB 4.36Å; F231-L241 HydrophobicContact CE2-CD1 4.23Å; F231-L241 HydrophobicContact CG-CB 4.14Å; F231-L241 HydrophobicContact CZ-CB 3.85Å; F231-L241 HydrophobicContact CZ-CD1 3.59Å; F231-L241 HydrophobicContact CZ-CG 4.23Å; F231-S242 VanDerWaalsContact O-CA 3.25Å; F231-S242 WeakPolarHBondContact O-CA 3.48Å; F231-S242 WeakPolarHBondContact O-CB 3.45Å; F231-G245 PolarHBondContact N-O 3.24Å; F231-A246 WeakPolarHBondContact O-CB 3.49Å; F231-A246 PolarHBondContact O-N 2.75Å; F231-W286 AromaticContact CD2-CD1 3.77Å; F231-W286 HydrophobicContact CD2-CD2 4.04Å; F231-W286 AromaticContact CD2-CG 3.88Å; F231-W286 HydrophobicContact CD2-CG 3.88Å; F231-W286 AromaticContact CD2-NE1 3.93Å; F231-W286 AromaticContact CE2-CD2 3.52Å; F231-W286 HydrophobicContact CE2-CD2 3.52Å; F231-W286 AromaticContact CE2-CE2 3.58Å; F231-W286 AromaticContact CE2-CE3 3.89Å; F231-W286 HydrophobicContact CE2-CE3 3.89Å; F231-W286 AromaticContact CE2-CG 3.88Å; F231-W286 HydrophobicContact CE2-CG 3.88Å; F231-W286 HydrophobicContact CE2-CH2 4.36Å; F231-W286 HydrophobicContact CE2-CZ2 4.04Å; F231-W286 HydrophobicContact CE2-CZ3 4.28Å; F231-W286 AromaticContact CE2-NE1 3.9Å; F231-F324 HydrophobicContact CZ-CE2 4.01Å; F231-F324 AromaticContact CZ-CZ 3.89Å; F231-F324 HydrophobicContact CZ-CZ 3.89Å
232	P	98.7	Very high	98.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.143	C	C	.	.			trans	-78.4	-17.5	-176.7	31.1	-38.4	0	0	0	113.8	F200 I225 L234 H252 V253 Y254	F200-P232 HydrophobicContact CD2-CB 4.04Å; F200-P232 HydrophobicContact CE2-CB 4.36Å; I225-P232 VanDerWaalsContact O-CD 3.25Å; I225-P232 WeakPolarHBondContact O-CD 3.45Å; I225-P232 WeakPolarHBondContact O-CG 3.48Å; P232-L234 PolarHBondContact O-N 2.9Å; P232-H252 WeakPolarHBondContact CB-O 3.44Å; P232-V253 CarbonylContact O-C 3.24Å; P232-V253 VanDerWaalsContact O-CA 3.24Å; P232-V253 WeakPolarHBondContact O-CA 3.41Å; P232-V253 WeakPolarHBondContact O-CG1 3.34Å; P232-Y254 HydrophobicContact CB-CD2 3.78Å; P232-Y254 HydrophobicContact CB-CE2 3.82Å; P232-Y254 HydrophobicContact CG-CD2 3.93Å; P232-Y254 HydrophobicContact CG-CE2 3.76Å; P232-Y254 PolarHBondContact O-N 3.2Å
233	Y	98.8	Very high	98.3	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.02	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-67.6	120	-180	172.8	-106.9	0	0	0	112.4	I225 F231 S235 S242 V259 F277 F324 E327 I328 F332	I225-Y233 HydrophobicContact CD1-CD2 3.84Å; I225-Y233 HydrophobicContact CD1-CG 4.22Å; F231-Y233 WeakPolarHBondContact CD1-O 3.06Å; F231-Y233 AromaticContact CE1-CD1 3.98Å; F231-Y233 HydrophobicContact CE1-CD1 3.98Å; F231-Y233 WeakPolarHBondContact CE1-O 3.43Å; F231-Y233 HydrophobicContact CZ-CD1 4.29Å; Y233-S235 PolarHBondContact O-N 3.1Å; Y233-S242 WeakPolarHBondContact O-CB 3.42Å; Y233-V259 HydrophobicContact CD2-CG2 4.31Å; Y233-V259 HydrophobicContact CE2-CG2 4.35Å; Y233-F277 AromaticContact CD1-CE1 3.71Å; Y233-F277 HydrophobicContact CD1-CE1 3.71Å; Y233-F277 AromaticContact CD1-CZ 3.84Å; Y233-F277 HydrophobicContact CD1-CZ 3.84Å; Y233-F277 HydrophobicContact CD2-CZ 4.15Å; Y233-F277 HydrophobicContact CE1-CE1 4.31Å; Y233-F277 HydrophobicContact CE1-CZ 4.13Å; Y233-F277 HydrophobicContact CE2-CZ 4.41Å; Y233-F277 AromaticContact CG-CE1 3.91Å; Y233-F277 HydrophobicContact CG-CE1 3.91Å; Y233-F277 AromaticContact CG-CZ 3.87Å; Y233-F277 HydrophobicContact CG-CZ 3.87Å; Y233-F324 HydrophobicContact CD1-CE2 4.31Å; Y233-F324 HydrophobicContact CD1-CZ 4.27Å; Y233-F324 HydrophobicContact CE1-CE2 4.11Å; Y233-F324 HydrophobicContact CE1-CZ 4.27Å; Y233-E327 WeakPolarHBondContact CE1-OE1 3.37Å; Y233-E327 PolarHBondContact OH-OE1 2.81Å; Y233-I328 HydrophobicContact CD1-CD1 4.47Å; Y233-I328 HydrophobicContact CE1-CD1 3.63Å; Y233-F332 HydrophobicContact CE2-CE2 4.26Å
234	L	98.6	Very high	98.3	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.267	19%	0.189	S	C	.	.			trans	-83	93.9	175.1	-179.4	57.5	0	0	0	111.4	P232 S242 V253 Y254 T255	P232-L234 PolarHBondContact O-N 2.9Å; L234-S242 WeakPolarHBondContact CD1-OG 3.24Å; L234-V253 HydrophobicContact CB-CG1 3.66Å; L234-V253 HydrophobicContact CD2-CG1 4.42Å; L234-V253 HydrophobicContact CG-CG1 4.49Å; L234-Y254 VanDerWaalsContact CB-O 3.3Å; L234-Y254 WeakPolarHBondContact CB-O 3.29Å; L234-Y254 PolarHBondContact N-O 3.4Å; L234-T255 HydrophobicContact CD2-CG2 4.49Å
235	S	98.4	Very high	98.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.189	C	C	.	.			trans	-68.5	137	169.5	179	0	0	0	0	111.4	Y233 T237 F238 P239 E327	Y233-S235 PolarHBondContact O-N 3.1Å; S235-T237 PolarHBondContact OG-N 3.42Å; S235-T237 PolarHBondContact OG-OG1 3.49Å; S235-T237 VanDerWaalsContact OG-OG1 3.11Å; S235-F238 PolarHBondContact OG-N 3.31Å; S235-P239 WeakPolarHBondContact O-CA 3.23Å; S235-E327 WeakPolarHBondContact CA-OE1 3.28Å; S235-E327 VanDerWaalsContact CB-OE1 3.27Å; S235-E327 WeakPolarHBondContact CB-OE1 3.31Å; S235-E327 PolarHBondContact OG-OE1 2.97Å; S235-E327 PolarHBondContact OG-OE2 2.84Å
236	R	97.1	Very high	98.2	Very high	181 Å²	181	38.9 Å²	38.9	68%	0.683	20%	0.195	S	C	*	.	S	Bend	trans	-80.5	-37.1	174.8	-63.6	-179.5	178.7	173.1	1.4	111.1	P256 E327	R236-P256 HydrophobicContact CG-CG 4.21Å; R236-E327 WeakPolarHBondContact CA-OE2 3.14Å; R236-E327 WeakPolarHBondContact CB-OE2 3.28Å; R236-E327 PolarHBondContact N-OE1 2.95Å; R236-E327 PolarHBondContact N-OE2 3.15Å
237	T	97.5	Very high	98.2	Very high	68 Å²	68	44.3 Å²	44.3	42%	0.417	22%	0.216	S	C	.	.	S	Bend	trans	-72.5	-34.8	176.7	55.4	0	0	0	0	111.7	S235 E327	S235-T237 PolarHBondContact OG-N 3.42Å; S235-T237 PolarHBondContact OG-OG1 3.49Å; S235-T237 VanDerWaalsContact OG-OG1 3.11Å; T237-E327 HydrophobicContact CG2-CB 4.31Å; T237-E327 WeakPolarHBondContact CG2-OE2 3.01Å; T237-E327 PolarHBondContact N-OE2 2.96Å; T237-E327 PolarHBondContact OG1-OE2 3.18Å
238	F	98.2	Very high	98.1	Very high	31 Å²	31	48.2 Å²	48.2	14%	0.136	23%	0.234	C	C	.	.			trans	-128.4	70.5	-179.8	-56.6	-77.6	0	0	0	113.4	S235 N240 L241 F320 Q323 F324	S235-F238 PolarHBondContact OG-N 3.31Å; F238-N240 PolarHBondContact O-N 2.91Å; F238-N240 VanDerWaalsContact O-N 3.08Å; F238-L241 HydrophobicContact CB-CD1 3.57Å; F238-L241 HydrophobicContact CB-CG 3.8Å; F238-L241 HydrophobicContact CG-CD1 4.35Å; F238-L241 WeakPolarHBondContact O-CB 3.49Å; F238-L241 PolarHBondContact O-N 2.99Å; F238-L241 VanDerWaalsContact O-N 3.08Å; F238-F320 HydrophobicContact CB-CE2 4.41Å; F238-F320 AromaticContact CD1-CD2 3.97Å; F238-F320 HydrophobicContact CD1-CD2 3.97Å; F238-F320 AromaticContact CD1-CE2 3.93Å; F238-F320 HydrophobicContact CD1-CE2 3.93Å; F238-F320 HydrophobicContact CD2-CD2 4.15Å; F238-F320 AromaticContact CD2-CE2 3.75Å; F238-F320 HydrophobicContact CD2-CE2 3.75Å; F238-F320 AromaticContact CE1-CD2 3.67Å; F238-F320 HydrophobicContact CE1-CD2 3.67Å; F238-F320 HydrophobicContact CE1-CE2 4.09Å; F238-F320 AromaticContact CE2-CD2 3.86Å; F238-F320 HydrophobicContact CE2-CD2 3.86Å; F238-F320 AromaticContact CE2-CE2 3.91Å; F238-F320 HydrophobicContact CE2-CE2 3.91Å; F238-F320 HydrophobicContact CG-CD2 4.21Å; F238-F320 AromaticContact CG-CE2 3.76Å; F238-F320 HydrophobicContact CG-CE2 3.76Å; F238-F320 AromaticContact CZ-CD2 3.61Å; F238-F320 HydrophobicContact CZ-CD2 3.61Å; F238-F320 HydrophobicContact CZ-CE2 4.08Å; F238-Q323 HydrophobicContact CE2-CB 3.84Å; F238-Q323 HydrophobicContact CZ-CB 3.77Å; F238-F324 HydrophobicContact CD2-CB 4.36Å; F238-F324 HydrophobicContact CD2-CD2 4.02Å; F238-F324 HydrophobicContact CE2-CB 4.05Å
239	P	97.5	Very high	97.9	Very high	62 Å²	62	47.8 Å²	47.8	40%	0.403	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25	-177	-23.9	34.3	0	0	0	114.5	S235 L241 Q243	S235-P239 WeakPolarHBondContact O-CA 3.23Å; P239-L241 PolarHBondContact O-N 2.79Å; P239-Q243 WeakPolarHBondContact O-CB 3.04Å; P239-Q243 PolarHBondContact O-N 3.41Å; P239-Q243 VanDerWaalsContact O-N 3.16Å
240	N	98.1	Very high	97.7	Very high	74 Å²	74	54.4 Å²	54.4	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-24.4	178.9	-74.1	-33.3	0	0	0	113	F238 Q243 K244 G289	F238-N240 PolarHBondContact O-N 2.91Å; F238-N240 VanDerWaalsContact O-N 3.08Å; N240-Q243 PolarHBondContact OD1-OE1 3.05Å; N240-K244 WeakPolarHBondContact O-CB 3.49Å; N240-K244 PolarHBondContact O-N 3.32Å; N240-G289 VanDerWaalsContact CB-O 3.29Å; N240-G289 WeakPolarHBondContact CB-O 3.31Å; N240-G289 VanDerWaalsContact O-CA 3.23Å; N240-G289 WeakPolarHBondContact O-CA 3.41Å
241	L	98.4	Very high	97.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-55.6	179.2	-67.1	174.2	0	0	0	110.7	F231 F238 P239 G245 Q290 F320 F324	F231-L241 HydrophobicContact CD1-CB 3.58Å; F231-L241 HydrophobicContact CD2-CB 4.5Å; F231-L241 HydrophobicContact CE1-CB 3.42Å; F231-L241 VanDerWaalsContact CE1-CB 3.42Å; F231-L241 HydrophobicContact CE1-CD1 3.91Å; F231-L241 HydrophobicContact CE1-CG 4.26Å; F231-L241 HydrophobicContact CE2-CB 4.36Å; F231-L241 HydrophobicContact CE2-CD1 4.23Å; F231-L241 HydrophobicContact CG-CB 4.14Å; F231-L241 HydrophobicContact CZ-CB 3.85Å; F231-L241 HydrophobicContact CZ-CD1 3.59Å; F231-L241 HydrophobicContact CZ-CG 4.23Å; F238-L241 HydrophobicContact CB-CD1 3.57Å; F238-L241 HydrophobicContact CB-CG 3.8Å; F238-L241 HydrophobicContact CG-CD1 4.35Å; F238-L241 WeakPolarHBondContact O-CB 3.49Å; F238-L241 PolarHBondContact O-N 2.99Å; F238-L241 VanDerWaalsContact O-N 3.08Å; P239-L241 PolarHBondContact O-N 2.79Å; L241-G245 WeakPolarHBondContact O-CA 3.31Å; L241-G245 PolarHBondContact O-N 2.93Å; L241-Q290 HydrophobicContact CD2-CB 3.94Å; L241-F320 HydrophobicContact CD1-CE2 4.05Å; L241-F320 HydrophobicContact CD1-CZ 3.9Å; L241-F320 HydrophobicContact CD2-CE2 4.38Å; L241-F320 HydrophobicContact CD2-CZ 4.22Å; L241-F324 HydrophobicContact CD1-CD2 4.03Å; L241-F324 HydrophobicContact CD1-CE2 3.76Å
242	S	97.9	Very high	97.6	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-76.2	-34.8	176.4	63.6	0	0	0	0	113.3	F231 Y233 L234 K244 A246	F231-S242 VanDerWaalsContact O-CA 3.25Å; F231-S242 WeakPolarHBondContact O-CA 3.48Å; F231-S242 WeakPolarHBondContact O-CB 3.45Å; Y233-S242 WeakPolarHBondContact O-CB 3.42Å; L234-S242 WeakPolarHBondContact CD1-OG 3.24Å; S242-K244 PolarHBondContact O-N 3.24Å; S242-K244 VanDerWaalsContact O-N 3.16Å; S242-A246 WeakPolarHBondContact O-CB 3.24Å; S242-A246 PolarHBondContact O-N 2.97Å
243	Q	97.8	Very high	97.6	Very high	103 Å²	103	62.2 Å²	62.2	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-30.3	-178.5	-170.3	176.9	16	0	0	112.7	P239 N240 P249	P239-Q243 WeakPolarHBondContact O-CB 3.04Å; P239-Q243 PolarHBondContact O-N 3.41Å; P239-Q243 VanDerWaalsContact O-N 3.16Å; N240-Q243 PolarHBondContact OD1-OE1 3.05Å; Q243-P249 HydrophobicContact CG-CB 4.4Å
244	K	98.3	Very high	97.6	Very high	114 Å²	114	62 Å²	62	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-114	-21.6	-179.8	-59.5	-179.7	-177.9	176.6	0	113.5	N240 S242 K288	N240-K244 WeakPolarHBondContact O-CB 3.49Å; N240-K244 PolarHBondContact O-N 3.32Å; S242-K244 PolarHBondContact O-N 3.24Å; S242-K244 VanDerWaalsContact O-N 3.16Å; K244-K288 HydrophobicContact CB-CB 4.04Å; K244-K288 WeakPolarHBondContact CB-O 3.45Å; K244-K288 WeakPolarHBondContact CD-O 3.45Å; K244-K288 WeakPolarHBondContact O-CB 3.37Å; K244-K288 VanDerWaalsContact O-CD 3.25Å; K244-K288 WeakPolarHBondContact O-CD 3.4Å
245	G	97.9	Very high	97.6	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-94	-29	-176.5	0	0	0	0	0	114.6	S230 F231 L241	S230-G245 CarbonylContact C-O 3.48Å; S230-G245 VanDerWaalsContact CA-O 3.28Å; S230-G245 WeakPolarHBondContact CA-O 3.39Å; F231-G245 PolarHBondContact N-O 3.24Å; L241-G245 WeakPolarHBondContact O-CA 3.31Å; L241-G245 PolarHBondContact O-N 2.93Å
246	A	98.3	Very high	97.6	Very high	14 Å²	14	64 Å²	64	12%	0.116	31%	0.311	C	S	.	.	S	Bend	trans	-69.8	157.4	178.1	0	0	0	0	0	112.2	F231 S242 H248 V253	F231-A246 WeakPolarHBondContact O-CB 3.49Å; F231-A246 PolarHBondContact O-N 2.75Å; S242-A246 WeakPolarHBondContact O-CB 3.24Å; S242-A246 PolarHBondContact O-N 2.97Å; A246-H248 PolarHBondContact O-N 3.4Å; A246-V253 HydrophobicContact CB-CG2 3.77Å
247	Y	98.4	Very high	97.7	Very high	113 Å²	113	58.4 Å²	58.4	44%	0.443	30%	0.304	S	S	.	.	S	Bend	trans	-57.8	-36.4	171.6	-76.3	-58.7	0	0	0	112.8	S197 R198 P229	S197-Y247 VanDerWaalsContact O-CE2 3.31Å; S197-Y247 WeakPolarHBondContact O-CE2 3.4Å; R198-Y247 PolarHBondContact O-OH 3.46Å; P229-Y247 WeakPolarHBondContact CB-OH 3.39Å
248	H	97.8	Very high	97.7	Very high	85 Å²	85	57 Å²	57	39%	0.394	29%	0.294	S	S	.	.	S	Bend	trans	-148.5	129.7	172	-171.3	-74.2	0	0	0	109.8	A246 Y250 T251 H252 V253	A246-H248 PolarHBondContact O-N 3.4Å; H248-Y250 AromaticContact CE1-CD2 3.9Å; H248-Y250 PolarHBondContact ND1-N 2.66Å; H248-Y250 PolarHBondContact O-N 3.09Å; H248-T251 VanDerWaalsContact CB-OG1 3.32Å; H248-T251 WeakPolarHBondContact CB-OG1 3.46Å; H248-T251 VanDerWaalsContact CG-OG1 3.23Å; H248-T251 PolarHBondContact ND1-OG1 2.85Å; H248-H252 HydrophobicContact CB-CB 4.33Å; H248-H252 PolarHBondContact O-N 3.02Å; H248-V253 WeakPolarHBondContact O-CG2 3.3Å
249	P	93.7	Very high	97.8	Very high	48 Å²	48	55.5 Å²	55.5	31%	0.312	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	3.4	-168.3	25.3	-36.1	0	0	0	116.5	Q243	Q243-P249 HydrophobicContact CG-CB 4.4Å
250	Y	93.3	Very high	97.8	Very high	187 Å²	187	60.1 Å²	60.1	73%	0.733	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.7	-36.4	-174.4	-59.8	-71.1	0	0	0	113.5	H248	H248-Y250 AromaticContact CE1-CD2 3.9Å; H248-Y250 PolarHBondContact ND1-N 2.66Å; H248-Y250 PolarHBondContact O-N 3.09Å
251	T	96.9	Very high	97.9	Very high	84 Å²	84	61.3 Å²	61.3	52%	0.515	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-21.8	-173.8	53	0	0	0	0	113	H248	H248-T251 VanDerWaalsContact CB-OG1 3.32Å; H248-T251 WeakPolarHBondContact CB-OG1 3.46Å; H248-T251 VanDerWaalsContact CG-OG1 3.23Å; H248-T251 PolarHBondContact ND1-OG1 2.85Å
252	H	98.2	Very high	97.9	Very high	70 Å²	70	61.3 Å²	61.3	32%	0.324	31%	0.305	S	S	.	.	S	Bend	trans	-119.9	49.1	-177.7	-64.6	63.1	0	0	0	109.5	F200 P232 H248	F200-H252 HydrophobicContact CB-CB 4.13Å; F200-H252 VanDerWaalsContact CB-CD2 3.5Å; F200-H252 WeakPolarHBondContact CB-CD2 3.31Å; F200-H252 HydrophobicContact CD1-CB 4.24Å; F200-H252 AromaticContact CD1-CD2 3.8Å; F200-H252 HydrophobicContact CD2-CB 4.01Å; F200-H252 VanDerWaalsContact CE2-C 3.4Å; F200-H252 HydrophobicContact CE2-CB 4.5Å; F200-H252 HydrophobicContact CG-CB 3.87Å; F200-H252 AromaticContact CG-CD2 3.79Å; P232-H252 WeakPolarHBondContact CB-O 3.44Å; H248-H252 HydrophobicContact CB-CB 4.33Å; H248-H252 PolarHBondContact O-N 3.02Å
253	V	98.7	Very high	97.9	Very high	13 Å²	13	61.6 Å²	61.6	8%	0.079	31%	0.307	C	S	.	.			trans	-135.4	136.2	-176.3	173.1	0	0	0	0	108.5	P232 L234 A246 H248	P232-V253 CarbonylContact O-C 3.24Å; P232-V253 VanDerWaalsContact O-CA 3.24Å; P232-V253 WeakPolarHBondContact O-CA 3.41Å; P232-V253 WeakPolarHBondContact O-CG1 3.34Å; L234-V253 HydrophobicContact CB-CG1 3.66Å; L234-V253 HydrophobicContact CD2-CG1 4.42Å; L234-V253 HydrophobicContact CG-CG1 4.49Å; A246-V253 HydrophobicContact CB-CG2 3.77Å; H248-V253 WeakPolarHBondContact O-CG2 3.3Å
254	Y	98.8	Very high	98	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-89.9	107.7	169.2	-59.3	-60.1	0	0	0	109.2	T196 F200 L201 V203 I206 W223 I225 P232 L234	T196-Y254 VanDerWaalsContact CB-OH 3.28Å; T196-Y254 WeakPolarHBondContact CB-OH 3.09Å; T196-Y254 HydrophobicContact CG2-CE2 4.34Å; T196-Y254 WeakPolarHBondContact CG2-OH 3.23Å; F200-Y254 HydrophobicContact CD2-CE1 4.22Å; F200-Y254 HydrophobicContact CD2-CE2 4.1Å; F200-Y254 AromaticContact CD2-CZ 3.75Å; F200-Y254 AromaticContact CE2-CD1 3.9Å; F200-Y254 HydrophobicContact CE2-CD1 3.9Å; F200-Y254 HydrophobicContact CE2-CD2 4.33Å; F200-Y254 AromaticContact CE2-CE1 3.41Å; F200-Y254 HydrophobicContact CE2-CE1 3.41Å; F200-Y254 VanDerWaalsContact CE2-CE1 3.41Å; F200-Y254 AromaticContact CE2-CE2 3.9Å; F200-Y254 HydrophobicContact CE2-CE2 3.9Å; F200-Y254 HydrophobicContact CE2-CG 4.32Å; F200-Y254 AromaticContact CE2-CZ 3.4Å; F200-Y254 VanDerWaalsContact CE2-CZ 3.4Å; F200-Y254 HydrophobicContact CZ-CD1 4.28Å; F200-Y254 AromaticContact CZ-CE1 3.77Å; F200-Y254 HydrophobicContact CZ-CE1 3.77Å; L201-Y254 PolarHBondContact N-OH 3.16Å; L201-Y254 VanDerWaalsContact N-OH 3.15Å; L201-Y254 VanDerWaalsContact O-CE1 3.26Å; L201-Y254 WeakPolarHBondContact O-CE1 3.06Å; L201-Y254 PolarHBondContact O-OH 2.77Å; V203-Y254 HydrophobicContact CG2-CD1 4.17Å; V203-Y254 HydrophobicContact CG2-CE1 4.34Å; I206-Y254 HydrophobicContact CD1-CE1 3.86Å; W223-Y254 HydrophobicContact CH2-CD1 4.36Å; W223-Y254 HydrophobicContact CH2-CD2 4.48Å; W223-Y254 HydrophobicContact CH2-CG 4.21Å; W223-Y254 AromaticContact CZ2-CD1 3.99Å; W223-Y254 HydrophobicContact CZ2-CD1 3.99Å; W223-Y254 AromaticContact CZ2-CD2 3.7Å; W223-Y254 HydrophobicContact CZ2-CD2 3.7Å; W223-Y254 HydrophobicContact CZ2-CE1 4.08Å; W223-Y254 AromaticContact CZ2-CE2 3.79Å; W223-Y254 HydrophobicContact CZ2-CE2 3.79Å; W223-Y254 AromaticContact CZ2-CG 3.81Å; W223-Y254 HydrophobicContact CZ2-CG 3.81Å; W223-Y254 AromaticContact CZ2-CZ 4Å; I225-Y254 HydrophobicContact CD1-CD2 4.14Å; I225-Y254 HydrophobicContact CG1-CD2 4Å; I225-Y254 HydrophobicContact CG1-CE2 4.33Å; P232-Y254 HydrophobicContact CB-CD2 3.78Å; P232-Y254 HydrophobicContact CB-CE2 3.82Å; P232-Y254 HydrophobicContact CG-CD2 3.93Å; P232-Y254 HydrophobicContact CG-CE2 3.76Å; P232-Y254 PolarHBondContact O-N 3.2Å; L234-Y254 VanDerWaalsContact CB-O 3.3Å; L234-Y254 WeakPolarHBondContact CB-O 3.29Å; L234-Y254 PolarHBondContact N-O 3.4Å
255	T	98.6	Very high	98	Very high	51 Å²	51	56.7 Å²	56.7	31%	0.313	29%	0.285	S	S	.	.			trans	-73	163.5	176.9	70.7	0	0	0	0	110.9	L234 A257 D258 V259	L234-T255 HydrophobicContact CD2-CG2 4.49Å; T255-A257 PolarHBondContact O-N 2.91Å; T255-A257 VanDerWaalsContact O-N 3.09Å; T255-A257 PolarHBondContact OG1-N 3.31Å; T255-D258 VanDerWaalsContact CB-OD2 3.32Å; T255-D258 WeakPolarHBondContact CB-OD2 3.33Å; T255-D258 WeakPolarHBondContact CG2-OD2 3.41Å; T255-D258 PolarHBondContact N-OD2 3.01Å; T255-D258 WeakPolarHBondContact O-CB 3.21Å; T255-D258 PolarHBondContact O-N 3.08Å; T255-D258 PolarHBondContact OG1-N 2.77Å; T255-D258 PolarHBondContact OG1-OD2 3.13Å; T255-V259 PolarHBondContact O-N 3.21Å
256	P	98.6	Very high	98.1	Very high	42 Å²	42	56.7 Å²	56.7	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-56.4	-26.9	172.5	-27.7	34.7	0	0	0	114	R236 K260	R236-P256 HydrophobicContact CG-CG 4.21Å; P256-K260 VanDerWaalsContact O-CB 3.31Å; P256-K260 WeakPolarHBondContact O-CB 3.39Å; P256-K260 PolarHBondContact O-N 3.46Å; P256-K260 VanDerWaalsContact O-N 3.16Å
257	A	98.6	Very high	98.1	Very high	65 Å²	65	57 Å²	57	54%	0.537	28%	0.283	S	S	.	.	H	α-helix	trans	-73.3	-39.6	174.9	0	0	0	0	0	111.6	T255 K260 M261	T255-A257 PolarHBondContact O-N 2.91Å; T255-A257 VanDerWaalsContact O-N 3.09Å; T255-A257 PolarHBondContact OG1-N 3.31Å; A257-K260 PolarHBondContact O-N 2.72Å; A257-M261 WeakPolarHBondContact O-CB 3.28Å; A257-M261 PolarHBondContact O-N 2.86Å
258	D	98.8	Very high	98.1	Very high	37 Å²	37	52.7 Å²	52.7	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-48.6	176.3	-59.9	-45.2	0	0	0	111.1	V203 T255 K260 M261 V262	V203-D258 HydrophobicContact CG2-CB 3.71Å; T255-D258 VanDerWaalsContact CB-OD2 3.32Å; T255-D258 WeakPolarHBondContact CB-OD2 3.33Å; T255-D258 WeakPolarHBondContact CG2-OD2 3.41Å; T255-D258 PolarHBondContact N-OD2 3.01Å; T255-D258 WeakPolarHBondContact O-CB 3.21Å; T255-D258 PolarHBondContact O-N 3.08Å; T255-D258 PolarHBondContact OG1-N 2.77Å; T255-D258 PolarHBondContact OG1-OD2 3.13Å; D258-K260 VanDerWaalsContact C-N 3.34Å; D258-K260 PolarHBondContact O-N 3.02Å; D258-M261 WeakPolarHBondContact O-CB 3.24Å; D258-M261 PolarHBondContact O-N 3.15Å; D258-M261 VanDerWaalsContact O-N 3.1Å; D258-V262 WeakPolarHBondContact O-CG2 3.41Å; D258-V262 PolarHBondContact O-N 3.15Å
259	V	98.9	Very high	98.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-45.9	177.9	176.6	0	0	0	0	110.7	W223 Y233 T255 M261 V262 I263 V331 F332	W223-V259 HydrophobicContact CH2-CG2 4.2Å; W223-V259 HydrophobicContact CZ3-CG1 4.44Å; W223-V259 HydrophobicContact CZ3-CG2 4.39Å; Y233-V259 HydrophobicContact CD2-CG2 4.31Å; Y233-V259 HydrophobicContact CE2-CG2 4.35Å; T255-V259 PolarHBondContact O-N 3.21Å; V259-M261 VanDerWaalsContact C-N 3.31Å; V259-M261 PolarHBondContact O-N 3.02Å; V259-V262 PolarHBondContact O-N 3.19Å; V259-I263 HydrophobicContact CG1-CD1 3.76Å; V259-I263 VanDerWaalsContact O-CG1 3.3Å; V259-I263 WeakPolarHBondContact O-CG1 3.44Å; V259-I263 PolarHBondContact O-N 2.62Å; V259-V331 HydrophobicContact CG1-CG1 3.76Å; V259-F332 HydrophobicContact CG1-CE1 3.77Å; V259-F332 HydrophobicContact CG1-CE2 4.39Å; V259-F332 HydrophobicContact CG1-CZ 3.66Å
260	K	98.7	Very high	98.4	Very high	159 Å²	159	47.5 Å²	47.5	69%	0.691	24%	0.239	S	C	*	.	H	α-helix	trans	-61.4	-39.2	175.3	-176.2	176.3	-180	177.9	0	112.4	P256 A257 D258 E264	P256-K260 VanDerWaalsContact O-CB 3.31Å; P256-K260 WeakPolarHBondContact O-CB 3.39Å; P256-K260 PolarHBondContact O-N 3.46Å; P256-K260 VanDerWaalsContact O-N 3.16Å; A257-K260 PolarHBondContact O-N 2.72Å; D258-K260 VanDerWaalsContact C-N 3.34Å; D258-K260 PolarHBondContact O-N 3.02Å; K260-E264 PolarHBondContact O-N 2.82Å
261	M	98.8	Very high	98.6	Very high	98 Å²	98	38.7 Å²	38.7	48%	0.483	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-46	177.5	-176.4	-177.1	-60.7	0	0	111.3	V203 L207 A257 D258 V259 E264 F265	V203-M261 HydrophobicContact CG1-SD 4.19Å; L207-M261 HydrophobicContact CD1-CG 4.35Å; L207-M261 HydrophobicContact CD1-SD 3.98Å; A257-M261 WeakPolarHBondContact O-CB 3.28Å; A257-M261 PolarHBondContact O-N 2.86Å; D258-M261 WeakPolarHBondContact O-CB 3.24Å; D258-M261 PolarHBondContact O-N 3.15Å; D258-M261 VanDerWaalsContact O-N 3.1Å; V259-M261 VanDerWaalsContact C-N 3.31Å; V259-M261 PolarHBondContact O-N 3.02Å; M261-E264 PolarHBondContact O-N 2.9Å; M261-F265 WeakPolarHBondContact O-CB 3.25Å; M261-F265 PolarHBondContact O-N 2.84Å
262	V	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-48.1	176.6	172.5	0	0	0	0	110.6	V203 I206 L207 L210 F221 W223 D258 V259 E264 F265 A266	V203-V262 HydrophobicContact CG1-CG2 4.15Å; I206-V262 HydrophobicContact CG2-CG1 3.99Å; I206-V262 HydrophobicContact CG2-CG2 4.17Å; L207-V262 HydrophobicContact CD2-CG2 4.11Å; L210-V262 HydrophobicContact CD1-CG1 4.07Å; F221-V262 HydrophobicContact CD1-CG1 4.17Å; F221-V262 HydrophobicContact CE1-CG1 3.89Å; W223-V262 HydrophobicContact CE3-CG1 4.12Å; W223-V262 HydrophobicContact CH2-CB 4.35Å; W223-V262 HydrophobicContact CH2-CG1 4.37Å; W223-V262 HydrophobicContact CH2-CG2 4.1Å; W223-V262 HydrophobicContact CZ3-CB 3.96Å; W223-V262 HydrophobicContact CZ3-CG1 3.73Å; W223-V262 HydrophobicContact CZ3-CG2 4.21Å; D258-V262 WeakPolarHBondContact O-CG2 3.41Å; D258-V262 PolarHBondContact O-N 3.15Å; V259-V262 PolarHBondContact O-N 3.19Å; V262-E264 PolarHBondContact O-N 2.96Å; V262-F265 PolarHBondContact O-N 3.48Å; V262-A266 VanDerWaalsContact O-CB 3.3Å; V262-A266 WeakPolarHBondContact O-CB 3.47Å; V262-A266 PolarHBondContact O-N 2.96Å
263	I	98.9	Very high	98.8	Very high	10 Å²	10	32 Å²	32	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-48.6	179	-69.8	166.1	0	0	0	111.6	Y127 V259 A266 R267 V273 F332 P333	Y127-I263 HydrophobicContact CE1-CG2 3.66Å; V259-I263 HydrophobicContact CG1-CD1 3.76Å; V259-I263 VanDerWaalsContact O-CG1 3.3Å; V259-I263 WeakPolarHBondContact O-CG1 3.44Å; V259-I263 PolarHBondContact O-N 2.62Å; I263-A266 PolarHBondContact O-N 2.9Å; I263-R267 WeakPolarHBondContact O-CB 3.43Å; I263-R267 PolarHBondContact O-N 3.4Å; I263-V273 HydrophobicContact CG1-CB 4.22Å; I263-V273 HydrophobicContact CG1-CG1 4.31Å; I263-V273 HydrophobicContact CG1-CG2 4.23Å; I263-F332 HydrophobicContact CD1-CD1 3.86Å; I263-F332 HydrophobicContact CD1-CE1 4.17Å; I263-F332 HydrophobicContact CG1-CD1 4.42Å; I263-P333 HydrophobicContact CG2-CG 3.74Å
264	E	98.7	Very high	98.8	Very high	65 Å²	65	31.4 Å²	31.4	30%	0.304	17%	0.165	S	C	.	.	H	α-helix	trans	-69.3	-38.1	-179.7	-178.4	57.9	-165.1	0	0	111.9	K260 M261 V262 A266 R267 L268	K260-E264 PolarHBondContact O-N 2.82Å; M261-E264 PolarHBondContact O-N 2.9Å; V262-E264 PolarHBondContact O-N 2.96Å; E264-A266 VanDerWaalsContact C-N 3.31Å; E264-A266 PolarHBondContact O-N 3.04Å; E264-R267 PolarHBondContact O-N 3.13Å; E264-R267 IonicContact OE1-CZ 3.74Å; E264-R267 IonicContact OE1-NE 3.95Å; E264-R267 PolarHBondContact OE1-NE 2.99Å; E264-R267 IonicContact OE1-NH2 3.68Å; E264-R267 PolarHBondContact OE1-NH2 3.44Å; E264-R267 WeakPolarHBondContact OE2-CD 3.5Å; E264-R267 IonicContact OE2-CZ 3.96Å; E264-R267 IonicContact OE2-NE 3.17Å; E264-R267 PolarHBondContact OE2-NE 2.95Å; E264-R267 IonicContact OE2-NH2 2.73Å; E264-L268 HydrophobicContact CG-CD1 4.23Å; E264-L268 HydrophobicContact CG-CG 4.48Å; E264-L268 VanDerWaalsContact O-CG 3.28Å; E264-L268 WeakPolarHBondContact O-CG 3.13Å; E264-L268 PolarHBondContact O-N 3.45Å
265	F	98.8	Very high	98.7	Very high	49 Å²	49	31.4 Å²	31.4	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-37.4	178	-167.8	-87.4	0	0	0	112.2	L207 L210 M261 V262 R269	L207-F265 HydrophobicContact CB-CD1 4.22Å; L207-F265 HydrophobicContact CB-CE1 4.02Å; L207-F265 HydrophobicContact CB-CZ 4.15Å; L207-F265 HydrophobicContact CD1-CD2 4.27Å; L207-F265 HydrophobicContact CD1-CE2 4.47Å; L207-F265 HydrophobicContact CD2-CB 3.75Å; L207-F265 HydrophobicContact CD2-CD1 3.87Å; L207-F265 HydrophobicContact CD2-CD2 4.3Å; L207-F265 HydrophobicContact CD2-CG 3.73Å; L207-F265 HydrophobicContact CG-CG 4.46Å; L207-F265 WeakPolarHBondContact O-CE1 3.44Å; L210-F265 HydrophobicContact CB-CD1 3.92Å; L210-F265 HydrophobicContact CB-CE1 4.06Å; L210-F265 HydrophobicContact CD1-CD1 3.94Å; M261-F265 WeakPolarHBondContact O-CB 3.25Å; M261-F265 PolarHBondContact O-N 2.84Å; V262-F265 PolarHBondContact O-N 3.48Å; F265-R269 VanDerWaalsContact CD1-NH1 3.3Å; F265-R269 VanDerWaalsContact CZ-NH1 3.32Å; F265-R269 PolarHBondContact O-NH1 3.14Å
266	A	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.2	-47.4	172.2	0	0	0	0	0	111.3	L210 V262 I263 E264 L268 R269 G270 I271 V273	L210-A266 HydrophobicContact CD1-CB 3.96Å; L210-A266 HydrophobicContact CD2-CB 3.95Å; V262-A266 VanDerWaalsContact O-CB 3.3Å; V262-A266 WeakPolarHBondContact O-CB 3.47Å; V262-A266 PolarHBondContact O-N 2.96Å; I263-A266 PolarHBondContact O-N 2.9Å; E264-A266 VanDerWaalsContact C-N 3.31Å; E264-A266 PolarHBondContact O-N 3.04Å; A266-L268 VanDerWaalsContact C-N 3.32Å; A266-L268 PolarHBondContact O-N 3.19Å; A266-R269 CarbonylContact O-C 3.57Å; A266-R269 WeakPolarHBondContact O-CA 3.25Å; A266-R269 WeakPolarHBondContact O-CB 3.43Å; A266-R269 PolarHBondContact O-N 2.74Å; A266-G270 PolarHBondContact O-N 3.47Å; A266-I271 CarbonylContact C-O 3.58Å; A266-I271 VanDerWaalsContact C-O 3.29Å; A266-I271 HydrophobicContact CB-CB 3.94Å; A266-I271 HydrophobicContact CB-CG2 4.13Å; A266-I271 WeakPolarHBondContact CB-O 3.47Å; A266-I271 PolarHBondContact O-N 2.95Å; A266-V273 HydrophobicContact CB-CG2 3.56Å
267	R	98.7	Very high	98.7	Very high	19 Å²	19	27 Å²	27	7%	0.072	14%	0.137	C	C	.	.	H	α-helix	trans	-56.5	-43.6	178.4	-168.3	-162.9	74.8	79	0.9	112.5	C124 G126 Y127 I263 E264 R269 G270	C124-R267 PolarHBondContact O-NH1 3.38Å; G126-R267 VanDerWaalsContact O-CD 3.31Å; G126-R267 WeakPolarHBondContact O-CD 3.32Å; G126-R267 PolarHBondContact O-NH1 3.3Å; G126-R267 VanDerWaalsContact O-NH1 3.11Å; Y127-R267 HydrophobicContact CD1-CB 4.09Å; Y127-R267 HydrophobicContact CD1-CG 3.65Å; Y127-R267 HydrophobicContact CE1-CB 4.09Å; Y127-R267 VanDerWaalsContact CE1-CD 3.45Å; Y127-R267 HydrophobicContact CE1-CG 3.9Å; Y127-R267 HydrophobicContact CG-CG 4.38Å; I263-R267 WeakPolarHBondContact O-CB 3.43Å; I263-R267 PolarHBondContact O-N 3.4Å; E264-R267 PolarHBondContact O-N 3.13Å; E264-R267 IonicContact OE1-CZ 3.74Å; E264-R267 IonicContact OE1-NE 3.95Å; E264-R267 PolarHBondContact OE1-NE 2.99Å; E264-R267 IonicContact OE1-NH2 3.68Å; E264-R267 PolarHBondContact OE1-NH2 3.44Å; E264-R267 WeakPolarHBondContact OE2-CD 3.5Å; E264-R267 IonicContact OE2-CZ 3.96Å; E264-R267 IonicContact OE2-NE 3.17Å; E264-R267 PolarHBondContact OE2-NE 2.95Å; E264-R267 IonicContact OE2-NH2 2.73Å; R267-R269 PolarHBondContact O-N 2.71Å; R267-G270 PolarHBondContact O-N 3.21Å
268	L	98.6	Very high	98.6	Very high	24 Å²	24	23.9 Å²	23.9	13%	0.126	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.1	176.7	-69.6	172.4	0	0	0	114.2	L78 L81 E264 A266	L78-L268 HydrophobicContact CB-CD2 4.06Å; L78-L268 HydrophobicContact CG-CD2 4.34Å; L81-L268 HydrophobicContact CD1-CD1 3.9Å; L81-L268 HydrophobicContact CD1-CD2 3.94Å; E264-L268 HydrophobicContact CG-CD1 4.23Å; E264-L268 HydrophobicContact CG-CG 4.48Å; E264-L268 VanDerWaalsContact O-CG 3.28Å; E264-L268 WeakPolarHBondContact O-CG 3.13Å; E264-L268 PolarHBondContact O-N 3.45Å; A266-L268 VanDerWaalsContact C-N 3.32Å; A266-L268 PolarHBondContact O-N 3.19Å
269	R	98.7	Very high	98.5	Very high	20 Å²	20	22.2 Å²	22.2	8%	0.075	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	8.3	175.8	-75	168.1	-174.9	74.1	2.2	113	L156 E211 A214 F265 A266 R267 I271	L156-R269 VanDerWaalsContact CD1-C 3.5Å; E211-R269 IonicContact OE1-CZ 2.71Å; E211-R269 IonicContact OE1-NE 3Å; E211-R269 PolarHBondContact OE1-NE 3.33Å; E211-R269 IonicContact OE1-NH2 3.83Å; E211-R269 PolarHBondContact OE1-NH2 2.96Å; E211-R269 IonicContact OE2-CZ 3.18Å; E211-R269 IonicContact OE2-NE 3.91Å; E211-R269 PolarHBondContact OE2-NE 3.1Å; E211-R269 IonicContact OE2-NH2 3.44Å; E211-R269 PolarHBondContact OE2-NH2 2.79Å; A214-R269 HydrophobicContact CB-CB 3.93Å; A214-R269 HydrophobicContact CB-CG 3.96Å; F265-R269 VanDerWaalsContact CD1-NH1 3.3Å; F265-R269 VanDerWaalsContact CZ-NH1 3.32Å; F265-R269 PolarHBondContact O-NH1 3.14Å; A266-R269 CarbonylContact O-C 3.57Å; A266-R269 WeakPolarHBondContact O-CA 3.25Å; A266-R269 WeakPolarHBondContact O-CB 3.43Å; A266-R269 PolarHBondContact O-N 2.74Å; R267-R269 PolarHBondContact O-N 2.71Å; R269-I271 HydrophobicContact CB-CD1 3.93Å; R269-I271 HydrophobicContact CB-CG1 4.17Å; R269-I271 PolarHBondContact O-N 3.27Å
270	G	98.6	Very high	98.3	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.031	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	25.1	-177.5	0	0	0	0	0	113.4	A266 R267	A266-G270 PolarHBondContact O-N 3.47Å; R267-G270 PolarHBondContact O-N 3.21Å
271	I	98.9	Very high	98	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	7%	0.071	C	C	.	.			trans	-103	127.1	179.7	-59.6	167.1	0	0	0	109.4	L210 M213 A214 N219 F221 A266 R269	L210-I271 HydrophobicContact CB-CD1 4.38Å; L210-I271 HydrophobicContact CD2-CB 4.48Å; L210-I271 HydrophobicContact CD2-CD1 4.05Å; L210-I271 HydrophobicContact CD2-CG2 3.87Å; L210-I271 VanDerWaalsContact O-CD1 3.25Å; L210-I271 WeakPolarHBondContact O-CD1 3.46Å; M213-I271 HydrophobicContact CB-CD1 3.74Å; M213-I271 HydrophobicContact CE-CD1 4.36Å; M213-I271 HydrophobicContact CE-CG2 3.82Å; A214-I271 HydrophobicContact CB-CD1 4.42Å; N219-I271 CarbonylContact O-C 3.56Å; N219-I271 WeakPolarHBondContact O-CA 3.19Å; F221-I271 HydrophobicContact CB-CG2 3.85Å; A266-I271 CarbonylContact C-O 3.58Å; A266-I271 VanDerWaalsContact C-O 3.29Å; A266-I271 HydrophobicContact CB-CB 3.94Å; A266-I271 HydrophobicContact CB-CG2 4.13Å; A266-I271 WeakPolarHBondContact CB-O 3.47Å; A266-I271 PolarHBondContact O-N 2.95Å; R269-I271 HydrophobicContact CB-CD1 3.93Å; R269-I271 HydrophobicContact CB-CG1 4.17Å; R269-I271 PolarHBondContact O-N 3.27Å
272	R	98.9	Very high	97.9	Very high	6 Å²	6	11.3 Å²	11.3	2%	0.023	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144.8	170.6	-65.4	167.8	59	-144.1	-8.5	109.8	P128 H189 N219 V220 F221 D334	P128-R272 HydrophobicContact CB-CG 4Å; P128-R272 HydrophobicContact CG-CG 3.78Å; P128-R272 WeakPolarHBondContact O-CG 3.29Å; H189-R272 PolarHBondContact ND1-NH1 2.71Å; N219-R272 WeakPolarHBondContact O-CB 3.43Å; N219-R272 PolarHBondContact O-N 2.79Å; V220-R272 HydrophobicContact CG2-CB 4.3Å; F221-R272 PolarHBondContact N-O 2.83Å; R272-D334 WeakPolarHBondContact CB-OD2 3.27Å; R272-D334 WeakPolarHBondContact CG-OD2 3.33Å; R272-D334 IonicContact CZ-OD1 3.82Å; R272-D334 IonicContact CZ-OD2 3Å; R272-D334 IonicContact NE-OD1 3.34Å; R272-D334 IonicContact NE-OD2 3.33Å; R272-D334 PolarHBondContact NE-OD2 3.31Å; R272-D334 IonicContact NH2-OD1 3.79Å; R272-D334 PolarHBondContact NH2-OD1 2.87Å; R272-D334 IonicContact NH2-OD2 3.48Å; R272-D334 PolarHBondContact NH2-OD2 3.18Å
273	V	98.9	Very high	97.8	Very high	9 Å²	9	11.3 Å²	11.3	6%	0.055	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	104.8	172.4	-178.2	0	0	0	0	108.2	F221 W223 I263 A266 F332 D334	F221-V273 HydrophobicContact CD1-CG1 4.05Å; F221-V273 HydrophobicContact CD1-CG2 4.22Å; F221-V273 WeakPolarHBondContact O-CA 3.2Å; W223-V273 HydrophobicContact CE3-CG1 4.13Å; I263-V273 HydrophobicContact CG1-CB 4.22Å; I263-V273 HydrophobicContact CG1-CG1 4.31Å; I263-V273 HydrophobicContact CG1-CG2 4.23Å; A266-V273 HydrophobicContact CB-CG2 3.56Å; V273-F332 HydrophobicContact CG1-CD1 4.14Å; V273-F332 HydrophobicContact CG1-CE1 4.17Å; V273-D334 WeakPolarHBondContact O-CB 3.42Å
274	V	98.8	Very high	97.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.9	176.1	177.5	0	0	0	0	107.2	V220 F221 H222 W223 H338 I392	V220-V274 HydrophobicContact CG1-CB 4.31Å; V220-V274 HydrophobicContact CG1-CG2 3.8Å; F221-V274 PolarHBondContact O-N 3.35Å; H222-V274 WeakPolarHBondContact CA-O 3.4Å; W223-V274 PolarHBondContact N-O 3.36Å; V274-H338 HydrophobicContact CG1-CB 4.27Å; V274-I392 HydrophobicContact CG1-CD1 4.04Å
275	S	98.3	Very high	97.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.2	177.6	58.7	0	0	0	0	110.9	H338	S275-H338 PolarHBondContact O-N 2.84Å
276	E	98.8	Very high	97.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130	170	-177.3	166.7	-148.8	0	0	111.6	H222 W223 H224 I225 H338 G340 W394	H222-E276 IonicContact CE1-OE2 3.61Å; H222-E276 PolarHBondContact CE1-OE2 3.13Å; H222-E276 WeakPolarHBondContact NE2-CB 3.5Å; H222-E276 IonicContact NE2-OE2 2.79Å; H222-E276 PolarHBondContact NE2-OE2 2.83Å; W223-E276 PolarHBondContact O-N 3.33Å; H224-E276 IonicContact CE1-OE2 3.47Å; H224-E276 IonicContact CG-OE2 3.32Å; H224-E276 IonicContact ND1-OE1 2.82Å; H224-E276 IonicContact ND1-OE2 2.65Å; H224-E276 PolarHBondContact ND1-OE2 3.28Å; I225-E276 VanDerWaalsContact CG2-O 3.31Å; I225-E276 WeakPolarHBondContact CG2-O 3.37Å; E276-H338 WeakPolarHBondContact CA-O 3.33Å; E276-H338 HydrophobicContact CB-CB 3.73Å; E276-H338 VanDerWaalsContact CD-ND1 3.31Å; E276-H338 HydrophobicContact CG-CB 3.9Å; E276-H338 IonicContact OE1-CE1 2.88Å; E276-H338 PolarHBondContact OE1-CE1 2.93Å; E276-H338 IonicContact OE1-CG 3.22Å; E276-H338 IonicContact OE1-ND1 2.77Å; E276-H338 PolarHBondContact OE1-ND1 3.13Å; E276-G340 WeakPolarHBondContact OE1-CA 3.42Å; E276-W394 PolarHBondContact OE1-NE1 3.08Å
277	F	98.1	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	85.9	171.6	-72	-85.7	0	0	0	108	I225 V226 Y233 T279 W286 F324 F325 I328 F332 H338	I225-F277 HydrophobicContact CG2-CD1 3.92Å; I225-F277 HydrophobicContact CG2-CD2 4.42Å; I225-F277 HydrophobicContact CG2-CE1 3.42Å; I225-F277 VanDerWaalsContact CG2-CE1 3.42Å; I225-F277 HydrophobicContact CG2-CE2 3.98Å; I225-F277 HydrophobicContact CG2-CG 4.4Å; I225-F277 HydrophobicContact CG2-CZ 3.46Å; I225-F277 VanDerWaalsContact CG2-CZ 3.46Å; V226-F277 HydrophobicContact CG1-CD1 4.47Å; V226-F277 HydrophobicContact CG1-CE1 4.26Å; V226-F277 HydrophobicContact CG2-CD1 3.63Å; V226-F277 HydrophobicContact CG2-CE1 4.23Å; V226-F277 HydrophobicContact CG2-CG 4.49Å; Y233-F277 AromaticContact CD1-CE1 3.71Å; Y233-F277 HydrophobicContact CD1-CE1 3.71Å; Y233-F277 AromaticContact CD1-CZ 3.84Å; Y233-F277 HydrophobicContact CD1-CZ 3.84Å; Y233-F277 HydrophobicContact CD2-CZ 4.15Å; Y233-F277 HydrophobicContact CE1-CE1 4.31Å; Y233-F277 HydrophobicContact CE1-CZ 4.13Å; Y233-F277 HydrophobicContact CE2-CZ 4.41Å; Y233-F277 AromaticContact CG-CE1 3.91Å; Y233-F277 HydrophobicContact CG-CE1 3.91Å; Y233-F277 AromaticContact CG-CZ 3.87Å; Y233-F277 HydrophobicContact CG-CZ 3.87Å; F277-T279 PolarHBondContact O-N 3.17Å; F277-W286 HydrophobicContact CB-CH2 3.96Å; F277-W286 HydrophobicContact CB-CZ2 4.09Å; F277-W286 HydrophobicContact CD1-CH2 4.15Å; F277-W286 HydrophobicContact CD1-CZ2 4.18Å; F277-F324 HydrophobicContact CB-CE1 4.19Å; F277-F324 AromaticContact CD1-CE1 3.58Å; F277-F324 HydrophobicContact CD1-CE1 3.58Å; F277-F324 AromaticContact CD1-CZ 3.53Å; F277-F324 HydrophobicContact CD1-CZ 3.53Å; F277-F324 HydrophobicContact CD2-CE1 4.49Å; F277-F324 HydrophobicContact CE1-CE1 4.04Å; F277-F324 AromaticContact CE1-CZ 3.56Å; F277-F324 HydrophobicContact CE1-CZ 3.56Å; F277-F324 AromaticContact CG-CE1 3.83Å; F277-F324 HydrophobicContact CG-CE1 3.83Å; F277-F324 HydrophobicContact CG-CZ 4.23Å; F277-F324 HydrophobicContact CZ-CZ 4.28Å; F277-F325 HydrophobicContact CB-CE1 4.17Å; F277-F325 HydrophobicContact CB-CZ 4.23Å; F277-I328 HydrophobicContact CD2-CD1 4.18Å; F277-I328 HydrophobicContact CD2-CG1 4Å; F277-I328 HydrophobicContact CD2-CG2 3.93Å; F277-I328 HydrophobicContact CE1-CD1 4.16Å; F277-I328 HydrophobicContact CE2-CB 4.42Å; F277-I328 HydrophobicContact CE2-CD1 3.48Å; F277-I328 VanDerWaalsContact CE2-CD1 3.48Å; F277-I328 HydrophobicContact CE2-CG1 3.76Å; F277-I328 HydrophobicContact CE2-CG2 3.72Å; F277-I328 HydrophobicContact CZ-CD1 3.46Å; F277-I328 VanDerWaalsContact CZ-CD1 3.46Å; F277-I328 HydrophobicContact CZ-CG1 4.19Å; F277-F332 HydrophobicContact CE2-CE2 4.05Å; F277-F332 HydrophobicContact CZ-CE2 4.32Å; F277-H338 PolarHBondContact N-O 2.83Å
278	D	96.6	Very high	97.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.			trans	-65.1	130	-170.8	-152.3	-47	0	0	0	112.5	H282 T283 G340 G341	D278-H282 HydrophobicContact CB-CB 4.12Å; D278-T283 VanDerWaalsContact O-CG2 3.22Å; D278-T283 WeakPolarHBondContact O-CG2 3.25Å; D278-G340 VanDerWaalsContact CG-CA 3.43Å; D278-G340 WeakPolarHBondContact OD2-CA 3.26Å; D278-G341 PolarHBondContact OD1-N 2.81Å
279	T	95.3	Very high	97.1	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	7%	0.072	C	C	.	.			trans	-150.4	150.9	171.2	70.1	0	0	0	0	110.1	F277 T283 W286 M321 L339 Y375	F277-T279 PolarHBondContact O-N 3.17Å; T279-T283 HydrophobicContact CG2-CG2 3.98Å; T279-W286 HydrophobicContact CG2-CH2 4Å; T279-W286 HydrophobicContact CG2-CZ2 4.17Å; T279-W286 HydrophobicContact CG2-CZ3 4.48Å; T279-M321 HydrophobicContact CG2-CE 3.74Å; T279-M321 HydrophobicContact CG2-SD 4.37Å; T279-L339 PolarHBondContact N-O 3.01Å; T279-Y375 WeakPolarHBondContact CB-OH 3.42Å; T279-Y375 PolarHBondContact OG1-OH 3.37Å
280	P	94.8	Very high	97	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	S	Bend	cis	-91.5	-10.3	5.1	35.4	-34.4	0	0	0	114.6	T283 P309 V310 V344 W349 Y375	P280-T283 PolarHBondContact O-OG1 3.44Å; P280-P309 HydrophobicContact CB-CB 4.4Å; P280-P309 WeakPolarHBondContact O-CA 3.27Å; P280-P309 WeakPolarHBondContact O-CB 3.31Å; P280-V310 HydrophobicContact CB-CB 3.84Å; P280-V310 HydrophobicContact CB-CG2 4.38Å; P280-V310 PolarHBondContact O-N 3.08Å; P280-V344 HydrophobicContact CG-CG1 4.11Å; P280-V344 HydrophobicContact CG-CG2 3.82Å; P280-W349 HydrophobicContact CB-CZ2 4.28Å; P280-W349 HydrophobicContact CG-CH2 4.02Å; P280-W349 HydrophobicContact CG-CZ2 4.24Å; P280-Y375 HydrophobicContact CB-CD1 3.91Å; P280-Y375 HydrophobicContact CB-CE1 3.75Å; P280-Y375 HydrophobicContact CG-CD1 3.83Å; P280-Y375 HydrophobicContact CG-CE1 4.01Å
281	G	93.3	Very high	96.8	Very high	4 Å²	4	19.7 Å²	19.7	4%	0.041	11%	0.108	C	C	.	.	S	Bend	trans	-65.2	-178.1	169.2	0	0	0	0	0	111.5	T283	G281-T283 WeakPolarHBondContact O-CB 3.15Å; G281-T283 WeakPolarHBondContact O-CG2 3.49Å; G281-T283 PolarHBondContact O-N 2.71Å; G281-T283 PolarHBondContact O-OG1 2.69Å
282	H	95.8	Very high	96.5	Very high	25 Å²	25	25.4 Å²	25.4	12%	0.116	14%	0.139	C	C	.	.	S	Bend	trans	51	33.7	165.7	-64.9	-74.9	0	0	0	116.3	D227 D228 D278 D342	D227-H282 CarbonylContact C-O 3.59Å; D227-H282 VanDerWaalsContact C-O 3.24Å; D227-H282 VanDerWaalsContact CA-O 3.24Å; D227-H282 WeakPolarHBondContact CA-O 3.32Å; D227-H282 IonicContact OD1-CG 2.71Å; D227-H282 IonicContact OD1-ND1 3.73Å; D227-H282 PolarHBondContact OD1-ND1 2.76Å; D227-H282 VanDerWaalsContact OD1-ND1 3.16Å; D227-H282 WeakPolarHBondContact OD2-CB 3.38Å; D227-H282 IonicContact OD2-CE1 2.78Å; D227-H282 IonicContact OD2-CG 3.63Å; D227-H282 IonicContact OD2-ND1 3.28Å; D227-H282 PolarHBondContact OD2-ND1 3.48Å; D228-H282 PolarHBondContact N-O 2.78Å; D228-H282 VanDerWaalsContact OD1-CA 3.24Å; D228-H282 WeakPolarHBondContact OD1-CA 3.43Å; D278-H282 HydrophobicContact CB-CB 4.12Å; H282-D342 IonicContact CD2-OD1 3.89Å; H282-D342 PolarHBondContact CD2-OD1 2.86Å; H282-D342 IonicContact CD2-OD2 3.32Å; H282-D342 IonicContact NE2-OD1 3.26Å; H282-D342 IonicContact NE2-OD2 3.27Å
283	T	97.3	Very high	96.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.139	C	C	.	.			trans	-121.4	10.7	-168.6	45.5	0	0	0	0	114.9	D228 D278 T279 P280 G281 S285 W286 V310	D228-T283 PolarHBondContact OD1-N 2.99Å; D278-T283 VanDerWaalsContact O-CG2 3.22Å; D278-T283 WeakPolarHBondContact O-CG2 3.25Å; T279-T283 HydrophobicContact CG2-CG2 3.98Å; P280-T283 PolarHBondContact O-OG1 3.44Å; G281-T283 WeakPolarHBondContact O-CB 3.15Å; G281-T283 WeakPolarHBondContact O-CG2 3.49Å; G281-T283 PolarHBondContact O-N 2.71Å; G281-T283 PolarHBondContact O-OG1 2.69Å; T283-S285 PolarHBondContact O-N 2.88Å; T283-S285 VanDerWaalsContact O-N 3.12Å; T283-W286 VanDerWaalsContact CA-CD1 3.42Å; T283-W286 HydrophobicContact CG2-CD2 4.09Å; T283-W286 HydrophobicContact CG2-CG 4.04Å; T283-W286 HydrophobicContact CG2-CZ2 4.48Å; T283-W286 VanDerWaalsContact O-CB 3.24Å; T283-W286 WeakPolarHBondContact O-CB 3.37Å; T283-W286 PolarHBondContact O-N 3Å; T283-V310 HydrophobicContact CG2-CG2 3.78Å
284	Q	97.2	Very high	96.3	Very high	69 Å²	69	25.2 Å²	25.2	32%	0.322	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.6	-176	-65.5	-76.5	73.4	0	0	113.2	D228 W286 F307 G308	D228-Q284 HydrophobicContact CB-CB 3.95Å; D228-Q284 HydrophobicContact CB-CG 4.14Å; D228-Q284 WeakPolarHBondContact OD1-CB 3.29Å; D228-Q284 WeakPolarHBondContact OD1-CG 3.35Å; D228-Q284 PolarHBondContact OD1-N 2.61Å; Q284-W286 VanDerWaalsContact C-N 3.32Å; Q284-W286 PolarHBondContact O-N 3.48Å; Q284-F307 PolarHBondContact NE2-O 2.86Å; Q284-F307 PolarHBondContact OE1-O 3.16Å; Q284-G308 PolarHBondContact OE1-O 3.02Å
285	S	98	Very high	96.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-29.2	176.5	68	0	0	0	0	113.3	D227 D228 S230 T283 K288	D227-S285 WeakPolarHBondContact O-CB 3.32Å; D227-S285 PolarHBondContact O-OG 2.98Å; D228-S285 WeakPolarHBondContact O-CB 3.15Å; D228-S285 PolarHBondContact O-N 3.03Å; D228-S285 VanDerWaalsContact O-N 3.08Å; S230-S285 VanDerWaalsContact C-CB 3.41Å; S230-S285 PolarHBondContact O-OG 3.21Å; T283-S285 PolarHBondContact O-N 2.88Å; T283-S285 VanDerWaalsContact O-N 3.12Å; S285-K288 WeakPolarHBondContact O-CB 3.4Å; S285-K288 PolarHBondContact O-N 3.2Å
286	W	98.3	Very high	96.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.2	-41.7	-177.3	-60.6	55.3	0	0	0	111.2	V226 F231 F277 T279 T283 Q284 K288 G289 Q290 L293 F320 M321 F324	V226-W286 HydrophobicContact CG2-CZ2 3.59Å; F231-W286 AromaticContact CD2-CD1 3.77Å; F231-W286 HydrophobicContact CD2-CD2 4.04Å; F231-W286 AromaticContact CD2-CG 3.88Å; F231-W286 HydrophobicContact CD2-CG 3.88Å; F231-W286 AromaticContact CD2-NE1 3.93Å; F231-W286 AromaticContact CE2-CD2 3.52Å; F231-W286 HydrophobicContact CE2-CD2 3.52Å; F231-W286 AromaticContact CE2-CE2 3.58Å; F231-W286 AromaticContact CE2-CE3 3.89Å; F231-W286 HydrophobicContact CE2-CE3 3.89Å; F231-W286 AromaticContact CE2-CG 3.88Å; F231-W286 HydrophobicContact CE2-CG 3.88Å; F231-W286 HydrophobicContact CE2-CH2 4.36Å; F231-W286 HydrophobicContact CE2-CZ2 4.04Å; F231-W286 HydrophobicContact CE2-CZ3 4.28Å; F231-W286 AromaticContact CE2-NE1 3.9Å; F277-W286 HydrophobicContact CB-CH2 3.96Å; F277-W286 HydrophobicContact CB-CZ2 4.09Å; F277-W286 HydrophobicContact CD1-CH2 4.15Å; F277-W286 HydrophobicContact CD1-CZ2 4.18Å; T279-W286 HydrophobicContact CG2-CH2 4Å; T279-W286 HydrophobicContact CG2-CZ2 4.17Å; T279-W286 HydrophobicContact CG2-CZ3 4.48Å; T283-W286 VanDerWaalsContact CA-CD1 3.42Å; T283-W286 HydrophobicContact CG2-CD2 4.09Å; T283-W286 HydrophobicContact CG2-CG 4.04Å; T283-W286 HydrophobicContact CG2-CZ2 4.48Å; T283-W286 VanDerWaalsContact O-CB 3.24Å; T283-W286 WeakPolarHBondContact O-CB 3.37Å; T283-W286 PolarHBondContact O-N 3Å; Q284-W286 VanDerWaalsContact C-N 3.32Å; Q284-W286 PolarHBondContact O-N 3.48Å; W286-K288 PolarHBondContact O-N 3.02Å; W286-K288 VanDerWaalsContact O-N 3.14Å; W286-G289 PolarHBondContact O-N 2.97Å; W286-Q290 PolarHBondContact O-N 2.91Å; W286-L293 HydrophobicContact CB-CD2 3.81Å; W286-L293 HydrophobicContact CE3-CD2 4.25Å; W286-F320 AromaticContact CE3-CE1 3.86Å; W286-F320 HydrophobicContact CE3-CE1 3.86Å; W286-F320 AromaticContact CE3-CZ 3.94Å; W286-F320 HydrophobicContact CE3-CZ 3.94Å; W286-F320 AromaticContact CZ3-CE1 3.84Å; W286-F320 HydrophobicContact CZ3-CE1 3.84Å; W286-F320 HydrophobicContact CZ3-CZ 4.05Å; W286-M321 HydrophobicContact CZ3-CE 4.49Å; W286-F324 HydrophobicContact CH2-CD1 4.14Å; W286-F324 AromaticContact CH2-CE1 3.56Å; W286-F324 HydrophobicContact CH2-CE1 3.56Å; W286-F324 HydrophobicContact CH2-CZ 4.06Å; W286-F324 AromaticContact CZ3-CD1 3.98Å; W286-F324 HydrophobicContact CZ3-CD1 3.98Å; W286-F324 AromaticContact CZ3-CE1 3.73Å; W286-F324 HydrophobicContact CZ3-CE1 3.73Å; W286-F324 HydrophobicContact CZ3-CZ 4.1Å
287	G	96.4	Very high	96	Very high	27 Å²	27	28 Å²	28	28%	0.278	16%	0.157	S	C	.	.	H	α-helix	trans	-63.2	-19.4	-179.5	0	0	0	0	0	114.3	G289	G287-G289 VanDerWaalsContact C-N 3.31Å
288	K	95.4	Very high	95.9	Very high	111 Å²	111	30.7 Å²	30.7	48%	0.483	17%	0.167	S	C	.	.	H	α-helix	trans	-67.7	-34.4	173.5	-59	-177.9	-171.7	164.3	0	111.5	K244 S285 W286	K244-K288 HydrophobicContact CB-CB 4.04Å; K244-K288 WeakPolarHBondContact CB-O 3.45Å; K244-K288 WeakPolarHBondContact CD-O 3.45Å; K244-K288 WeakPolarHBondContact O-CB 3.37Å; K244-K288 VanDerWaalsContact O-CD 3.25Å; K244-K288 WeakPolarHBondContact O-CD 3.4Å; S285-K288 WeakPolarHBondContact O-CB 3.4Å; S285-K288 PolarHBondContact O-N 3.2Å; W286-K288 PolarHBondContact O-N 3.02Å; W286-K288 VanDerWaalsContact O-N 3.14Å
289	G	93.2	Very high	95.7	Very high	7 Å²	7	34.7 Å²	34.7	7%	0.072	20%	0.195	C	C	.	.	H	α-helix	trans	-98.1	-27.6	-177.1	0	0	0	0	0	114.9	N240 W286 G287	N240-G289 VanDerWaalsContact CB-O 3.29Å; N240-G289 WeakPolarHBondContact CB-O 3.31Å; N240-G289 VanDerWaalsContact O-CA 3.23Å; N240-G289 WeakPolarHBondContact O-CA 3.41Å; W286-G289 PolarHBondContact O-N 2.97Å; G287-G289 VanDerWaalsContact C-N 3.31Å
290	Q	97.1	Very high	95.3	Very high	46 Å²	46	38.1 Å²	38.1	22%	0.215	23%	0.231	C	C	.	.	S	Bend	trans	-119.7	110	-178.5	-175.4	62.9	28.1	0	0	110.7	L241 W286 L293 F320	L241-Q290 HydrophobicContact CD2-CB 3.94Å; W286-Q290 PolarHBondContact O-N 2.91Å; Q290-L293 HydrophobicContact CB-CB 4.11Å; Q290-L293 HydrophobicContact CB-CD2 4Å; Q290-L293 HydrophobicContact CG-CB 3.8Å; Q290-L293 HydrophobicContact CG-CD2 4.09Å; Q290-L293 HydrophobicContact CG-CG 4.41Å; Q290-F320 HydrophobicContact CB-CE2 4.27Å; Q290-F320 HydrophobicContact CG-CD2 3.79Å; Q290-F320 HydrophobicContact CG-CE2 3.96Å; Q290-F320 HydrophobicContact CG-CG 4.2Å
291	T	93.5	Very high	94.8	Very high	106 Å²	106	43.5 Å²	43.5	65%	0.65	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	147.4	177.7	51.8	0	0	0	0	111.2	L293	T291-L293 PolarHBondContact O-N 3Å; T291-L293 VanDerWaalsContact O-N 3.1Å
292	D	93.2	Very high	94.6	Very high	122 Å²	122	47.3 Å²	47.3	65%	0.652	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	15.5	178.3	-51.5	-35.5	0	0	0	115.2	L314	D292-L314 HydrophobicContact CB-CD1 4.44Å; D292-L314 WeakPolarHBondContact O-CD1 3.43Å
293	L	96.6	Very high	94.4	Very high	3 Å²	3	50 Å²	50	2%	0.016	31%	0.31	C	S	.	.			trans	-79.9	-43.7	176.2	-178.3	62.9	0	0	0	112.5	W286 Q290 T291 V310 N311 T317 F320 M321	W286-L293 HydrophobicContact CB-CD2 3.81Å; W286-L293 HydrophobicContact CE3-CD2 4.25Å; Q290-L293 HydrophobicContact CB-CB 4.11Å; Q290-L293 HydrophobicContact CB-CD2 4Å; Q290-L293 HydrophobicContact CG-CB 3.8Å; Q290-L293 HydrophobicContact CG-CD2 4.09Å; Q290-L293 HydrophobicContact CG-CG 4.41Å; T291-L293 PolarHBondContact O-N 3Å; T291-L293 VanDerWaalsContact O-N 3.1Å; L293-V310 HydrophobicContact CD1-CG1 4.03Å; L293-N311 WeakPolarHBondContact O-CB 3.37Å; L293-N311 PolarHBondContact O-N 3.16Å; L293-T317 HydrophobicContact CD1-CG2 4.05Å; L293-F320 HydrophobicContact CD1-CD1 3.84Å; L293-F320 HydrophobicContact CD1-CE1 4.24Å; L293-F320 HydrophobicContact CD2-CD1 4.25Å; L293-F320 HydrophobicContact CD2-CE1 3.85Å; L293-F320 HydrophobicContact CD2-CZ 4.3Å; L293-M321 HydrophobicContact CD1-CE 4.14Å
294	L	97.1	Very high	94	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	152.2	-175.2	-57.3	-174.5	0	0	0	111.7	P296 F307 V310	L294-P296 WeakPolarHBondContact O-CD 3.2Å; L294-F307 HydrophobicContact CB-CB 3.93Å; L294-F307 HydrophobicContact CB-CD1 3.97Å; L294-F307 HydrophobicContact CB-CG 4.26Å; L294-F307 HydrophobicContact CD1-CB 4.03Å; L294-V310 HydrophobicContact CD2-CG2 4.18Å
295	T	97.3	Very high	93.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.5	177.8	-54.4	0	0	0	0	110.5	C297 F307 G308 P309 N311 C348 W349 N352 I355	T295-C297 PolarHBondContact O-N 3.32Å; T295-F307 CarbonylContact O-C 3.59Å; T295-F307 VanDerWaalsContact O-CA 3.29Å; T295-F307 WeakPolarHBondContact O-CA 3.41Å; T295-G308 PolarHBondContact O-N 3.28Å; T295-P309 WeakPolarHBondContact CB-O 3.34Å; T295-P309 PolarHBondContact N-O 3.49Å; T295-P309 PolarHBondContact OG1-O 2.91Å; T295-N311 WeakPolarHBondContact OG1-CA 3.35Å; T295-C348 PolarHBondContact O-SG 3.38Å; T295-C348 VanDerWaalsContact O-SG 3.39Å; T295-W349 VanDerWaalsContact OG1-CD1 3.27Å; T295-W349 PolarHBondContact OG1-NE1 3.44Å; T295-N352 HydrophobicContact CG2-CB 3.96Å; T295-I355 HydrophobicContact CG2-CD1 3.44Å; T295-I355 VanDerWaalsContact CG2-CD1 3.44Å
296	P	96.4	Very high	93.3	Very high	44 Å²	44	56.3 Å²	56.3	29%	0.286	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.7	167.8	-14.9	29.7	0	0	0	110.2	L294 Y298 F307 N352	L294-P296 WeakPolarHBondContact O-CD 3.2Å; P296-Y298 HydrophobicContact CB-CE2 4.45Å; P296-Y298 WeakPolarHBondContact O-CD2 3.05Å; P296-F307 HydrophobicContact CB-CE1 4.34Å; P296-F307 HydrophobicContact CG-CE1 4.2Å; P296-N352 PolarHBondContact O-ND2 3.18Å
297	C	95.6	Very high	93.1	Very high	15 Å²	15	61.4 Å²	61.4	10%	0.101	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	156.1	176.3	-45.4	0	0	0	0	111.1	T295 P303 S304 T306 G308 C348	T295-C297 PolarHBondContact O-N 3.32Å; C297-P303 CarbonylContact O-C 3.59Å; C297-P303 WeakPolarHBondContact O-CA 3.32Å; C297-S304 WeakPolarHBondContact CB-OG 3.26Å; C297-S304 PolarHBondContact O-N 3.13Å; C297-S304 PolarHBondContact O-OG 2.93Å; C297-S304 VanDerWaalsContact O-OG 3.13Å; C297-T306 PolarHBondContact N-O 3.22Å; C297-G308 PolarHBondContact SG-N 2.85Å; C297-G308 VanDerWaalsContact SG-N 3.43Å; C297-C348 WeakPolarHBondContact CA-SG 3.45Å; C297-C348 HydrophobicContact CB-CB 4.1Å; C297-C348 WeakPolarHBondContact CB-SG 3.41Å; C297-C348 PolarHBondContact N-SG 3.39Å; C297-C348 WeakPolarHBondContact SG-CB 3.3Å; C297-C348 CovalentContact SG-SG 2.04Å; C297-C348 PolarHBondContact SG-SG 2.88Å
298	Y	95.8	Very high	93.1	Very high	55 Å²	55	60.6 Å²	60.6	22%	0.216	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.8	-178.4	-78.2	-112.3	0	0	0	111	P296 T302 P303 S351 N352 P353	P296-Y298 HydrophobicContact CB-CE2 4.45Å; P296-Y298 WeakPolarHBondContact O-CD2 3.05Å; Y298-T302 WeakPolarHBondContact CA-O 3.32Å; Y298-P303 HydrophobicContact CD1-CG 4.5Å; Y298-P303 HydrophobicContact CE1-CG 3.92Å; Y298-S351 WeakPolarHBondContact CB-O 3.37Å; Y298-S351 PolarHBondContact N-OG 3.27Å; Y298-S351 VanDerWaalsContact O-CB 3.29Å; Y298-S351 WeakPolarHBondContact O-CB 3.31Å; Y298-N352 HydrophobicContact CD2-CB 4.28Å; Y298-P353 HydrophobicContact CD1-CG 4.12Å; Y298-P353 HydrophobicContact CE1-CG 4.06Å
299	S	91.7	Very high	93.1	Very high	85 Å²	85	55.9 Å²	55.9	59%	0.594	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	100.6	166.1	-173.5	0	0	0	0	107.6	S301 T302	S299-S301 PolarHBondContact O-N 3.29Å; S299-T302 PolarHBondContact N-O 3.11Å; S299-T302 PolarHBondContact O-N 3.04Å; S299-T302 PolarHBondContact O-OG1 3.45Å
300	G	87.8	Confident	93.3	Very high	73 Å²	73	55.6 Å²	55.6	75%	0.753	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-125	-168.4	0	0	0	0	0	111.4
301	S	85.1	Confident	93.2	Very high	112 Å²	112	53.9 Å²	53.9	78%	0.783	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.4	-179.1	54.4	0	0	0	0	114.3	S299	S299-S301 PolarHBondContact O-N 3.29Å
302	T	88.8	Confident	93.3	Very high	84 Å²	84	48.9 Å²	48.9	52%	0.515	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.2	-175.2	52.8	0	0	0	0	111.9	Y298 S299 S304	Y298-T302 WeakPolarHBondContact CA-O 3.32Å; S299-T302 PolarHBondContact N-O 3.11Å; S299-T302 PolarHBondContact O-N 3.04Å; S299-T302 PolarHBondContact O-OG1 3.45Å; T302-S304 PolarHBondContact O-N 3Å
303	P	90.6	Very high	93.4	Very high	81 Å²	81	44.9 Å²	44.9	53%	0.526	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	133.3	171.4	-23.7	33.6	0	0	0	111.2	C297 Y298 G305	C297-P303 CarbonylContact O-C 3.59Å; C297-P303 WeakPolarHBondContact O-CA 3.32Å; Y298-P303 HydrophobicContact CD1-CG 4.5Å; Y298-P303 HydrophobicContact CE1-CG 3.92Å; P303-G305 VanDerWaalsContact C-N 3.26Å; P303-G305 PolarHBondContact O-N 3.26Å
304	S	89.2	Confident	93.3	Very high	52 Å²	52	47.5 Å²	47.5	36%	0.364	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-14.2	-179	61.4	0	0	0	0	113.4	C297 T302 T306	C297-S304 WeakPolarHBondContact CB-OG 3.26Å; C297-S304 PolarHBondContact O-N 3.13Å; C297-S304 PolarHBondContact O-OG 2.93Å; C297-S304 VanDerWaalsContact O-OG 3.13Å; T302-S304 PolarHBondContact O-N 3Å; S304-T306 PolarHBondContact OG-N 2.82Å; S304-T306 PolarHBondContact OG-OG1 3.16Å
305	G	88.2	Confident	93.1	Very high	68 Å²	68	52.8 Å²	52.8	70%	0.701	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	80.6	1.2	-170	0	0	0	0	0	113.9	P303	P303-G305 VanDerWaalsContact C-N 3.26Å; P303-G305 PolarHBondContact O-N 3.26Å
306	T	92	Very high	93	Very high	83 Å²	83	55.2 Å²	55.2	51%	0.509	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	156.9	174	64.6	0	0	0	0	110.7	C297 S304	C297-T306 PolarHBondContact N-O 3.22Å; S304-T306 PolarHBondContact OG-N 2.82Å; S304-T306 PolarHBondContact OG-OG1 3.16Å
307	F	95	Very high	92.9	Very high	107 Å²	107	53.2 Å²	53.2	47%	0.469	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	154.2	175.4	-63.9	-88.6	0	0	0	110.1	Q284 L294 T295 P296	Q284-F307 PolarHBondContact NE2-O 2.86Å; Q284-F307 PolarHBondContact OE1-O 3.16Å; L294-F307 HydrophobicContact CB-CB 3.93Å; L294-F307 HydrophobicContact CB-CD1 3.97Å; L294-F307 HydrophobicContact CB-CG 4.26Å; L294-F307 HydrophobicContact CD1-CB 4.03Å; T295-F307 CarbonylContact O-C 3.59Å; T295-F307 VanDerWaalsContact O-CA 3.29Å; T295-F307 WeakPolarHBondContact O-CA 3.41Å; P296-F307 HydrophobicContact CB-CE1 4.34Å; P296-F307 HydrophobicContact CG-CE1 4.2Å
308	G	94.9	Very high	92.9	Very high	11 Å²	11	53.3 Å²	53.3	11%	0.113	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-151.1	172.7	0	0	0	0	0	110.9	Q284 T295 C297 C348	Q284-G308 PolarHBondContact OE1-O 3.02Å; T295-G308 PolarHBondContact O-N 3.28Å; C297-G308 PolarHBondContact SG-N 2.85Å; C297-G308 VanDerWaalsContact SG-N 3.43Å; G308-C348 PolarHBondContact N-SG 2.81Å; G308-C348 VanDerWaalsContact N-SG 3.42Å
309	P	96.5	Very high	92.8	Very high	12 Å²	12	56.5 Å²	56.5	8%	0.078	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	162.8	-177.3	-25.6	34.7	0	0	0	113.5	P280 T295 N311 V344 S345 W349	P280-P309 HydrophobicContact CB-CB 4.4Å; P280-P309 WeakPolarHBondContact O-CA 3.27Å; P280-P309 WeakPolarHBondContact O-CB 3.31Å; T295-P309 WeakPolarHBondContact CB-O 3.34Å; T295-P309 PolarHBondContact N-O 3.49Å; T295-P309 PolarHBondContact OG1-O 2.91Å; P309-N311 PolarHBondContact O-N 2.96Å; P309-V344 HydrophobicContact CB-CG1 4.21Å; P309-V344 HydrophobicContact CG-CG1 3.95Å; P309-S345 WeakPolarHBondContact CG-O 3.31Å; P309-W349 HydrophobicContact CB-CZ2 3.79Å
310	V	96.8	Very high	93	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-43.9	135.1	171.2	173.5	0	0	0	0	110.2	P280 T283 L293 L294 P312 T317 M321 W349 Y375	P280-V310 HydrophobicContact CB-CB 3.84Å; P280-V310 HydrophobicContact CB-CG2 4.38Å; P280-V310 PolarHBondContact O-N 3.08Å; T283-V310 HydrophobicContact CG2-CG2 3.78Å; L293-V310 HydrophobicContact CD1-CG1 4.03Å; L294-V310 HydrophobicContact CD2-CG2 4.18Å; V310-P312 WeakPolarHBondContact O-CD 3.5Å; V310-T317 HydrophobicContact CG1-CG2 3.37Å; V310-M321 HydrophobicContact CG1-CE 4.17Å; V310-M321 HydrophobicContact CG2-CE 4.15Å; V310-W349 PolarHBondContact O-NE1 3.15Å; V310-Y375 HydrophobicContact CG1-CE2 3.93Å
311	N	96.4	Very high	93.3	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.059	30%	0.299	C	S	.	.			trans	-79.1	109.9	-179	-172.5	-20.2	0	0	0	110.3	L293 T295 P309 I313 L314 T317	L293-N311 WeakPolarHBondContact O-CB 3.37Å; L293-N311 PolarHBondContact O-N 3.16Å; T295-N311 WeakPolarHBondContact OG1-CA 3.35Å; P309-N311 PolarHBondContact O-N 2.96Å; N311-I313 VanDerWaalsContact C-N 3.32Å; N311-I313 PolarHBondContact O-N 2.92Å; N311-I313 WeakPolarHBondContact OD1-CG1 3.45Å; N311-I313 PolarHBondContact OD1-N 3.36Å; N311-I313 VanDerWaalsContact OD1-N 3.12Å; N311-L314 HydrophobicContact CB-CD1 4.31Å; N311-T317 WeakPolarHBondContact O-CB 3.04Å; N311-T317 WeakPolarHBondContact O-CG2 3.44Å; N311-T317 PolarHBondContact O-OG1 3.45Å
312	P	94.9	Very high	93.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.4	-172.9	36.9	-34.8	0	0	0	113	V310 Y318 W349 L371 Y375	V310-P312 WeakPolarHBondContact O-CD 3.5Å; P312-Y318 WeakPolarHBondContact O-CE2 3.16Å; P312-Y318 PolarHBondContact O-OH 2.61Å; P312-W349 HydrophobicContact CG-CZ2 4.11Å; P312-L371 HydrophobicContact CB-CD1 4.49Å; P312-L371 HydrophobicContact CG-CD1 3.82Å; P312-L371 HydrophobicContact CG-CD2 3.82Å; P312-L371 HydrophobicContact CG-CG 3.67Å; P312-Y375 HydrophobicContact CB-CD2 4.01Å; P312-Y375 HydrophobicContact CB-CG 4.29Å
313	I	95.1	Very high	94.1	Very high	39 Å²	39	48.2 Å²	48.2	20%	0.2	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.4	-175.9	71	154.4	0	0	0	113.2	N311 D354 I355 F358 L371	N311-I313 VanDerWaalsContact C-N 3.32Å; N311-I313 PolarHBondContact O-N 2.92Å; N311-I313 WeakPolarHBondContact OD1-CG1 3.45Å; N311-I313 PolarHBondContact OD1-N 3.36Å; N311-I313 VanDerWaalsContact OD1-N 3.12Å; I313-D354 HydrophobicContact CD1-CB 3.89Å; I313-I355 HydrophobicContact CD1-CG1 4.2Å; I313-I355 HydrophobicContact CG1-CG1 4.26Å; I313-I355 HydrophobicContact CG2-CG1 4.16Å; I313-F358 HydrophobicContact CB-CB 4.32Å; I313-F358 HydrophobicContact CB-CD1 4.42Å; I313-F358 HydrophobicContact CB-CD2 4.06Å; I313-F358 HydrophobicContact CB-CE2 4.47Å; I313-F358 HydrophobicContact CB-CG 4.02Å; I313-F358 HydrophobicContact CD1-CB 4.48Å; I313-F358 HydrophobicContact CG2-CB 3.7Å; I313-F358 HydrophobicContact CG2-CD1 3.44Å; I313-F358 VanDerWaalsContact CG2-CD1 3.44Å; I313-F358 HydrophobicContact CG2-CD2 3.95Å; I313-F358 HydrophobicContact CG2-CE1 3.98Å; I313-F358 HydrophobicContact CG2-CE2 4.43Å; I313-F358 HydrophobicContact CG2-CG 3.41Å; I313-F358 VanDerWaalsContact CG2-CG 3.41Å; I313-F358 HydrophobicContact CG2-CZ 4.44Å; I313-L371 HydrophobicContact CG2-CD1 4.46Å
314	L	94.8	Very high	94.4	Very high	57 Å²	57	44.4 Å²	44.4	30%	0.298	26%	0.256	S	S	.	.			trans	-102	133.5	-176.1	-57.8	-179.9	0	0	0	111.5	D292 N311 S316 T317 Y318	D292-L314 HydrophobicContact CB-CD1 4.44Å; D292-L314 WeakPolarHBondContact O-CD1 3.43Å; N311-L314 HydrophobicContact CB-CD1 4.31Å; L314-S316 VanDerWaalsContact C-N 3.27Å; L314-S316 PolarHBondContact O-N 2.9Å; L314-T317 VanDerWaalsContact O-CB 3.31Å; L314-T317 WeakPolarHBondContact O-CB 3.21Å; L314-T317 PolarHBondContact O-N 2.91Å; L314-Y318 WeakPolarHBondContact O-CD2 3.46Å
315	N	92.7	Very high	94.8	Very high	119 Å²	119	41.9 Å²	41.9	64%	0.636	24%	0.239	S	C	*	.	H	α-helix	trans	-65.1	-33.3	174.8	-71.9	-10.4	0	0	0	112.3	T317 Y318 E319	N315-T317 PolarHBondContact O-N 3.25Å; N315-Y318 PolarHBondContact O-N 2.82Å; N315-E319 PolarHBondContact O-N 2.92Å
316	S	95.2	Very high	95.1	Very high	52 Å²	52	44.5 Å²	44.5	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-58.1	-33.4	176.7	50	0	0	0	0	112.5	L314 Y318 E319 F320	L314-S316 VanDerWaalsContact C-N 3.27Å; L314-S316 PolarHBondContact O-N 2.9Å; S316-Y318 VanDerWaalsContact C-N 3.32Å; S316-Y318 PolarHBondContact O-N 2.9Å; S316-E319 PolarHBondContact O-N 3.15Å; S316-F320 WeakPolarHBondContact O-CB 3.44Å; S316-F320 PolarHBondContact O-N 3.31Å
317	T	95	Very high	95.4	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-56.6	-48.1	172.8	-61.6	0	0	0	0	110.7	L293 V310 N311 L314 N315 F320 M321 Y375	L293-T317 HydrophobicContact CD1-CG2 4.05Å; V310-T317 HydrophobicContact CG1-CG2 3.37Å; N311-T317 WeakPolarHBondContact O-CB 3.04Å; N311-T317 WeakPolarHBondContact O-CG2 3.44Å; N311-T317 PolarHBondContact O-OG1 3.45Å; L314-T317 VanDerWaalsContact O-CB 3.31Å; L314-T317 WeakPolarHBondContact O-CB 3.21Å; L314-T317 PolarHBondContact O-N 2.91Å; N315-T317 PolarHBondContact O-N 3.25Å; T317-F320 WeakPolarHBondContact O-CB 3.38Å; T317-F320 PolarHBondContact O-N 3.3Å; T317-M321 VanDerWaalsContact O-CG 3.3Å; T317-M321 WeakPolarHBondContact O-CG 3.3Å; T317-M321 PolarHBondContact O-N 3.21Å; T317-Y375 HydrophobicContact CG2-CE2 4.23Å
318	Y	93.8	Very high	95.5	Very high	18 Å²	18	36 Å²	36	7%	0.071	19%	0.187	C	C	.	.	H	α-helix	trans	-76	-32.6	-176.2	-57.2	-60.5	0	0	0	112.9	P312 L314 N315 S316 F320 M321 T322 Y375 R379	P312-Y318 WeakPolarHBondContact O-CE2 3.16Å; P312-Y318 PolarHBondContact O-OH 2.61Å; L314-Y318 WeakPolarHBondContact O-CD2 3.46Å; N315-Y318 PolarHBondContact O-N 2.82Å; S316-Y318 VanDerWaalsContact C-N 3.32Å; S316-Y318 PolarHBondContact O-N 2.9Å; Y318-F320 VanDerWaalsContact C-N 3.32Å; Y318-M321 PolarHBondContact O-N 3.45Å; Y318-T322 WeakPolarHBondContact O-CB 3.25Å; Y318-T322 PolarHBondContact O-N 3.24Å; Y318-T322 PolarHBondContact O-OG1 3Å; Y318-Y375 AromaticContact CE1-CD2 3.73Å; Y318-Y375 HydrophobicContact CE1-CD2 3.73Å; Y318-Y375 HydrophobicContact CE1-CE2 4.03Å; Y318-R379 HydrophobicContact CD1-CB 3.39Å; Y318-R379 HydrophobicContact CD1-CG 3.8Å; Y318-R379 HydrophobicContact CD2-CG 4.27Å; Y318-R379 HydrophobicContact CE1-CB 3.19Å; Y318-R379 HydrophobicContact CE1-CG 3.43Å; Y318-R379 VanDerWaalsContact CE1-CG 3.43Å; Y318-R379 HydrophobicContact CE2-CG 3.94Å; Y318-R379 HydrophobicContact CG-CB 4.16Å; Y318-R379 HydrophobicContact CG-CG 4.18Å; Y318-R379 VanDerWaalsContact CZ-CG 3.48Å
319	E	93.9	Very high	95.6	Very high	122 Å²	122	36.4 Å²	36.4	57%	0.57	19%	0.188	S	C	*	.	H	α-helix	trans	-63.6	-39.6	171	-70.2	173.5	-173.3	0	0	111.7	N315 S316 Q323	N315-E319 PolarHBondContact O-N 2.92Å; S316-E319 PolarHBondContact O-N 3.15Å; E319-Q323 PolarHBondContact O-N 3.17Å; E319-Q323 PolarHBondContact O-NE2 2.67Å
320	F	95.9	Very high	95.6	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.022	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-54.5	172	167.6	-96.5	0	0	0	111.1	F238 L241 W286 Q290 L293 S316 T317 Y318 T322 Q323 F324	F238-F320 HydrophobicContact CB-CE2 4.41Å; F238-F320 AromaticContact CD1-CD2 3.97Å; F238-F320 HydrophobicContact CD1-CD2 3.97Å; F238-F320 AromaticContact CD1-CE2 3.93Å; F238-F320 HydrophobicContact CD1-CE2 3.93Å; F238-F320 HydrophobicContact CD2-CD2 4.15Å; F238-F320 AromaticContact CD2-CE2 3.75Å; F238-F320 HydrophobicContact CD2-CE2 3.75Å; F238-F320 AromaticContact CE1-CD2 3.67Å; F238-F320 HydrophobicContact CE1-CD2 3.67Å; F238-F320 HydrophobicContact CE1-CE2 4.09Å; F238-F320 AromaticContact CE2-CD2 3.86Å; F238-F320 HydrophobicContact CE2-CD2 3.86Å; F238-F320 AromaticContact CE2-CE2 3.91Å; F238-F320 HydrophobicContact CE2-CE2 3.91Å; F238-F320 HydrophobicContact CG-CD2 4.21Å; F238-F320 AromaticContact CG-CE2 3.76Å; F238-F320 HydrophobicContact CG-CE2 3.76Å; F238-F320 AromaticContact CZ-CD2 3.61Å; F238-F320 HydrophobicContact CZ-CD2 3.61Å; F238-F320 HydrophobicContact CZ-CE2 4.08Å; L241-F320 HydrophobicContact CD1-CE2 4.05Å; L241-F320 HydrophobicContact CD1-CZ 3.9Å; L241-F320 HydrophobicContact CD2-CE2 4.38Å; L241-F320 HydrophobicContact CD2-CZ 4.22Å; W286-F320 AromaticContact CE3-CE1 3.86Å; W286-F320 HydrophobicContact CE3-CE1 3.86Å; W286-F320 AromaticContact CE3-CZ 3.94Å; W286-F320 HydrophobicContact CE3-CZ 3.94Å; W286-F320 AromaticContact CZ3-CE1 3.84Å; W286-F320 HydrophobicContact CZ3-CE1 3.84Å; W286-F320 HydrophobicContact CZ3-CZ 4.05Å; Q290-F320 HydrophobicContact CB-CE2 4.27Å; Q290-F320 HydrophobicContact CG-CD2 3.79Å; Q290-F320 HydrophobicContact CG-CE2 3.96Å; Q290-F320 HydrophobicContact CG-CG 4.2Å; L293-F320 HydrophobicContact CD1-CD1 3.84Å; L293-F320 HydrophobicContact CD1-CE1 4.24Å; L293-F320 HydrophobicContact CD2-CD1 4.25Å; L293-F320 HydrophobicContact CD2-CE1 3.85Å; L293-F320 HydrophobicContact CD2-CZ 4.3Å; S316-F320 WeakPolarHBondContact O-CB 3.44Å; S316-F320 PolarHBondContact O-N 3.31Å; T317-F320 WeakPolarHBondContact O-CB 3.38Å; T317-F320 PolarHBondContact O-N 3.3Å; Y318-F320 VanDerWaalsContact C-N 3.32Å; F320-T322 VanDerWaalsContact C-N 3.26Å; F320-T322 PolarHBondContact O-N 3.03Å; F320-Q323 PolarHBondContact O-N 3.42Å; F320-Q323 VanDerWaalsContact O-N 3.14Å; F320-F324 HydrophobicContact CE1-CB 4.42Å; F320-F324 HydrophobicContact CZ-CB 4.31Å; F320-F324 HydrophobicContact CZ-CD2 4.26Å; F320-F324 HydrophobicContact CZ-CG 4.26Å; F320-F324 WeakPolarHBondContact O-CB 3.38Å; F320-F324 PolarHBondContact O-N 2.87Å
321	M	95.5	Very high	95.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-38.5	-179.4	-68.4	-55.4	174.9	0	0	112	T279 W286 L293 V310 T317 Y318 Q323 F324 F325 Y375 L380 I383	T279-M321 HydrophobicContact CG2-CE 3.74Å; T279-M321 HydrophobicContact CG2-SD 4.37Å; W286-M321 HydrophobicContact CZ3-CE 4.49Å; L293-M321 HydrophobicContact CD1-CE 4.14Å; V310-M321 HydrophobicContact CG1-CE 4.17Å; V310-M321 HydrophobicContact CG2-CE 4.15Å; T317-M321 VanDerWaalsContact O-CG 3.3Å; T317-M321 WeakPolarHBondContact O-CG 3.3Å; T317-M321 PolarHBondContact O-N 3.21Å; Y318-M321 PolarHBondContact O-N 3.45Å; M321-Q323 PolarHBondContact O-N 2.81Å; M321-F324 PolarHBondContact O-N 3.41Å; M321-F325 HydrophobicContact CB-CD2 4.27Å; M321-F325 WeakPolarHBondContact O-CB 3.38Å; M321-F325 WeakPolarHBondContact O-CD2 3.46Å; M321-F325 PolarHBondContact O-N 2.72Å; M321-F325 HydrophobicContact SD-CD2 4.35Å; M321-F325 HydrophobicContact SD-CE2 3.83Å; M321-Y375 WeakPolarHBondContact CE-OH 3.42Å; M321-L380 HydrophobicContact CB-CD1 4.46Å; M321-I383 HydrophobicContact CB-CD1 4.09Å
322	T	94.8	Very high	95.7	Very high	69 Å²	69	44.2 Å²	44.2	42%	0.423	23%	0.226	S	C	.	.	H	α-helix	trans	-59.9	-48	176.7	-58.3	0	0	0	0	112.1	Y318 F320 K326 I383	Y318-T322 WeakPolarHBondContact O-CB 3.25Å; Y318-T322 PolarHBondContact O-N 3.24Å; Y318-T322 PolarHBondContact O-OG1 3Å; F320-T322 VanDerWaalsContact C-N 3.26Å; F320-T322 PolarHBondContact O-N 3.03Å; T322-K326 VanDerWaalsContact O-CB 3.28Å; T322-K326 WeakPolarHBondContact O-CB 3.28Å; T322-K326 PolarHBondContact O-N 3.11Å; T322-I383 WeakPolarHBondContact OG1-CD1 3.12Å; T322-I383 WeakPolarHBondContact OG1-CG1 3.35Å
323	Q	95.9	Very high	95.8	Very high	106 Å²	106	46.4 Å²	46.4	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-71.4	-38.5	179.8	-71.8	176.1	71.8	0	0	111.7	F238 E319 F320 M321 E327	F238-Q323 HydrophobicContact CE2-CB 3.84Å; F238-Q323 HydrophobicContact CZ-CB 3.77Å; E319-Q323 PolarHBondContact O-N 3.17Å; E319-Q323 PolarHBondContact O-NE2 2.67Å; F320-Q323 PolarHBondContact O-N 3.42Å; F320-Q323 VanDerWaalsContact O-N 3.14Å; M321-Q323 PolarHBondContact O-N 2.81Å; Q323-E327 PolarHBondContact O-N 2.84Å
324	F	96.9	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-54.6	-179.1	-174.3	-102.5	0	0	0	111.3	F231 Y233 F238 L241 F277 W286 F320 M321 K326 E327 I328	F231-F324 HydrophobicContact CZ-CE2 4.01Å; F231-F324 AromaticContact CZ-CZ 3.89Å; F231-F324 HydrophobicContact CZ-CZ 3.89Å; Y233-F324 HydrophobicContact CD1-CE2 4.31Å; Y233-F324 HydrophobicContact CD1-CZ 4.27Å; Y233-F324 HydrophobicContact CE1-CE2 4.11Å; Y233-F324 HydrophobicContact CE1-CZ 4.27Å; F238-F324 HydrophobicContact CD2-CB 4.36Å; F238-F324 HydrophobicContact CD2-CD2 4.02Å; F238-F324 HydrophobicContact CE2-CB 4.05Å; L241-F324 HydrophobicContact CD1-CD2 4.03Å; L241-F324 HydrophobicContact CD1-CE2 3.76Å; F277-F324 HydrophobicContact CB-CE1 4.19Å; F277-F324 AromaticContact CD1-CE1 3.58Å; F277-F324 HydrophobicContact CD1-CE1 3.58Å; F277-F324 AromaticContact CD1-CZ 3.53Å; F277-F324 HydrophobicContact CD1-CZ 3.53Å; F277-F324 HydrophobicContact CD2-CE1 4.49Å; F277-F324 HydrophobicContact CE1-CE1 4.04Å; F277-F324 AromaticContact CE1-CZ 3.56Å; F277-F324 HydrophobicContact CE1-CZ 3.56Å; F277-F324 AromaticContact CG-CE1 3.83Å; F277-F324 HydrophobicContact CG-CE1 3.83Å; F277-F324 HydrophobicContact CG-CZ 4.23Å; F277-F324 HydrophobicContact CZ-CZ 4.28Å; W286-F324 HydrophobicContact CH2-CD1 4.14Å; W286-F324 AromaticContact CH2-CE1 3.56Å; W286-F324 HydrophobicContact CH2-CE1 3.56Å; W286-F324 HydrophobicContact CH2-CZ 4.06Å; W286-F324 AromaticContact CZ3-CD1 3.98Å; W286-F324 HydrophobicContact CZ3-CD1 3.98Å; W286-F324 AromaticContact CZ3-CE1 3.73Å; W286-F324 HydrophobicContact CZ3-CE1 3.73Å; W286-F324 HydrophobicContact CZ3-CZ 4.1Å; F320-F324 HydrophobicContact CE1-CB 4.42Å; F320-F324 HydrophobicContact CZ-CB 4.31Å; F320-F324 HydrophobicContact CZ-CD2 4.26Å; F320-F324 HydrophobicContact CZ-CG 4.26Å; F320-F324 WeakPolarHBondContact O-CB 3.38Å; F320-F324 PolarHBondContact O-N 2.87Å; M321-F324 PolarHBondContact O-N 3.41Å; F324-K326 VanDerWaalsContact C-N 3.25Å; F324-K326 PolarHBondContact O-N 3.13Å; F324-E327 WeakPolarHBondContact O-CA 3.25Å; F324-E327 WeakPolarHBondContact O-CB 3.07Å; F324-E327 PolarHBondContact O-N 3.23Å; F324-I328 HydrophobicContact CD1-CG1 4.09Å; F324-I328 HydrophobicContact CE1-CD1 4.06Å; F324-I328 HydrophobicContact CE1-CG1 3.79Å; F324-I328 HydrophobicContact CE2-CD1 4.34Å; F324-I328 HydrophobicContact CZ-CD1 3.9Å; F324-I328 HydrophobicContact CZ-CG1 4.16Å; F324-I328 WeakPolarHBondContact O-CG1 3.4Å; F324-I328 PolarHBondContact O-N 3.33Å
325	F	95.8	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-24.5	-180	-78.4	-72.4	0	0	0	113.4	F277 M321 I328 S329 I337 L339 L380 I383 V384	F277-F325 HydrophobicContact CB-CE1 4.17Å; F277-F325 HydrophobicContact CB-CZ 4.23Å; M321-F325 HydrophobicContact CB-CD2 4.27Å; M321-F325 WeakPolarHBondContact O-CB 3.38Å; M321-F325 WeakPolarHBondContact O-CD2 3.46Å; M321-F325 PolarHBondContact O-N 2.72Å; M321-F325 HydrophobicContact SD-CD2 4.35Å; M321-F325 HydrophobicContact SD-CE2 3.83Å; F325-I328 HydrophobicContact CD1-CB 4.47Å; F325-I328 PolarHBondContact O-N 2.96Å; F325-S329 WeakPolarHBondContact O-CB 3.5Å; F325-S329 PolarHBondContact O-N 2.86Å; F325-S329 PolarHBondContact O-OG 3.27Å; F325-I337 HydrophobicContact CE1-CG2 4.28Å; F325-L339 HydrophobicContact CD1-CD2 4.27Å; F325-L339 HydrophobicContact CE1-CD2 3.65Å; F325-L339 HydrophobicContact CZ-CD2 4Å; F325-L380 HydrophobicContact CD2-CD1 3.92Å; F325-L380 HydrophobicContact CE2-CD1 3.56Å; F325-L380 HydrophobicContact CZ-CD1 4.31Å; F325-I383 HydrophobicContact CB-CG2 4.36Å; F325-V384 HydrophobicContact CB-CG2 4.46Å; F325-V384 HydrophobicContact CD1-CG2 4.36Å; F325-V384 HydrophobicContact CG-CG2 4.22Å
326	K	96	Very high	96.1	Very high	122 Å²	122	41.9 Å²	41.9	53%	0.53	22%	0.22	S	C	.	.	H	α-helix	trans	-60.5	-48.5	167	-176.7	-178.1	176.1	-173.7	0	111.1	T322 F324 I328 S329 E330	T322-K326 VanDerWaalsContact O-CB 3.28Å; T322-K326 WeakPolarHBondContact O-CB 3.28Å; T322-K326 PolarHBondContact O-N 3.11Å; F324-K326 VanDerWaalsContact C-N 3.25Å; F324-K326 PolarHBondContact O-N 3.13Å; K326-I328 PolarHBondContact O-N 2.81Å; K326-S329 PolarHBondContact O-N 2.91Å; K326-S329 PolarHBondContact O-OG 3.47Å; K326-E330 VanDerWaalsContact CE-OE1 3.25Å; K326-E330 WeakPolarHBondContact CE-OE1 3.17Å; K326-E330 WeakPolarHBondContact O-CG 3.48Å; K326-E330 PolarHBondContact O-N 3.21Å
327	E	97.3	Very high	96.2	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-47.8	174.6	-179.8	-176.8	95.4	0	0	111.1	Y233 S235 R236 T237 Q323 F324 S329 E330 V331	Y233-E327 WeakPolarHBondContact CE1-OE1 3.37Å; Y233-E327 PolarHBondContact OH-OE1 2.81Å; S235-E327 WeakPolarHBondContact CA-OE1 3.28Å; S235-E327 VanDerWaalsContact CB-OE1 3.27Å; S235-E327 WeakPolarHBondContact CB-OE1 3.31Å; S235-E327 PolarHBondContact OG-OE1 2.97Å; S235-E327 PolarHBondContact OG-OE2 2.84Å; R236-E327 WeakPolarHBondContact CA-OE2 3.14Å; R236-E327 WeakPolarHBondContact CB-OE2 3.28Å; R236-E327 PolarHBondContact N-OE1 2.95Å; R236-E327 PolarHBondContact N-OE2 3.15Å; T237-E327 HydrophobicContact CG2-CB 4.31Å; T237-E327 WeakPolarHBondContact CG2-OE2 3.01Å; T237-E327 PolarHBondContact N-OE2 2.96Å; T237-E327 PolarHBondContact OG1-OE2 3.18Å; Q323-E327 PolarHBondContact O-N 2.84Å; F324-E327 WeakPolarHBondContact O-CA 3.25Å; F324-E327 WeakPolarHBondContact O-CB 3.07Å; F324-E327 PolarHBondContact O-N 3.23Å; E327-S329 VanDerWaalsContact C-N 3.27Å; E327-S329 PolarHBondContact O-N 3.41Å; E327-E330 PolarHBondContact O-N 2.99Å; E327-V331 HydrophobicContact CG-CG2 4.03Å; E327-V331 WeakPolarHBondContact O-CG2 3.38Å; E327-V331 PolarHBondContact O-N 2.9Å
328	I	97.5	Very high	96.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-42.5	179.8	-58.4	-43.2	0	0	0	111.1	Y233 F277 F324 F325 K326 E330 V331 F332 I337	Y233-I328 HydrophobicContact CD1-CD1 4.47Å; Y233-I328 HydrophobicContact CE1-CD1 3.63Å; F277-I328 HydrophobicContact CD2-CD1 4.18Å; F277-I328 HydrophobicContact CD2-CG1 4Å; F277-I328 HydrophobicContact CD2-CG2 3.93Å; F277-I328 HydrophobicContact CE1-CD1 4.16Å; F277-I328 HydrophobicContact CE2-CB 4.42Å; F277-I328 HydrophobicContact CE2-CD1 3.48Å; F277-I328 VanDerWaalsContact CE2-CD1 3.48Å; F277-I328 HydrophobicContact CE2-CG1 3.76Å; F277-I328 HydrophobicContact CE2-CG2 3.72Å; F277-I328 HydrophobicContact CZ-CD1 3.46Å; F277-I328 VanDerWaalsContact CZ-CD1 3.46Å; F277-I328 HydrophobicContact CZ-CG1 4.19Å; F324-I328 HydrophobicContact CD1-CG1 4.09Å; F324-I328 HydrophobicContact CE1-CD1 4.06Å; F324-I328 HydrophobicContact CE1-CG1 3.79Å; F324-I328 HydrophobicContact CE2-CD1 4.34Å; F324-I328 HydrophobicContact CZ-CD1 3.9Å; F324-I328 HydrophobicContact CZ-CG1 4.16Å; F324-I328 WeakPolarHBondContact O-CG1 3.4Å; F324-I328 PolarHBondContact O-N 3.33Å; F325-I328 HydrophobicContact CD1-CB 4.47Å; F325-I328 PolarHBondContact O-N 2.96Å; K326-I328 PolarHBondContact O-N 2.81Å; I328-E330 PolarHBondContact O-N 2.94Å; I328-V331 PolarHBondContact O-N 2.93Å; I328-F332 HydrophobicContact CD1-CE2 4.49Å; I328-F332 HydrophobicContact CG2-CD2 3.78Å; I328-F332 HydrophobicContact CG2-CE2 4.33Å; I328-F332 PolarHBondContact O-N 2.77Å; I328-I337 HydrophobicContact CG2-CD1 3.92Å; I328-I337 HydrophobicContact CG2-CG1 4.4Å; I328-I337 HydrophobicContact CG2-CG2 4.33Å
329	S	96	Very high	96.4	Very high	20 Å²	20	38.8 Å²	38.8	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-27.6	178.4	77	0	0	0	0	114.1	F325 K326 E327 K389	F325-S329 WeakPolarHBondContact O-CB 3.5Å; F325-S329 PolarHBondContact O-N 2.86Å; F325-S329 PolarHBondContact O-OG 3.27Å; K326-S329 PolarHBondContact O-N 2.91Å; K326-S329 PolarHBondContact O-OG 3.47Å; E327-S329 VanDerWaalsContact C-N 3.27Å; E327-S329 PolarHBondContact O-N 3.41Å; S329-K389 VanDerWaalsContact O-CE 3.28Å; S329-K389 WeakPolarHBondContact O-CE 3.33Å
330	E	96.5	Very high	96.4	Very high	140 Å²	140	33 Å²	33	65%	0.654	17%	0.174	S	C	*	.	H	α-helix	trans	-84.9	-32.7	177	-68.2	174.2	-171.3	0	0	112	K326 E327 I328	K326-E330 VanDerWaalsContact CE-OE1 3.25Å; K326-E330 WeakPolarHBondContact CE-OE1 3.17Å; K326-E330 WeakPolarHBondContact O-CG 3.48Å; K326-E330 PolarHBondContact O-N 3.21Å; E327-E330 PolarHBondContact O-N 2.99Å; I328-E330 PolarHBondContact O-N 2.94Å
331	V	98.2	Very high	96.3	Very high	45 Å²	45	32.8 Å²	32.8	27%	0.273	17%	0.173	S	C	.	.	H	α-helix	trans	-78.6	-44.5	-178.7	171.9	0	0	0	0	111.8	V259 E327 I328	V259-V331 HydrophobicContact CG1-CG1 3.76Å; E327-V331 HydrophobicContact CG-CG2 4.03Å; E327-V331 WeakPolarHBondContact O-CG2 3.38Å; E327-V331 PolarHBondContact O-N 2.9Å; I328-V331 PolarHBondContact O-N 2.93Å
332	F	98.1	Very high	95.9	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.175	C	C	.	.			trans	-99.8	116.4	-175.9	-66.4	-87.4	0	0	0	110.6	W223 Y233 V259 I263 V273 F277 I328 D334 K389	W223-F332 HydrophobicContact CE3-CE1 4.31Å; Y233-F332 HydrophobicContact CE2-CE2 4.26Å; V259-F332 HydrophobicContact CG1-CE1 3.77Å; V259-F332 HydrophobicContact CG1-CE2 4.39Å; V259-F332 HydrophobicContact CG1-CZ 3.66Å; I263-F332 HydrophobicContact CD1-CD1 3.86Å; I263-F332 HydrophobicContact CD1-CE1 4.17Å; I263-F332 HydrophobicContact CG1-CD1 4.42Å; V273-F332 HydrophobicContact CG1-CD1 4.14Å; V273-F332 HydrophobicContact CG1-CE1 4.17Å; F277-F332 HydrophobicContact CE2-CE2 4.05Å; F277-F332 HydrophobicContact CZ-CE2 4.32Å; I328-F332 HydrophobicContact CD1-CE2 4.49Å; I328-F332 HydrophobicContact CG2-CD2 3.78Å; I328-F332 HydrophobicContact CG2-CE2 4.33Å; I328-F332 PolarHBondContact O-N 2.77Å; F332-D334 PolarHBondContact O-N 3.01Å; F332-K389 PolarHBondContact O-NZ 3.01Å
333	P	97.2	Very high	95.6	Very high	47 Å²	47	35.5 Å²	35.5	31%	0.305	18%	0.181	S	C	.	.			trans	-77.2	-18.4	-173.1	29.3	-34.6	0	0	0	113.8	Y127 I263 K389	Y127-P333 HydrophobicContact CD1-CB 4.15Å; Y127-P333 HydrophobicContact CD1-CG 3.64Å; Y127-P333 HydrophobicContact CD2-CB 3.8Å; Y127-P333 HydrophobicContact CD2-CG 4.18Å; Y127-P333 HydrophobicContact CE1-CB 4.17Å; Y127-P333 HydrophobicContact CE1-CG 3.49Å; Y127-P333 VanDerWaalsContact CE1-CG 3.49Å; Y127-P333 HydrophobicContact CE2-CB 3.79Å; Y127-P333 HydrophobicContact CE2-CG 4.04Å; Y127-P333 HydrophobicContact CG-CB 3.98Å; Y127-P333 HydrophobicContact CG-CG 3.99Å; I263-P333 HydrophobicContact CG2-CG 3.74Å; P333-K389 PolarHBondContact O-NZ 2.92Å
334	D	97.9	Very high	95.4	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	16%	0.162	C	C	.	.	S	Bend	trans	-56.9	146.4	-178.5	-165.2	-96.4	0	0	0	111.8	R272 V273 F332 Y336 K389	R272-D334 WeakPolarHBondContact CB-OD2 3.27Å; R272-D334 WeakPolarHBondContact CG-OD2 3.33Å; R272-D334 IonicContact CZ-OD1 3.82Å; R272-D334 IonicContact CZ-OD2 3Å; R272-D334 IonicContact NE-OD1 3.34Å; R272-D334 IonicContact NE-OD2 3.33Å; R272-D334 PolarHBondContact NE-OD2 3.31Å; R272-D334 IonicContact NH2-OD1 3.79Å; R272-D334 PolarHBondContact NH2-OD1 2.87Å; R272-D334 IonicContact NH2-OD2 3.48Å; R272-D334 PolarHBondContact NH2-OD2 3.18Å; V273-D334 WeakPolarHBondContact O-CB 3.42Å; F332-D334 PolarHBondContact O-N 3.01Å; D334-Y336 PolarHBondContact O-N 2.78Å; D334-Y336 PolarHBondContact OD1-N 3.4Å; D334-K389 WeakPolarHBondContact O-CD 3.35Å; D334-K389 PolarHBondContact O-NZ 2.95Å
335	A	95.2	Very high	95.1	Very high	53 Å²	53	34.6 Å²	34.6	44%	0.438	19%	0.186	S	C	.	.	S	Bend	trans	-65.5	-19.8	-179.1	0	0	0	0	0	112.9	K389 G390	A335-K389 CarbonylContact O-C 3.56Å; A335-K389 WeakPolarHBondContact O-CA 3.44Å; A335-G390 PolarHBondContact O-N 2.85Å
336	Y	96	Very high	95	Very high	56 Å²	56	36.8 Å²	36.8	22%	0.22	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.8	-177.1	-65	-92.2	0	0	0	112.4	V130 D334 G390 I392 V409	V130-Y336 HydrophobicContact CG1-CE2 4.29Å; D334-Y336 PolarHBondContact O-N 2.78Å; D334-Y336 PolarHBondContact OD1-N 3.4Å; Y336-G390 WeakPolarHBondContact CA-O 3.44Å; Y336-I392 HydrophobicContact CD1-CG1 4.1Å; Y336-I392 HydrophobicContact CG-CG1 4.36Å; Y336-V409 HydrophobicContact CD1-CG2 4.29Å; Y336-V409 HydrophobicContact CE1-CG2 3.77Å
337	I	96	Very high	94.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.6	166.9	-61.4	169.9	0	0	0	107.3	F325 I328 L339 K389 G390 Y391 I392	F325-I337 HydrophobicContact CE1-CG2 4.28Å; I328-I337 HydrophobicContact CG2-CD1 3.92Å; I328-I337 HydrophobicContact CG2-CG1 4.4Å; I328-I337 HydrophobicContact CG2-CG2 4.33Å; I337-L339 HydrophobicContact CG2-CD2 4.03Å; I337-K389 HydrophobicContact CD1-CB 4.23Å; I337-K389 HydrophobicContact CD1-CG 4.02Å; I337-K389 HydrophobicContact CG1-CB 4.49Å; I337-G390 PolarHBondContact N-O 3.42Å; I337-G390 VanDerWaalsContact N-O 3.16Å; I337-Y391 VanDerWaalsContact O-CA 3.24Å; I337-Y391 WeakPolarHBondContact O-CA 3.47Å; I337-I392 PolarHBondContact O-N 3.49Å
338	H	97.9	Very high	94.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123.2	171.6	-155.9	-72.3	0	0	0	108.6	H222 V274 S275 E276 F277 G340 I392 W394 H411	H222-H338 AromaticContact CE1-CD2 3.37Å; H222-H338 PolarHBondContact CE1-CD2 3.5Å; H222-H338 AromaticContact CE1-CG 3.77Å; H222-H338 AromaticContact CE1-NE2 3.77Å; H222-H338 AromaticContact NE2-CD2 3.56Å; H222-H338 AromaticContact NE2-CG 3.52Å; V274-H338 HydrophobicContact CG1-CB 4.27Å; S275-H338 PolarHBondContact O-N 2.84Å; E276-H338 WeakPolarHBondContact CA-O 3.33Å; E276-H338 HydrophobicContact CB-CB 3.73Å; E276-H338 VanDerWaalsContact CD-ND1 3.31Å; E276-H338 HydrophobicContact CG-CB 3.9Å; E276-H338 IonicContact OE1-CE1 2.88Å; E276-H338 PolarHBondContact OE1-CE1 2.93Å; E276-H338 IonicContact OE1-CG 3.22Å; E276-H338 IonicContact OE1-ND1 2.77Å; E276-H338 PolarHBondContact OE1-ND1 3.13Å; F277-H338 PolarHBondContact N-O 2.83Å; H338-G340 PolarHBondContact ND1-N 3.38Å; H338-G340 VanDerWaalsContact ND1-N 3.16Å; H338-I392 WeakPolarHBondContact CA-O 3.31Å; H338-I392 HydrophobicContact CB-CB 4.36Å; H338-I392 VanDerWaalsContact CD2-CB 3.45Å; H338-I392 WeakPolarHBondContact CD2-CB 3.5Å; H338-I392 WeakPolarHBondContact CD2-CG2 3.31Å; H338-I392 WeakPolarHBondContact NE2-CG2 3.33Å; H338-W394 AromaticContact CE1-CD1 3.71Å; H338-W394 AromaticContact CE1-CD2 3.69Å; H338-W394 AromaticContact CE1-CE2 3.46Å; H338-W394 VanDerWaalsContact CE1-CE2 3.46Å; H338-W394 AromaticContact CE1-CG 3.82Å; H338-W394 AromaticContact CE1-NE1 3.42Å; H338-W394 PolarHBondContact CE1-NE1 2.98Å; H338-W394 AromaticContact ND1-NE1 4Å; H338-W394 AromaticContact NE2-CE2 3.99Å; H338-H411 AromaticContact NE2-ND1 3.45Å; H338-H411 PolarHBondContact NE2-ND1 2.98Å
339	L	95.6	Very high	94.7	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	20%	0.195	C	C	.	.			trans	-95.1	-4.8	-177.6	-58.3	-179.3	0	0	0	112.6	T279 F325 I337 G341 L380 L381 V384 Y391 I392 I393	T279-L339 PolarHBondContact N-O 3.01Å; F325-L339 HydrophobicContact CD1-CD2 4.27Å; F325-L339 HydrophobicContact CE1-CD2 3.65Å; F325-L339 HydrophobicContact CZ-CD2 4Å; I337-L339 HydrophobicContact CG2-CD2 4.03Å; L339-G341 PolarHBondContact O-N 2.55Å; L339-L380 HydrophobicContact CB-CD2 4.44Å; L339-L380 HydrophobicContact CD1-CD2 4.39Å; L339-L380 HydrophobicContact CD1-CG 4.47Å; L339-L381 HydrophobicContact CD1-CD2 3.79Å; L339-V384 HydrophobicContact CD1-CB 4.46Å; L339-V384 HydrophobicContact CD1-CG2 4.01Å; L339-V384 HydrophobicContact CD2-CG2 3.76Å; L339-Y391 HydrophobicContact CD1-CD2 4.16Å; L339-Y391 HydrophobicContact CD1-CG 3.87Å; L339-I392 PolarHBondContact N-O 3.27Å; L339-I393 HydrophobicContact CB-CG2 4.21Å
340	G	94.9	Very high	94.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.			trans	70.1	-126	-178.3	0	0	0	0	0	111.9	E276 D278 H338 W394	E276-G340 WeakPolarHBondContact OE1-CA 3.42Å; D278-G340 VanDerWaalsContact CG-CA 3.43Å; D278-G340 WeakPolarHBondContact OD2-CA 3.26Å; H338-G340 PolarHBondContact ND1-N 3.38Å; H338-G340 VanDerWaalsContact ND1-N 3.16Å; G340-W394 PolarHBondContact O-N 3.07Å
341	G	92.3	Very high	94.7	Very high	1 Å²	1	32 Å²	32	1%	0.01	19%	0.188	C	C	.	.			trans	94	25.9	175.5	0	0	0	0	0	113.6	D278 L339	D278-G341 PolarHBondContact OD1-N 2.81Å; L339-G341 PolarHBondContact O-N 2.55Å
342	D	88.8	Confident	94.7	Very high	6 Å²	6	30 Å²	30	3%	0.032	18%	0.175	C	C	.	.			trans	-89.8	162.5	175.9	64.2	-23.4	0	0	0	112.8	H282 V344 W394 E396	H282-D342 IonicContact CD2-OD1 3.89Å; H282-D342 PolarHBondContact CD2-OD1 2.86Å; H282-D342 IonicContact CD2-OD2 3.32Å; H282-D342 IonicContact NE2-OD1 3.26Å; H282-D342 IonicContact NE2-OD2 3.27Å; D342-V344 WeakPolarHBondContact O-CG2 3.47Å; D342-V344 PolarHBondContact O-N 3.37Å; D342-W394 HydrophobicContact CB-CB 3.86Å; D342-W394 HydrophobicContact CB-CG 3.85Å; D342-E396 WeakPolarHBondContact CA-OE1 3.2Å; D342-E396 WeakPolarHBondContact CB-OE1 3.48Å
343	E	88.4	Confident	94.6	Very high	120 Å²	120	32.4 Å²	32.4	56%	0.561	19%	0.191	S	C	*	.			trans	43.8	33.1	165.5	-55.9	-159.5	139.8	0	0	118	S345 E396 W413	E343-S345 PolarHBondContact O-N 3.33Å; E343-E396 PolarHBondContact N-OE1 2.95Å; E343-E396 VanDerWaalsContact N-OE1 3.08Å; E343-W413 HydrophobicContact CG-CH2 4.23Å; E343-W413 HydrophobicContact CG-CZ2 3.98Å; E343-W413 WeakPolarHBondContact OE1-CH2 3.32Å
344	V	90.4	Very high	94.5	Very high	15 Å²	15	34.7 Å²	34.7	9%	0.091	20%	0.201	C	C	.	.			trans	-66.7	109.4	-176.7	-173.8	0	0	0	0	111.7	P280 P309 D342 F346 W349 E372	P280-V344 HydrophobicContact CG-CG1 4.11Å; P280-V344 HydrophobicContact CG-CG2 3.82Å; P309-V344 HydrophobicContact CB-CG1 4.21Å; P309-V344 HydrophobicContact CG-CG1 3.95Å; D342-V344 WeakPolarHBondContact O-CG2 3.47Å; D342-V344 PolarHBondContact O-N 3.37Å; V344-F346 HydrophobicContact CB-CE1 3.99Å; V344-F346 HydrophobicContact CG1-CD1 4.04Å; V344-F346 HydrophobicContact CG1-CE1 3.81Å; V344-F346 WeakPolarHBondContact O-CE1 3.4Å; V344-F346 PolarHBondContact O-N 3.18Å; V344-W349 HydrophobicContact CG1-CH2 3.7Å; V344-W349 HydrophobicContact CG1-CZ2 4.29Å; V344-W349 HydrophobicContact CG1-CZ3 3.9Å; V344-E372 WeakPolarHBondContact CB-OE1 3.43Å; V344-E372 WeakPolarHBondContact CG2-OE1 3.46Å
345	S	91	Very high	94.5	Very high	73 Å²	73	34.2 Å²	34.2	51%	0.51	20%	0.198	S	C	.	.			trans	-75.1	113.5	174	-178.2	0	0	0	0	112.4	P309 E343 A347	P309-S345 WeakPolarHBondContact CG-O 3.31Å; E343-S345 PolarHBondContact O-N 3.33Å; S345-A347 VanDerWaalsContact C-N 3.28Å; S345-A347 PolarHBondContact O-N 3.18Å
346	F	93.4	Very high	94.5	Very high	45 Å²	45	35.8 Å²	35.8	20%	0.197	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.7	178.8	-53	-37.1	0	0	0	114.6	V344 C348 W349 Q350 Y368 R369 E372	V344-F346 HydrophobicContact CB-CE1 3.99Å; V344-F346 HydrophobicContact CG1-CD1 4.04Å; V344-F346 HydrophobicContact CG1-CE1 3.81Å; V344-F346 WeakPolarHBondContact O-CE1 3.4Å; V344-F346 PolarHBondContact O-N 3.18Å; F346-C348 VanDerWaalsContact C-N 3.33Å; F346-C348 PolarHBondContact O-N 3.05Å; F346-W349 AromaticContact CD1-CE3 3.55Å; F346-W349 HydrophobicContact CD1-CE3 3.55Å; F346-W349 AromaticContact CD1-CZ3 3.54Å; F346-W349 HydrophobicContact CD1-CZ3 3.54Å; F346-W349 HydrophobicContact CE1-CE3 4.21Å; F346-W349 AromaticContact CE1-CZ3 3.71Å; F346-W349 HydrophobicContact CE1-CZ3 3.71Å; F346-W349 HydrophobicContact CG-CE3 4.46Å; F346-W349 PolarHBondContact O-N 3.19Å; F346-Q350 WeakPolarHBondContact O-CB 3.2Å; F346-Q350 WeakPolarHBondContact O-CG 3.32Å; F346-Q350 PolarHBondContact O-N 3.42Å; F346-Y368 HydrophobicContact CB-CG 4.2Å; F346-R369 HydrophobicContact CE2-CG 3.54Å; F346-R369 HydrophobicContact CZ-CB 4.49Å; F346-R369 HydrophobicContact CZ-CG 3.77Å; F346-E372 HydrophobicContact CE1-CB 4.22Å
347	A	94.3	Very high	94.5	Very high	60 Å²	60	39 Å²	39	50%	0.496	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-40.8	-173.3	0	0	0	0	0	112.7	S345 Q350 S351	S345-A347 VanDerWaalsContact C-N 3.28Å; S345-A347 PolarHBondContact O-N 3.18Å; A347-Q350 WeakPolarHBondContact O-CB 3.33Å; A347-Q350 PolarHBondContact O-N 3.49Å; A347-S351 PolarHBondContact O-N 2.65Å
348	C	95.1	Very high	94.6	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-43.6	178.5	-171.9	0	0	0	0	111.7	T295 C297 G308 F346 Q350 S351 N352	T295-C348 PolarHBondContact O-SG 3.38Å; T295-C348 VanDerWaalsContact O-SG 3.39Å; C297-C348 WeakPolarHBondContact CA-SG 3.45Å; C297-C348 HydrophobicContact CB-CB 4.1Å; C297-C348 WeakPolarHBondContact CB-SG 3.41Å; C297-C348 PolarHBondContact N-SG 3.39Å; C297-C348 WeakPolarHBondContact SG-CB 3.3Å; C297-C348 CovalentContact SG-SG 2.04Å; C297-C348 PolarHBondContact SG-SG 2.88Å; G308-C348 PolarHBondContact N-SG 2.81Å; G308-C348 VanDerWaalsContact N-SG 3.42Å; F346-C348 VanDerWaalsContact C-N 3.33Å; F346-C348 PolarHBondContact O-N 3.05Å; C348-Q350 VanDerWaalsContact C-N 3.28Å; C348-Q350 PolarHBondContact O-N 3.05Å; C348-S351 PolarHBondContact O-N 3.32Å; C348-S351 VanDerWaalsContact O-N 3.1Å; C348-S351 PolarHBondContact O-OG 2.77Å; C348-N352 PolarHBondContact O-N 3.04Å
349	W	96.5	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-39.1	173.1	-70.9	-15.7	0	0	0	112.4	P280 T295 P309 V310 P312 V344 F346 S351 N352 I355 Y368 L371 E372	P280-W349 HydrophobicContact CB-CZ2 4.28Å; P280-W349 HydrophobicContact CG-CH2 4.02Å; P280-W349 HydrophobicContact CG-CZ2 4.24Å; T295-W349 VanDerWaalsContact OG1-CD1 3.27Å; T295-W349 PolarHBondContact OG1-NE1 3.44Å; P309-W349 HydrophobicContact CB-CZ2 3.79Å; V310-W349 PolarHBondContact O-NE1 3.15Å; P312-W349 HydrophobicContact CG-CZ2 4.11Å; V344-W349 HydrophobicContact CG1-CH2 3.7Å; V344-W349 HydrophobicContact CG1-CZ2 4.29Å; V344-W349 HydrophobicContact CG1-CZ3 3.9Å; F346-W349 AromaticContact CD1-CE3 3.55Å; F346-W349 HydrophobicContact CD1-CE3 3.55Å; F346-W349 AromaticContact CD1-CZ3 3.54Å; F346-W349 HydrophobicContact CD1-CZ3 3.54Å; F346-W349 HydrophobicContact CE1-CE3 4.21Å; F346-W349 AromaticContact CE1-CZ3 3.71Å; F346-W349 HydrophobicContact CE1-CZ3 3.71Å; F346-W349 HydrophobicContact CG-CE3 4.46Å; F346-W349 PolarHBondContact O-N 3.19Å; W349-S351 VanDerWaalsContact C-N 3.29Å; W349-S351 PolarHBondContact O-N 2.79Å; W349-N352 PolarHBondContact O-N 3.22Å; W349-I355 HydrophobicContact CB-CD1 4.18Å; W349-I355 HydrophobicContact CB-CG2 4.16Å; W349-I355 HydrophobicContact CG-CD1 3.95Å; W349-Y368 HydrophobicContact CB-CD1 3.7Å; W349-Y368 HydrophobicContact CB-CE1 3.82Å; W349-Y368 HydrophobicContact CE3-CD1 4.31Å; W349-L371 HydrophobicContact CD2-CD2 3.96Å; W349-L371 HydrophobicContact CE3-CD2 3.91Å; W349-L371 HydrophobicContact CE3-CG 4.47Å; W349-L371 HydrophobicContact CG-CD2 4.26Å; W349-L371 HydrophobicContact CZ3-CD2 4.43Å; W349-E372 HydrophobicContact CH2-CB 4.1Å; W349-E372 HydrophobicContact CZ3-CB 3.97Å
350	Q	95.9	Very high	94.5	Very high	92 Å²	92	47.5 Å²	47.5	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-35.1	174.6	-80	174.3	17.1	0	0	112.7	F346 A347 C348 Q356 Y368	F346-Q350 WeakPolarHBondContact O-CB 3.2Å; F346-Q350 WeakPolarHBondContact O-CG 3.32Å; F346-Q350 PolarHBondContact O-N 3.42Å; A347-Q350 WeakPolarHBondContact O-CB 3.33Å; A347-Q350 PolarHBondContact O-N 3.49Å; C348-Q350 VanDerWaalsContact C-N 3.28Å; C348-Q350 PolarHBondContact O-N 3.05Å; Q350-Q356 PolarHBondContact O-NE2 3.13Å; Q350-Y368 WeakPolarHBondContact CA-OH 3.24Å; Q350-Y368 HydrophobicContact CB-CE2 4.31Å; Q350-Y368 HydrophobicContact CG-CD1 4.33Å; Q350-Y368 HydrophobicContact CG-CD2 3.51Å; Q350-Y368 HydrophobicContact CG-CE1 4.03Å; Q350-Y368 HydrophobicContact CG-CE2 3.2Å; Q350-Y368 HydrophobicContact CG-CG 4.09Å; Q350-Y368 VanDerWaalsContact CG-CZ 3.47Å
351	S	96.2	Very high	94.5	Very high	30 Å²	30	53.7 Å²	53.7	21%	0.21	28%	0.28	C	S	.	.	H	α-helix	trans	-74.8	-28.1	179.3	75	0	0	0	0	113.4	Y298 A347 C348 W349 P353	Y298-S351 WeakPolarHBondContact CB-O 3.37Å; Y298-S351 PolarHBondContact N-OG 3.27Å; Y298-S351 VanDerWaalsContact O-CB 3.29Å; Y298-S351 WeakPolarHBondContact O-CB 3.31Å; A347-S351 PolarHBondContact O-N 2.65Å; C348-S351 PolarHBondContact O-N 3.32Å; C348-S351 VanDerWaalsContact O-N 3.1Å; C348-S351 PolarHBondContact O-OG 2.77Å; W349-S351 VanDerWaalsContact C-N 3.29Å; W349-S351 PolarHBondContact O-N 2.79Å; S351-P353 WeakPolarHBondContact O-CD 3.48Å
352	N	97.1	Very high	94.6	Very high	3 Å²	3	58 Å²	58	2%	0.016	30%	0.3	C	S	.	.			trans	-80.8	120.3	-168.5	-174.7	-63.7	0	0	0	112.6	T295 P296 Y298 C348 W349 D354 I355 Q356	T295-N352 HydrophobicContact CG2-CB 3.96Å; P296-N352 PolarHBondContact O-ND2 3.18Å; Y298-N352 HydrophobicContact CD2-CB 4.28Å; C348-N352 PolarHBondContact O-N 3.04Å; W349-N352 PolarHBondContact O-N 3.22Å; N352-D354 PolarHBondContact O-N 3.48Å; N352-D354 WeakPolarHBondContact OD1-CB 2.94Å; N352-D354 PolarHBondContact OD1-N 3.32Å; N352-I355 HydrophobicContact CB-CB 4.19Å; N352-I355 HydrophobicContact CB-CD1 4.18Å; N352-I355 HydrophobicContact CB-CG1 4.2Å; N352-I355 PolarHBondContact O-N 2.94Å; N352-I355 PolarHBondContact OD1-N 3.49Å; N352-I355 VanDerWaalsContact OD1-N 3.14Å; N352-Q356 WeakPolarHBondContact O-CG 3.41Å; N352-Q356 PolarHBondContact O-N 3.44Å
353	P	96.3	Very high	94.9	Very high	53 Å²	53	60.6 Å²	60.6	34%	0.344	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-34.8	-177.4	-24.3	34.4	0	0	0	115	Y298 S351 Q356 K357	Y298-P353 HydrophobicContact CD1-CG 4.12Å; Y298-P353 HydrophobicContact CE1-CG 4.06Å; S351-P353 WeakPolarHBondContact O-CD 3.48Å; P353-Q356 PolarHBondContact O-N 2.88Å; P353-K357 WeakPolarHBondContact O-CB 3.19Å; P353-K357 PolarHBondContact O-N 3.46Å
354	D	96.3	Very high	95.2	Very high	95 Å²	95	56.6 Å²	56.6	51%	0.508	31%	0.308	S	S	.	.	H	α-helix	trans	-69.8	-38.3	-179.9	-65	-40.3	0	0	0	110.7	I313 N352 K357 F358	I313-D354 HydrophobicContact CD1-CB 3.89Å; N352-D354 PolarHBondContact O-N 3.48Å; N352-D354 WeakPolarHBondContact OD1-CB 2.94Å; N352-D354 PolarHBondContact OD1-N 3.32Å; D354-K357 PolarHBondContact O-N 3.33Å; D354-F358 PolarHBondContact O-N 3.06Å
355	I	96.8	Very high	95.3	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-44	173.4	-65.9	-177.5	0	0	0	110.7	T295 I313 W349 N352 K357 F358 M359 Y368 L371	T295-I355 HydrophobicContact CG2-CD1 3.44Å; T295-I355 VanDerWaalsContact CG2-CD1 3.44Å; I313-I355 HydrophobicContact CD1-CG1 4.2Å; I313-I355 HydrophobicContact CG1-CG1 4.26Å; I313-I355 HydrophobicContact CG2-CG1 4.16Å; W349-I355 HydrophobicContact CB-CD1 4.18Å; W349-I355 HydrophobicContact CB-CG2 4.16Å; W349-I355 HydrophobicContact CG-CD1 3.95Å; N352-I355 HydrophobicContact CB-CB 4.19Å; N352-I355 HydrophobicContact CB-CD1 4.18Å; N352-I355 HydrophobicContact CB-CG1 4.2Å; N352-I355 PolarHBondContact O-N 2.94Å; N352-I355 PolarHBondContact OD1-N 3.49Å; N352-I355 VanDerWaalsContact OD1-N 3.14Å; I355-K357 VanDerWaalsContact C-N 3.26Å; I355-K357 PolarHBondContact O-N 2.98Å; I355-F358 WeakPolarHBondContact O-CB 3.25Å; I355-F358 PolarHBondContact O-N 3.34Å; I355-F358 VanDerWaalsContact O-N 3.09Å; I355-M359 HydrophobicContact CG2-CG 4.19Å; I355-M359 VanDerWaalsContact O-CG 3.23Å; I355-M359 WeakPolarHBondContact O-CG 3.43Å; I355-M359 PolarHBondContact O-N 3.49Å; I355-Y368 HydrophobicContact CG2-CE1 3.98Å; I355-L371 HydrophobicContact CG2-CD2 3.52Å
356	Q	95.9	Very high	95.3	Very high	86 Å²	86	64 Å²	64	40%	0.402	34%	0.343	S	S	.	.	H	α-helix	trans	-55.6	-43.9	174.7	-72.1	178.3	-2.9	0	0	111.6	Q350 N352 P353 F358 M359 E360	Q350-Q356 PolarHBondContact O-NE2 3.13Å; N352-Q356 WeakPolarHBondContact O-CG 3.41Å; N352-Q356 PolarHBondContact O-N 3.44Å; P353-Q356 PolarHBondContact O-N 2.88Å; Q356-F358 VanDerWaalsContact C-N 3.35Å; Q356-F358 PolarHBondContact O-N 3.07Å; Q356-M359 WeakPolarHBondContact O-CB 3.36Å; Q356-M359 PolarHBondContact O-N 2.83Å; Q356-E360 PolarHBondContact O-N 2.87Å
357	K	96.4	Very high	95.3	Very high	124 Å²	124	63.9 Å²	63.9	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-40.8	175.8	-174.4	179.2	179.5	-177.2	0	112.2	P353 D354 I355 E360 Q361	P353-K357 WeakPolarHBondContact O-CB 3.19Å; P353-K357 PolarHBondContact O-N 3.46Å; D354-K357 PolarHBondContact O-N 3.33Å; I355-K357 VanDerWaalsContact C-N 3.26Å; I355-K357 PolarHBondContact O-N 2.98Å; K357-E360 PolarHBondContact O-N 3.14Å; K357-Q361 VanDerWaalsContact O-CG 3.27Å; K357-Q361 WeakPolarHBondContact O-CG 3.35Å; K357-Q361 PolarHBondContact O-N 3.36Å
358	F	96.3	Very high	95.2	Very high	29 Å²	29	61.8 Å²	61.8	13%	0.127	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-41.8	174.8	-176.9	-94.3	0	0	0	112.1	I313 D354 I355 Q356 E360 Q361 Q362 F364 L371 F374	I313-F358 HydrophobicContact CB-CB 4.32Å; I313-F358 HydrophobicContact CB-CD1 4.42Å; I313-F358 HydrophobicContact CB-CD2 4.06Å; I313-F358 HydrophobicContact CB-CE2 4.47Å; I313-F358 HydrophobicContact CB-CG 4.02Å; I313-F358 HydrophobicContact CD1-CB 4.48Å; I313-F358 HydrophobicContact CG2-CB 3.7Å; I313-F358 HydrophobicContact CG2-CD1 3.44Å; I313-F358 VanDerWaalsContact CG2-CD1 3.44Å; I313-F358 HydrophobicContact CG2-CD2 3.95Å; I313-F358 HydrophobicContact CG2-CE1 3.98Å; I313-F358 HydrophobicContact CG2-CE2 4.43Å; I313-F358 HydrophobicContact CG2-CG 3.41Å; I313-F358 VanDerWaalsContact CG2-CG 3.41Å; I313-F358 HydrophobicContact CG2-CZ 4.44Å; D354-F358 PolarHBondContact O-N 3.06Å; I355-F358 WeakPolarHBondContact O-CB 3.25Å; I355-F358 PolarHBondContact O-N 3.34Å; I355-F358 VanDerWaalsContact O-N 3.09Å; Q356-F358 VanDerWaalsContact C-N 3.35Å; Q356-F358 PolarHBondContact O-N 3.07Å; F358-E360 VanDerWaalsContact C-N 3.3Å; F358-E360 PolarHBondContact O-N 3.23Å; F358-Q361 PolarHBondContact O-N 3.35Å; F358-Q362 HydrophobicContact CD1-CG 3.94Å; F358-Q362 HydrophobicContact CD2-CG 4.38Å; F358-Q362 HydrophobicContact CE1-CG 3.5Å; F358-Q362 HydrophobicContact CE2-CG 3.98Å; F358-Q362 HydrophobicContact CG-CG 4.37Å; F358-Q362 HydrophobicContact CZ-CG 3.52Å; F358-Q362 WeakPolarHBondContact O-CG 3.41Å; F358-Q362 PolarHBondContact O-N 2.99Å; F358-F364 HydrophobicContact CE1-CE2 4.25Å; F358-L371 HydrophobicContact CD1-CD1 3.82Å; F358-L371 HydrophobicContact CE1-CD1 3.72Å; F358-F374 HydrophobicContact CE1-CD1 4.39Å; F358-F374 HydrophobicContact CE1-CE1 4.28Å; F358-F374 HydrophobicContact CZ-CD1 4.42Å; F358-F374 AromaticContact CZ-CE1 3.88Å; F358-F374 HydrophobicContact CZ-CE1 3.88Å; F358-F374 HydrophobicContact CZ-CE2 4.47Å; F358-F374 AromaticContact CZ-CZ 3.92Å; F358-F374 HydrophobicContact CZ-CZ 3.92Å
359	M	96.8	Very high	95	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-41	176.2	-69.3	-69.2	-74.9	0	0	112	I355 Q356 G363 F364 G365 D367 Y368 L371	I355-M359 HydrophobicContact CG2-CG 4.19Å; I355-M359 VanDerWaalsContact O-CG 3.23Å; I355-M359 WeakPolarHBondContact O-CG 3.43Å; I355-M359 PolarHBondContact O-N 3.49Å; Q356-M359 WeakPolarHBondContact O-CB 3.36Å; Q356-M359 PolarHBondContact O-N 2.83Å; M359-G363 PolarHBondContact O-N 3.39Å; M359-F364 HydrophobicContact CE-CB 3.56Å; M359-F364 PolarHBondContact O-N 3.09Å; M359-F364 HydrophobicContact SD-CB 3.78Å; M359-F364 HydrophobicContact SD-CD2 3.78Å; M359-F364 HydrophobicContact SD-CG 4.3Å; M359-G365 WeakPolarHBondContact CE-O 3.33Å; M359-D367 WeakPolarHBondContact CE-O 3.38Å; M359-Y368 HydrophobicContact CE-CD1 4.03Å; M359-Y368 HydrophobicContact CE-CD2 4.16Å; M359-Y368 HydrophobicContact CE-CE1 4.2Å; M359-Y368 HydrophobicContact CE-CE2 4.26Å; M359-Y368 HydrophobicContact CE-CG 4.02Å; M359-Y368 HydrophobicContact CG-CE1 3.96Å; M359-Y368 HydrophobicContact SD-CD1 4.27Å; M359-Y368 HydrophobicContact SD-CE1 4.3Å; M359-L371 HydrophobicContact CE-CB 4.5Å; M359-L371 HydrophobicContact SD-CB 3.69Å; M359-L371 HydrophobicContact SD-CD1 4.13Å; M359-L371 HydrophobicContact SD-CD2 3.95Å; M359-L371 HydrophobicContact SD-CG 4.14Å
360	E	95.7	Very high	94.7	Very high	152 Å²	152	72 Å²	72	71%	0.71	36%	0.363	S	S	*	.	H	α-helix	trans	-65.7	-45.9	174.2	-70.7	177	177.7	0	0	111.7	Q356 K357 F358 Q362 G363	Q356-E360 PolarHBondContact O-N 2.87Å; K357-E360 PolarHBondContact O-N 3.14Å; F358-E360 VanDerWaalsContact C-N 3.3Å; F358-E360 PolarHBondContact O-N 3.23Å; E360-Q362 PolarHBondContact O-N 3.02Å; E360-G363 PolarHBondContact O-N 2.91Å; E360-G363 VanDerWaalsContact O-N 3.12Å
361	Q	95.4	Very high	94.6	Very high	131 Å²	131	67.6 Å²	67.6	61%	0.612	34%	0.343	S	S	*	.	H	α-helix	trans	-62.2	-39.2	180	-74	173.7	-2.6	0	0	113.2	K357 F358 G363	K357-Q361 VanDerWaalsContact O-CG 3.27Å; K357-Q361 WeakPolarHBondContact O-CG 3.35Å; K357-Q361 PolarHBondContact O-N 3.36Å; F358-Q361 PolarHBondContact O-N 3.35Å; Q361-G363 VanDerWaalsContact C-N 3.28Å
362	Q	93.9	Very high	94.3	Very high	92 Å²	92	66.2 Å²	66.2	43%	0.43	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.5	177.6	-62.2	-56.4	-45.7	0	0	113.1	F358 E360 F364	F358-Q362 HydrophobicContact CD1-CG 3.94Å; F358-Q362 HydrophobicContact CD2-CG 4.38Å; F358-Q362 HydrophobicContact CE1-CG 3.5Å; F358-Q362 HydrophobicContact CE2-CG 3.98Å; F358-Q362 HydrophobicContact CG-CG 4.37Å; F358-Q362 HydrophobicContact CZ-CG 3.52Å; F358-Q362 WeakPolarHBondContact O-CG 3.41Å; F358-Q362 PolarHBondContact O-N 2.99Å; E360-Q362 PolarHBondContact O-N 3.02Å; Q362-F364 VanDerWaalsContact C-N 3.27Å; Q362-F364 HydrophobicContact CB-CD1 3.93Å; Q362-F364 HydrophobicContact CB-CD2 3.7Å; Q362-F364 HydrophobicContact CB-CE1 3.79Å; Q362-F364 HydrophobicContact CB-CE2 3.55Å; Q362-F364 HydrophobicContact CB-CG 3.9Å; Q362-F364 HydrophobicContact CB-CZ 3.6Å; Q362-F364 HydrophobicContact CG-CD2 4.38Å; Q362-F364 HydrophobicContact CG-CE2 3.92Å; Q362-F364 HydrophobicContact CG-CZ 4.12Å; Q362-F364 PolarHBondContact O-N 3.15Å
363	G	95.1	Very high	93.8	Very high	59 Å²	59	66.9 Å²	66.9	61%	0.608	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	24.8	-176.8	0	0	0	0	0	113.6	M359 E360 Q361 G365	M359-G363 PolarHBondContact O-N 3.39Å; E360-G363 PolarHBondContact O-N 2.91Å; E360-G363 VanDerWaalsContact O-N 3.12Å; Q361-G363 VanDerWaalsContact C-N 3.28Å; G363-G365 VanDerWaalsContact C-N 3.31Å
364	F	93.7	Very high	93.5	Very high	37 Å²	37	65.4 Å²	65.4	16%	0.162	33%	0.326	C	S	.	.			trans	-77.9	-18.1	177.3	-62	-20.8	0	0	0	112.6	F358 M359 Q362 K366 D367 K370 L371 F374	F358-F364 HydrophobicContact CE1-CE2 4.25Å; M359-F364 HydrophobicContact CE-CB 3.56Å; M359-F364 PolarHBondContact O-N 3.09Å; M359-F364 HydrophobicContact SD-CB 3.78Å; M359-F364 HydrophobicContact SD-CD2 3.78Å; M359-F364 HydrophobicContact SD-CG 4.3Å; Q362-F364 VanDerWaalsContact C-N 3.27Å; Q362-F364 HydrophobicContact CB-CD1 3.93Å; Q362-F364 HydrophobicContact CB-CD2 3.7Å; Q362-F364 HydrophobicContact CB-CE1 3.79Å; Q362-F364 HydrophobicContact CB-CE2 3.55Å; Q362-F364 HydrophobicContact CB-CG 3.9Å; Q362-F364 HydrophobicContact CB-CZ 3.6Å; Q362-F364 HydrophobicContact CG-CD2 4.38Å; Q362-F364 HydrophobicContact CG-CE2 3.92Å; Q362-F364 HydrophobicContact CG-CZ 4.12Å; Q362-F364 PolarHBondContact O-N 3.15Å; F364-K366 PolarHBondContact O-N 3.22Å; F364-D367 PolarHBondContact O-N 3Å; F364-K370 HydrophobicContact CB-CB 4.21Å; F364-K370 HydrophobicContact CB-CD 4.44Å; F364-K370 HydrophobicContact CD1-CB 4.02Å; F364-K370 HydrophobicContact CD1-CD 4.2Å; F364-K370 HydrophobicContact CD2-CB 4.39Å; F364-K370 HydrophobicContact CG-CB 3.96Å; F364-L371 HydrophobicContact CD2-CD1 4.49Å; F364-L371 HydrophobicContact CE2-CD1 4.42Å; F364-F374 HydrophobicContact CE2-CB 3.97Å; F364-F374 HydrophobicContact CE2-CD2 4.36Å; F364-F374 HydrophobicContact CE2-CG 4.23Å; F364-F374 HydrophobicContact CZ-CB 4.05Å; F364-F374 HydrophobicContact CZ-CD2 4.05Å; F364-F374 HydrophobicContact CZ-CG 4.29Å
365	G	92.8	Very high	93.2	Very high	45 Å²	45	60.9 Å²	60.9	46%	0.464	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	-129.1	-179.6	0	0	0	0	0	111.1	M359 G363	M359-G365 WeakPolarHBondContact CE-O 3.33Å; G363-G365 VanDerWaalsContact C-N 3.31Å
366	K	92.6	Very high	92.7	Very high	197 Å²	197	61.1 Å²	61.1	86%	0.857	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	11.9	177.5	-62.7	-169.9	176.7	-173.4	0	113.7	F364 Y368	F364-K366 PolarHBondContact O-N 3.22Å; K366-Y368 VanDerWaalsContact O-CD2 3.3Å; K366-Y368 WeakPolarHBondContact O-CD2 3.43Å; K366-Y368 PolarHBondContact O-N 3.44Å
367	D	92.9	Very high	91.8	Very high	44 Å²	44	59.5 Å²	59.5	24%	0.235	30%	0.296	C	S	.	.			trans	-94.5	86.3	-176.1	-169.4	8.4	0	0	0	111.2	M359 F364 R369 K370	M359-D367 WeakPolarHBondContact CE-O 3.38Å; F364-D367 PolarHBondContact O-N 3Å; D367-R369 PolarHBondContact O-N 2.92Å; D367-R369 IonicContact OD1-CZ 3.41Å; D367-R369 IonicContact OD1-NE 2.97Å; D367-R369 PolarHBondContact OD1-NE 2.87Å; D367-R369 IonicContact OD1-NH2 3.36Å; D367-R369 PolarHBondContact OD1-NH2 2.86Å; D367-R369 IonicContact OD2-NH2 3Å; D367-R369 PolarHBondContact OD2-NH2 2.78Å; D367-K370 HydrophobicContact CB-CD 4.29Å; D367-K370 HydrophobicContact CB-CG 4.34Å; D367-K370 WeakPolarHBondContact O-CB 3.38Å; D367-K370 PolarHBondContact O-N 2.82Å; D367-K370 WeakPolarHBondContact OD2-CE 3.47Å
368	Y	92.3	Very high	90.5	Very high	16 Å²	16	56.4 Å²	56.4	6%	0.063	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.1	-174.7	-72.8	-95.8	0	0	0	114.1	F346 W349 Q350 I355 M359 K366 K370 L371 E372	F346-Y368 HydrophobicContact CB-CG 4.2Å; W349-Y368 HydrophobicContact CB-CD1 3.7Å; W349-Y368 HydrophobicContact CB-CE1 3.82Å; W349-Y368 HydrophobicContact CE3-CD1 4.31Å; Q350-Y368 WeakPolarHBondContact CA-OH 3.24Å; Q350-Y368 HydrophobicContact CB-CE2 4.31Å; Q350-Y368 HydrophobicContact CG-CD1 4.33Å; Q350-Y368 HydrophobicContact CG-CD2 3.51Å; Q350-Y368 HydrophobicContact CG-CE1 4.03Å; Q350-Y368 HydrophobicContact CG-CE2 3.2Å; Q350-Y368 HydrophobicContact CG-CG 4.09Å; Q350-Y368 VanDerWaalsContact CG-CZ 3.47Å; I355-Y368 HydrophobicContact CG2-CE1 3.98Å; M359-Y368 HydrophobicContact CE-CD1 4.03Å; M359-Y368 HydrophobicContact CE-CD2 4.16Å; M359-Y368 HydrophobicContact CE-CE1 4.2Å; M359-Y368 HydrophobicContact CE-CE2 4.26Å; M359-Y368 HydrophobicContact CE-CG 4.02Å; M359-Y368 HydrophobicContact CG-CE1 3.96Å; M359-Y368 HydrophobicContact SD-CD1 4.27Å; M359-Y368 HydrophobicContact SD-CE1 4.3Å; K366-Y368 VanDerWaalsContact O-CD2 3.3Å; K366-Y368 WeakPolarHBondContact O-CD2 3.43Å; K366-Y368 PolarHBondContact O-N 3.44Å; Y368-K370 PolarHBondContact O-N 2.6Å; Y368-L371 HydrophobicContact CD1-CD2 4.11Å; Y368-L371 WeakPolarHBondContact O-CA 3.42Å; Y368-L371 VanDerWaalsContact O-CB 3.29Å; Y368-L371 WeakPolarHBondContact O-CB 3.33Å; Y368-L371 PolarHBondContact O-N 2.99Å; Y368-E372 PolarHBondContact O-N 2.59Å
369	R	90	Very high	89.7	Confident	123 Å²	123	59.9 Å²	59.9	46%	0.464	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-31.7	168.4	-65.2	169.4	-64.9	-179.2	5.1	111.7	F346 D367 L371 S373 N400	F346-R369 HydrophobicContact CE2-CG 3.54Å; F346-R369 HydrophobicContact CZ-CB 4.49Å; F346-R369 HydrophobicContact CZ-CG 3.77Å; D367-R369 PolarHBondContact O-N 2.92Å; D367-R369 IonicContact OD1-CZ 3.41Å; D367-R369 IonicContact OD1-NE 2.97Å; D367-R369 PolarHBondContact OD1-NE 2.87Å; D367-R369 IonicContact OD1-NH2 3.36Å; D367-R369 PolarHBondContact OD1-NH2 2.86Å; D367-R369 IonicContact OD2-NH2 3Å; D367-R369 PolarHBondContact OD2-NH2 2.78Å; R369-L371 VanDerWaalsContact C-N 3.3Å; R369-L371 PolarHBondContact O-N 3Å; R369-S373 VanDerWaalsContact O-CB 3.3Å; R369-S373 WeakPolarHBondContact O-CB 3.42Å; R369-S373 PolarHBondContact O-N 3.47Å; R369-S373 PolarHBondContact O-OG 3.3Å; R369-N400 HydrophobicContact CB-CB 4.46Å
370	K	91	Very high	88.9	Confident	101 Å²	101	59.9 Å²	59.9	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-69.1	-29.9	173.4	-64.5	-177	179.8	177.9	0	112.5	F364 D367 Y368 F374	F364-K370 HydrophobicContact CB-CB 4.21Å; F364-K370 HydrophobicContact CB-CD 4.44Å; F364-K370 HydrophobicContact CD1-CB 4.02Å; F364-K370 HydrophobicContact CD1-CD 4.2Å; F364-K370 HydrophobicContact CD2-CB 4.39Å; F364-K370 HydrophobicContact CG-CB 3.96Å; D367-K370 HydrophobicContact CB-CD 4.29Å; D367-K370 HydrophobicContact CB-CG 4.34Å; D367-K370 WeakPolarHBondContact O-CB 3.38Å; D367-K370 PolarHBondContact O-N 2.82Å; D367-K370 WeakPolarHBondContact OD2-CE 3.47Å; Y368-K370 PolarHBondContact O-N 2.6Å; K370-F374 VanDerWaalsContact O-CB 3.29Å; K370-F374 WeakPolarHBondContact O-CB 3.28Å; K370-F374 PolarHBondContact O-N 2.85Å
371	L	92.5	Very high	88.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.4	-44.2	175.9	-174	62.1	0	0	0	111.2	P312 I313 W349 I355 F358 M359 F364 Y368 R369 S373 F374 Y375	P312-L371 HydrophobicContact CB-CD1 4.49Å; P312-L371 HydrophobicContact CG-CD1 3.82Å; P312-L371 HydrophobicContact CG-CD2 3.82Å; P312-L371 HydrophobicContact CG-CG 3.67Å; I313-L371 HydrophobicContact CG2-CD1 4.46Å; W349-L371 HydrophobicContact CD2-CD2 3.96Å; W349-L371 HydrophobicContact CE3-CD2 3.91Å; W349-L371 HydrophobicContact CE3-CG 4.47Å; W349-L371 HydrophobicContact CG-CD2 4.26Å; W349-L371 HydrophobicContact CZ3-CD2 4.43Å; I355-L371 HydrophobicContact CG2-CD2 3.52Å; F358-L371 HydrophobicContact CD1-CD1 3.82Å; F358-L371 HydrophobicContact CE1-CD1 3.72Å; M359-L371 HydrophobicContact CE-CB 4.5Å; M359-L371 HydrophobicContact SD-CB 3.69Å; M359-L371 HydrophobicContact SD-CD1 4.13Å; M359-L371 HydrophobicContact SD-CD2 3.95Å; M359-L371 HydrophobicContact SD-CG 4.14Å; F364-L371 HydrophobicContact CD2-CD1 4.49Å; F364-L371 HydrophobicContact CE2-CD1 4.42Å; Y368-L371 HydrophobicContact CD1-CD2 4.11Å; Y368-L371 WeakPolarHBondContact O-CA 3.42Å; Y368-L371 VanDerWaalsContact O-CB 3.29Å; Y368-L371 WeakPolarHBondContact O-CB 3.33Å; Y368-L371 PolarHBondContact O-N 2.99Å; R369-L371 VanDerWaalsContact C-N 3.3Å; R369-L371 PolarHBondContact O-N 3Å; L371-S373 VanDerWaalsContact C-N 3.35Å; L371-F374 WeakPolarHBondContact O-CB 3.37Å; L371-F374 PolarHBondContact O-N 3.29Å; L371-Y375 PolarHBondContact O-N 3.29Å
372	E	90.7	Very high	87.5	Confident	2 Å²	2	51 Å²	51	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-48	170.7	179.6	-167.6	-105.2	0	0	110.8	V344 F346 W349 Y368 F374 Y375 I376 N400	V344-E372 WeakPolarHBondContact CB-OE1 3.43Å; V344-E372 WeakPolarHBondContact CG2-OE1 3.46Å; F346-E372 HydrophobicContact CE1-CB 4.22Å; W349-E372 HydrophobicContact CH2-CB 4.1Å; W349-E372 HydrophobicContact CZ3-CB 3.97Å; Y368-E372 PolarHBondContact O-N 2.59Å; E372-F374 PolarHBondContact O-N 2.96Å; E372-Y375 WeakPolarHBondContact O-CA 3.46Å; E372-Y375 WeakPolarHBondContact O-CB 3.22Å; E372-Y375 PolarHBondContact O-N 2.99Å; E372-I376 HydrophobicContact CG-CD1 3.93Å; E372-I376 HydrophobicContact CG-CG1 4.47Å; E372-I376 WeakPolarHBondContact O-CG1 3.46Å; E372-I376 PolarHBondContact O-N 3.18Å; E372-N400 PolarHBondContact OE2-ND2 3.12Å
373	S	87.4	Confident	86.9	Confident	16 Å²	16	47.7 Å²	47.7	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-39	174.6	-61.9	0	0	0	0	111.9	R369 L371 Q377 V402	R369-S373 VanDerWaalsContact O-CB 3.3Å; R369-S373 WeakPolarHBondContact O-CB 3.42Å; R369-S373 PolarHBondContact O-N 3.47Å; R369-S373 PolarHBondContact O-OG 3.3Å; L371-S373 VanDerWaalsContact C-N 3.35Å; S373-Q377 WeakPolarHBondContact O-CA 3.18Å; S373-Q377 WeakPolarHBondContact O-CB 3.33Å; S373-Q377 PolarHBondContact O-N 2.85Å; S373-V402 WeakPolarHBondContact OG-CG2 3.5Å
374	F	89.4	Confident	86.2	Confident	23 Å²	23	44.9 Å²	44.9	10%	0.101	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-42.5	175	172.1	-88	0	0	0	111.9	F358 F364 K370 L371 E372 N378	F358-F374 HydrophobicContact CE1-CD1 4.39Å; F358-F374 HydrophobicContact CE1-CE1 4.28Å; F358-F374 HydrophobicContact CZ-CD1 4.42Å; F358-F374 AromaticContact CZ-CE1 3.88Å; F358-F374 HydrophobicContact CZ-CE1 3.88Å; F358-F374 HydrophobicContact CZ-CE2 4.47Å; F358-F374 AromaticContact CZ-CZ 3.92Å; F358-F374 HydrophobicContact CZ-CZ 3.92Å; F364-F374 HydrophobicContact CE2-CB 3.97Å; F364-F374 HydrophobicContact CE2-CD2 4.36Å; F364-F374 HydrophobicContact CE2-CG 4.23Å; F364-F374 HydrophobicContact CZ-CB 4.05Å; F364-F374 HydrophobicContact CZ-CD2 4.05Å; F364-F374 HydrophobicContact CZ-CG 4.29Å; K370-F374 VanDerWaalsContact O-CB 3.29Å; K370-F374 WeakPolarHBondContact O-CB 3.28Å; K370-F374 PolarHBondContact O-N 2.85Å; L371-F374 WeakPolarHBondContact O-CB 3.37Å; L371-F374 PolarHBondContact O-N 3.29Å; E372-F374 PolarHBondContact O-N 2.96Å; F374-N378 HydrophobicContact CD2-CB 4.4Å; F374-N378 VanDerWaalsContact CD2-ND2 3.27Å; F374-N378 WeakPolarHBondContact CD2-ND2 3.47Å; F374-N378 WeakPolarHBondContact O-CB 3.41Å; F374-N378 PolarHBondContact O-N 3.22Å
375	Y	90.8	Very high	85.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-51.3	176.3	170.8	-98.7	0	0	0	111.9	T279 P280 V310 P312 T317 Y318 M321 L371 E372 L380	T279-Y375 WeakPolarHBondContact CB-OH 3.42Å; T279-Y375 PolarHBondContact OG1-OH 3.37Å; P280-Y375 HydrophobicContact CB-CD1 3.91Å; P280-Y375 HydrophobicContact CB-CE1 3.75Å; P280-Y375 HydrophobicContact CG-CD1 3.83Å; P280-Y375 HydrophobicContact CG-CE1 4.01Å; V310-Y375 HydrophobicContact CG1-CE2 3.93Å; P312-Y375 HydrophobicContact CB-CD2 4.01Å; P312-Y375 HydrophobicContact CB-CG 4.29Å; T317-Y375 HydrophobicContact CG2-CE2 4.23Å; Y318-Y375 AromaticContact CE1-CD2 3.73Å; Y318-Y375 HydrophobicContact CE1-CD2 3.73Å; Y318-Y375 HydrophobicContact CE1-CE2 4.03Å; M321-Y375 WeakPolarHBondContact CE-OH 3.42Å; L371-Y375 PolarHBondContact O-N 3.29Å; E372-Y375 WeakPolarHBondContact O-CA 3.46Å; E372-Y375 WeakPolarHBondContact O-CB 3.22Å; E372-Y375 PolarHBondContact O-N 2.99Å; Y375-L380 HydrophobicContact CE1-CD2 3.97Å; Y375-L380 PolarHBondContact O-N 2.67Å; Y375-L380 VanDerWaalsContact O-N 3.13Å
376	I	84.9	Confident	85.1	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.229	C	C	.	.	I	π-helix	trans	-70.7	-57.7	-176.1	-59	179.2	0	0	0	109.7	E372 L380 L381 V397 V402	E372-I376 HydrophobicContact CG-CD1 3.93Å; E372-I376 HydrophobicContact CG-CG1 4.47Å; E372-I376 WeakPolarHBondContact O-CG1 3.46Å; E372-I376 PolarHBondContact O-N 3.18Å; I376-L380 PolarHBondContact O-N 3.25Å; I376-L381 HydrophobicContact CG2-CD1 4.24Å; I376-L381 HydrophobicContact CG2-CD2 4.24Å; I376-L381 HydrophobicContact CG2-CG 3.99Å; I376-L381 WeakPolarHBondContact O-CG 3.5Å; I376-L381 PolarHBondContact O-N 3.04Å; I376-V397 HydrophobicContact CD1-CB 4.29Å; I376-V397 HydrophobicContact CD1-CG1 3.84Å; I376-V397 HydrophobicContact CD1-CG2 3.63Å; I376-V397 HydrophobicContact CG2-CG1 3.8Å; I376-V402 HydrophobicContact CG2-CG1 4.22Å
377	Q	77.4	Confident	84.8	Confident	52 Å²	52	38.2 Å²	38.2	24%	0.243	20%	0.196	C	C	.	.	I	π-helix	trans	-67.4	-51.8	-170.2	-159.8	-173.6	-49.8	0	0	113.6	S373 R379 V402 K403	S373-Q377 WeakPolarHBondContact O-CA 3.18Å; S373-Q377 WeakPolarHBondContact O-CB 3.33Å; S373-Q377 PolarHBondContact O-N 2.85Å; Q377-R379 VanDerWaalsContact C-N 3.31Å; Q377-R379 PolarHBondContact O-N 2.83Å; Q377-V402 HydrophobicContact CB-CG1 3.91Å; Q377-V402 HydrophobicContact CG-CG1 4.19Å; Q377-K403 HydrophobicContact CG-CB 4.25Å; Q377-K403 VanDerWaalsContact OE1-N 3.17Å
378	N	68.9	Low	84.6	Confident	59 Å²	59	43.5 Å²	43.5	32%	0.316	22%	0.224	S	C	.	.	I	π-helix	trans	-89.8	-1.6	-164.6	-63.2	-31.4	0	0	0	113	F374	F374-N378 HydrophobicContact CD2-CB 4.4Å; F374-N378 VanDerWaalsContact CD2-ND2 3.27Å; F374-N378 WeakPolarHBondContact CD2-ND2 3.47Å; F374-N378 WeakPolarHBondContact O-CB 3.41Å; F374-N378 PolarHBondContact O-N 3.22Å
379	R	79.3	Confident	84.6	Confident	102 Å²	102	44.2 Å²	44.2	39%	0.385	23%	0.228	S	C	.	.	I	π-helix	trans	-143.1	-64.1	-170.6	-60.4	-72.2	-177.5	-101.1	3.5	111.5	Y318 Q377 D382 I383	Y318-R379 HydrophobicContact CD1-CB 3.39Å; Y318-R379 HydrophobicContact CD1-CG 3.8Å; Y318-R379 HydrophobicContact CD2-CG 4.27Å; Y318-R379 HydrophobicContact CE1-CB 3.19Å; Y318-R379 HydrophobicContact CE1-CG 3.43Å; Y318-R379 VanDerWaalsContact CE1-CG 3.43Å; Y318-R379 HydrophobicContact CE2-CG 3.94Å; Y318-R379 HydrophobicContact CG-CB 4.16Å; Y318-R379 HydrophobicContact CG-CG 4.18Å; Y318-R379 VanDerWaalsContact CZ-CG 3.48Å; Q377-R379 VanDerWaalsContact C-N 3.31Å; Q377-R379 PolarHBondContact O-N 2.83Å; R379-D382 PolarHBondContact O-N 3.01Å; R379-I383 WeakPolarHBondContact O-CD1 3.25Å; R379-I383 WeakPolarHBondContact O-CG1 3.41Å; R379-I383 PolarHBondContact O-N 3.27Å
380	L	81.3	Confident	84.7	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.016	21%	0.211	C	C	.	.	I	π-helix	trans	-64.8	-47.2	-173.7	-171.5	65.3	0	0	0	112.3	M321 F325 L339 Y375 I376 D382 I383 V384	M321-L380 HydrophobicContact CB-CD1 4.46Å; F325-L380 HydrophobicContact CD2-CD1 3.92Å; F325-L380 HydrophobicContact CE2-CD1 3.56Å; F325-L380 HydrophobicContact CZ-CD1 4.31Å; L339-L380 HydrophobicContact CB-CD2 4.44Å; L339-L380 HydrophobicContact CD1-CD2 4.39Å; L339-L380 HydrophobicContact CD1-CG 4.47Å; Y375-L380 HydrophobicContact CE1-CD2 3.97Å; Y375-L380 PolarHBondContact O-N 2.67Å; Y375-L380 VanDerWaalsContact O-N 3.13Å; I376-L380 PolarHBondContact O-N 3.25Å; L380-D382 VanDerWaalsContact C-N 3.27Å; L380-D382 PolarHBondContact O-N 3.29Å; L380-I383 WeakPolarHBondContact O-CB 3.24Å; L380-I383 PolarHBondContact O-N 3.41Å; L380-V384 HydrophobicContact CD1-CG2 4.49Å; L380-V384 WeakPolarHBondContact O-CG2 3.3Å; L380-V384 PolarHBondContact O-N 3.05Å
381	L	79.8	Confident	84.7	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-31.4	179.3	-64.5	-172.1	0	0	0	112.9	L339 I376 A385 Y391 L404	L339-L381 HydrophobicContact CD1-CD2 3.79Å; I376-L381 HydrophobicContact CG2-CD1 4.24Å; I376-L381 HydrophobicContact CG2-CD2 4.24Å; I376-L381 HydrophobicContact CG2-CG 3.99Å; I376-L381 WeakPolarHBondContact O-CG 3.5Å; I376-L381 PolarHBondContact O-N 3.04Å; L381-A385 WeakPolarHBondContact O-CB 3.32Å; L381-A385 PolarHBondContact O-N 2.92Å; L381-Y391 HydrophobicContact CD1-CE2 4.17Å; L381-Y391 HydrophobicContact CD2-CD1 4.43Å; L381-Y391 HydrophobicContact CD2-CD2 3.71Å; L381-Y391 HydrophobicContact CD2-CE1 4.14Å; L381-Y391 HydrophobicContact CD2-CE2 3.35Å; L381-Y391 HydrophobicContact CD2-CG 4.23Å; L381-Y391 HydrophobicContact CG-CE2 4.3Å; L381-L404 HydrophobicContact CD1-CD2 4.34Å
382	D	80.3	Confident	84.9	Confident	94 Å²	94	34.3 Å²	34.3	50%	0.503	19%	0.191	S	C	.	.	H	α-helix	trans	-72.2	-39.4	175	-73.8	-26.4	0	0	0	111.9	R379 L380 A386	R379-D382 PolarHBondContact O-N 3.01Å; L380-D382 VanDerWaalsContact C-N 3.27Å; L380-D382 PolarHBondContact O-N 3.29Å; D382-A386 PolarHBondContact O-N 3.22Å
383	I	82.8	Confident	85.1	Confident	22 Å²	22	34.3 Å²	34.3	11%	0.113	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-50.9	174.8	-72.9	165.4	0	0	0	110.5	M321 T322 F325 R379 L380 A385 A386	M321-I383 HydrophobicContact CB-CD1 4.09Å; T322-I383 WeakPolarHBondContact OG1-CD1 3.12Å; T322-I383 WeakPolarHBondContact OG1-CG1 3.35Å; F325-I383 HydrophobicContact CB-CG2 4.36Å; R379-I383 WeakPolarHBondContact O-CD1 3.25Å; R379-I383 WeakPolarHBondContact O-CG1 3.41Å; R379-I383 PolarHBondContact O-N 3.27Å; L380-I383 WeakPolarHBondContact O-CB 3.24Å; L380-I383 PolarHBondContact O-N 3.41Å; I383-A385 VanDerWaalsContact C-N 3.35Å; I383-A385 PolarHBondContact O-N 2.99Å; I383-A386 WeakPolarHBondContact O-CB 3.4Å; I383-A386 PolarHBondContact O-N 3.18Å
384	V	80.1	Confident	85.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.1	-37.3	-176.5	177.1	0	0	0	0	110.6	F325 L339 L380 A386 T387 Y391	F325-V384 HydrophobicContact CB-CG2 4.46Å; F325-V384 HydrophobicContact CD1-CG2 4.36Å; F325-V384 HydrophobicContact CG-CG2 4.22Å; L339-V384 HydrophobicContact CD1-CB 4.46Å; L339-V384 HydrophobicContact CD1-CG2 4.01Å; L339-V384 HydrophobicContact CD2-CG2 3.76Å; L380-V384 HydrophobicContact CD1-CG2 4.49Å; L380-V384 WeakPolarHBondContact O-CG2 3.3Å; L380-V384 PolarHBondContact O-N 3.05Å; V384-A386 PolarHBondContact O-N 3.49Å; V384-T387 WeakPolarHBondContact O-CA 3.2Å; V384-T387 WeakPolarHBondContact O-CB 3.26Å; V384-T387 PolarHBondContact O-N 3.34Å; V384-T387 PolarHBondContact O-OG1 2.84Å; V384-Y391 HydrophobicContact CG1-CD1 4.09Å
385	A	78.9	Confident	85.9	Confident	29 Å²	29	32.8 Å²	32.8	24%	0.24	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-26.9	176.1	0	0	0	0	0	113.8	L381 I383 T387 N388	L381-A385 WeakPolarHBondContact O-CB 3.32Å; L381-A385 PolarHBondContact O-N 2.92Å; I383-A385 VanDerWaalsContact C-N 3.35Å; I383-A385 PolarHBondContact O-N 2.99Å; A385-T387 PolarHBondContact O-N 3.43Å; A385-N388 PolarHBondContact O-N 2.83Å
386	A	84.8	Confident	86.1	Confident	82 Å²	82	33.9 Å²	33.9	68%	0.678	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.4	172.4	0	0	0	0	0	113.1	D382 I383 V384	D382-A386 PolarHBondContact O-N 3.22Å; I383-A386 WeakPolarHBondContact O-CB 3.4Å; I383-A386 PolarHBondContact O-N 3.18Å; V384-A386 PolarHBondContact O-N 3.49Å
387	T	85.6	Confident	86.4	Confident	27 Å²	27	33.7 Å²	33.7	17%	0.166	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.9	176.9	74.5	0	0	0	0	113.8	V384 A385 K389	V384-T387 WeakPolarHBondContact O-CA 3.2Å; V384-T387 WeakPolarHBondContact O-CB 3.26Å; V384-T387 PolarHBondContact O-N 3.34Å; V384-T387 PolarHBondContact O-OG1 2.84Å; A385-T387 PolarHBondContact O-N 3.43Å; T387-K389 PolarHBondContact O-N 3.35Å; T387-K389 WeakPolarHBondContact OG1-CB 3.45Å; T387-K389 WeakPolarHBondContact OG1-CG 3.46Å
388	N	88.8	Confident	87.2	Confident	155 Å²	155	33 Å²	33	83%	0.829	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	22.7	-172.8	-57.3	-49	0	0	0	114.5	A385	A385-N388 PolarHBondContact O-N 2.83Å
389	K	91.4	Very high	88.3	Confident	31 Å²	31	33.3 Å²	33.3	14%	0.135	19%	0.185	C	C	.	.			trans	-97.3	142.1	172	-61.1	-72.5	-171.4	167.1	0	109.9	S329 F332 P333 D334 A335 I337 T387	S329-K389 VanDerWaalsContact O-CE 3.28Å; S329-K389 WeakPolarHBondContact O-CE 3.33Å; F332-K389 PolarHBondContact O-NZ 3.01Å; P333-K389 PolarHBondContact O-NZ 2.92Å; D334-K389 WeakPolarHBondContact O-CD 3.35Å; D334-K389 PolarHBondContact O-NZ 2.95Å; A335-K389 CarbonylContact O-C 3.56Å; A335-K389 WeakPolarHBondContact O-CA 3.44Å; I337-K389 HydrophobicContact CD1-CB 4.23Å; I337-K389 HydrophobicContact CD1-CG 4.02Å; I337-K389 HydrophobicContact CG1-CB 4.49Å; T387-K389 PolarHBondContact O-N 3.35Å; T387-K389 WeakPolarHBondContact OG1-CB 3.45Å; T387-K389 WeakPolarHBondContact OG1-CG 3.46Å
390	G	92.4	Very high	88.7	Confident	11 Å²	11	30.7 Å²	30.7	11%	0.113	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	169.7	161.8	0	0	0	0	0	110.3	A335 Y336 I337	A335-G390 PolarHBondContact O-N 2.85Å; Y336-G390 WeakPolarHBondContact CA-O 3.44Å; I337-G390 PolarHBondContact N-O 3.42Å; I337-G390 VanDerWaalsContact N-O 3.16Å
391	Y	90.9	Very high	88.9	Confident	3 Å²	3	33.4 Å²	33.4	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.6	179.7	48	-92.9	0	0	0	113.1	I337 L339 L381 V384 K405 T408 V409	I337-Y391 VanDerWaalsContact O-CA 3.24Å; I337-Y391 WeakPolarHBondContact O-CA 3.47Å; L339-Y391 HydrophobicContact CD1-CD2 4.16Å; L339-Y391 HydrophobicContact CD1-CG 3.87Å; L381-Y391 HydrophobicContact CD1-CE2 4.17Å; L381-Y391 HydrophobicContact CD2-CD1 4.43Å; L381-Y391 HydrophobicContact CD2-CD2 3.71Å; L381-Y391 HydrophobicContact CD2-CE1 4.14Å; L381-Y391 HydrophobicContact CD2-CE2 3.35Å; L381-Y391 HydrophobicContact CD2-CG 4.23Å; L381-Y391 HydrophobicContact CG-CE2 4.3Å; V384-Y391 HydrophobicContact CG1-CD1 4.09Å; Y391-K405 HydrophobicContact CE1-CD 4.39Å; Y391-K405 WeakPolarHBondContact OH-CB 3.32Å; Y391-K405 VanDerWaalsContact OH-CD 3.3Å; Y391-K405 WeakPolarHBondContact OH-CD 3.36Å; Y391-K405 WeakPolarHBondContact OH-CG 3.22Å; Y391-T408 HydrophobicContact CD2-CG2 3.71Å; Y391-T408 HydrophobicContact CE2-CG2 3.47Å; Y391-T408 VanDerWaalsContact CE2-CG2 3.47Å; Y391-T408 WeakPolarHBondContact CE2-OG1 3.3Å; Y391-T408 PolarHBondContact OH-OG1 3.47Å; Y391-V409 PolarHBondContact O-N 3.13Å; Y391-V409 VanDerWaalsContact O-N 3.1Å
392	I	96.6	Very high	89.2	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.2	175.4	-43.5	-178.4	0	0	0	107.3	V274 Y336 I337 H338 L339 V409 H411 I433	V274-I392 HydrophobicContact CG1-CD1 4.04Å; Y336-I392 HydrophobicContact CD1-CG1 4.1Å; Y336-I392 HydrophobicContact CG-CG1 4.36Å; I337-I392 PolarHBondContact O-N 3.49Å; H338-I392 WeakPolarHBondContact CA-O 3.31Å; H338-I392 HydrophobicContact CB-CB 4.36Å; H338-I392 VanDerWaalsContact CD2-CB 3.45Å; H338-I392 WeakPolarHBondContact CD2-CB 3.5Å; H338-I392 WeakPolarHBondContact CD2-CG2 3.31Å; H338-I392 WeakPolarHBondContact NE2-CG2 3.33Å; L339-I392 PolarHBondContact N-O 3.27Å; I392-V409 WeakPolarHBondContact CA-O 3.43Å; I392-V409 HydrophobicContact CB-CB 4.44Å; I392-V409 HydrophobicContact CG1-CB 4.13Å; I392-V409 HydrophobicContact CG2-CB 4.18Å; I392-V409 HydrophobicContact CG2-CG1 4.18Å; I392-H411 HydrophobicContact CG2-CB 4.12Å; I392-I433 HydrophobicContact CD1-CD1 4.17Å; I392-I433 HydrophobicContact CG2-CD1 4.33Å
393	I	96.1	Very high	89.5	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.3	-179.8	46	157.1	0	0	0	109.9	L339 V397 L404 T408 V409 V410 H411	L339-I393 HydrophobicContact CB-CG2 4.21Å; I393-V397 HydrophobicContact CB-CB 4.3Å; I393-V397 HydrophobicContact CB-CG2 4.14Å; I393-V397 HydrophobicContact CD1-CB 3.65Å; I393-V397 HydrophobicContact CD1-CG1 3.74Å; I393-V397 HydrophobicContact CD1-CG2 4.42Å; I393-V397 HydrophobicContact CG2-CG2 4.37Å; I393-L404 HydrophobicContact CD1-CD1 3.63Å; I393-L404 HydrophobicContact CD1-CD2 3.54Å; I393-L404 HydrophobicContact CD1-CG 4.22Å; I393-T408 HydrophobicContact CD1-CG2 3.84Å; I393-T408 HydrophobicContact CG1-CG2 3.76Å; I393-V409 WeakPolarHBondContact CG1-O 3.33Å; I393-V409 PolarHBondContact N-O 2.9Å; I393-V409 VanDerWaalsContact N-O 3.09Å; I393-V410 HydrophobicContact CD1-CG2 4.23Å; I393-V410 HydrophobicContact CG1-CG2 4.48Å; I393-H411 WeakPolarHBondContact O-CB 3.42Å; I393-H411 PolarHBondContact O-N 2.93Å
394	W	97.6	Very high	89.7	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	158.8	166.7	-64.8	122.2	0	0	0	111.2	L193 E276 H338 G340 D342 E396 V397 H411 W413 W479	L193-W394 HydrophobicContact CD1-CH2 3.9Å; L193-W394 HydrophobicContact CD1-CZ2 3.82Å; E276-W394 PolarHBondContact OE1-NE1 3.08Å; H338-W394 AromaticContact CE1-CD1 3.71Å; H338-W394 AromaticContact CE1-CD2 3.69Å; H338-W394 AromaticContact CE1-CE2 3.46Å; H338-W394 VanDerWaalsContact CE1-CE2 3.46Å; H338-W394 AromaticContact CE1-CG 3.82Å; H338-W394 AromaticContact CE1-NE1 3.42Å; H338-W394 PolarHBondContact CE1-NE1 2.98Å; H338-W394 AromaticContact ND1-NE1 4Å; H338-W394 AromaticContact NE2-CE2 3.99Å; G340-W394 PolarHBondContact O-N 3.07Å; D342-W394 HydrophobicContact CB-CB 3.86Å; D342-W394 HydrophobicContact CB-CG 3.85Å; W394-E396 PolarHBondContact O-N 2.84Å; W394-V397 PolarHBondContact O-N 3.11Å; W394-H411 HydrophobicContact CE3-CB 3.7Å; W394-H411 AromaticContact CE3-CG 3.61Å; W394-H411 AromaticContact CE3-ND1 3.66Å; W394-H411 AromaticContact CH2-CE1 3.32Å; W394-H411 WeakPolarHBondContact CH2-CE1 3.36Å; W394-H411 AromaticContact CH2-ND1 3.32Å; W394-H411 VanDerWaalsContact CH2-ND1 3.32Å; W394-H411 WeakPolarHBondContact CH2-ND1 3.27Å; W394-H411 HydrophobicContact CZ3-CB 3.94Å; W394-H411 AromaticContact CZ3-CD2 3.62Å; W394-H411 AromaticContact CZ3-CE1 3.26Å; W394-H411 WeakPolarHBondContact CZ3-CE1 3.43Å; W394-H411 AromaticContact CZ3-CG 3.28Å; W394-H411 AromaticContact CZ3-ND1 3.05Å; W394-H411 WeakPolarHBondContact CZ3-ND1 3.31Å; W394-H411 AromaticContact CZ3-NE2 3.62Å; W394-W413 HydrophobicContact CE3-CB 3.87Å; W394-W413 AromaticContact CE3-CD1 3.49Å; W394-W413 VanDerWaalsContact CE3-CD1 3.49Å; W394-W413 AromaticContact CE3-CG 3.89Å; W394-W413 HydrophobicContact CE3-CG 3.89Å; W394-W413 HydrophobicContact CZ3-CB 3.69Å; W394-W413 HydrophobicContact CZ3-CG 4.15Å; W394-W479 HydrophobicContact CH2-CZ2 4.23Å; W394-W479 HydrophobicContact CZ2-CH2 4Å; W394-W479 AromaticContact CZ2-CZ2 3.88Å; W394-W479 HydrophobicContact CZ2-CZ2 3.88Å
395	Q	95.8	Very high	90.1	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.028	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-26.8	-169.6	64.3	172.5	85.8	0	0	114.5	V397 F398 D399 V410 H411 W413 I414	Q395-V397 PolarHBondContact O-N 3.19Å; Q395-F398 WeakPolarHBondContact O-CA 2.96Å; Q395-F398 WeakPolarHBondContact O-CB 3.25Å; Q395-F398 PolarHBondContact O-N 3.09Å; Q395-D399 PolarHBondContact NE2-OD2 3.45Å; Q395-D399 PolarHBondContact O-N 3.28Å; Q395-V410 HydrophobicContact CB-CG1 4.39Å; Q395-H411 PolarHBondContact N-O 2.96Å; Q395-H411 VanDerWaalsContact N-O 3.13Å; Q395-W413 VanDerWaalsContact OE1-N 3.07Å; Q395-I414 VanDerWaalsContact CD-CG1 3.45Å; Q395-I414 HydrophobicContact CG-CD1 4.08Å; Q395-I414 HydrophobicContact CG-CG1 4.13Å
396	E	93.9	Very high	90.6	Very high	24 Å²	24	43.5 Å²	43.5	11%	0.112	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-35.5	-176.6	-69.4	95.5	130.8	0	0	112.2	D342 E343 W394 F398 D399 N400 W413	D342-E396 WeakPolarHBondContact CA-OE1 3.2Å; D342-E396 WeakPolarHBondContact CB-OE1 3.48Å; E343-E396 PolarHBondContact N-OE1 2.95Å; E343-E396 VanDerWaalsContact N-OE1 3.08Å; W394-E396 PolarHBondContact O-N 2.84Å; E396-F398 VanDerWaalsContact C-N 3.27Å; E396-F398 PolarHBondContact O-N 3.48Å; E396-D399 PolarHBondContact O-N 3.18Å; E396-N400 VanDerWaalsContact O-CB 3.26Å; E396-N400 WeakPolarHBondContact O-CB 3.49Å; E396-N400 VanDerWaalsContact O-CG 3.25Å; E396-N400 PolarHBondContact O-N 2.83Å; E396-N400 PolarHBondContact O-ND2 3.08Å; E396-W413 WeakPolarHBondContact OE1-CZ2 3.29Å; E396-W413 PolarHBondContact OE1-NE1 2.71Å; E396-W413 PolarHBondContact OE2-NE1 3.1Å
397	V	91.8	Very high	90.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-40.8	176.3	-174.7	0	0	0	0	110.5	I376 I393 W394 Q395 V402 L404	I376-V397 HydrophobicContact CD1-CB 4.29Å; I376-V397 HydrophobicContact CD1-CG1 3.84Å; I376-V397 HydrophobicContact CD1-CG2 3.63Å; I376-V397 HydrophobicContact CG2-CG1 3.8Å; I393-V397 HydrophobicContact CB-CB 4.3Å; I393-V397 HydrophobicContact CB-CG2 4.14Å; I393-V397 HydrophobicContact CD1-CB 3.65Å; I393-V397 HydrophobicContact CD1-CG1 3.74Å; I393-V397 HydrophobicContact CD1-CG2 4.42Å; I393-V397 HydrophobicContact CG2-CG2 4.37Å; W394-V397 PolarHBondContact O-N 3.11Å; Q395-V397 PolarHBondContact O-N 3.19Å; V397-V402 HydrophobicContact CG1-CB 3.84Å; V397-V402 HydrophobicContact CG1-CG1 4Å; V397-V402 HydrophobicContact CG1-CG2 3.8Å; V397-V402 WeakPolarHBondContact O-CB 3.46Å; V397-V402 WeakPolarHBondContact O-CG2 3.47Å; V397-V402 PolarHBondContact O-N 3.04Å; V397-L404 HydrophobicContact CG1-CD2 3.91Å
398	F	93.8	Very high	91.2	Very high	36 Å²	36	42.6 Å²	42.6	16%	0.158	24%	0.236	C	C	.	.	H	α-helix	trans	-70.3	-46.4	173.6	174.9	-97.6	0	0	0	111.5	Q395 E396 N400 G401 L404 V410 K424 V425 A428 Y430	Q395-F398 WeakPolarHBondContact O-CA 2.96Å; Q395-F398 WeakPolarHBondContact O-CB 3.25Å; Q395-F398 PolarHBondContact O-N 3.09Å; E396-F398 VanDerWaalsContact C-N 3.27Å; E396-F398 PolarHBondContact O-N 3.48Å; F398-N400 VanDerWaalsContact C-N 3.26Å; F398-N400 PolarHBondContact O-N 2.84Å; F398-G401 PolarHBondContact O-N 3.06Å; F398-L404 HydrophobicContact CB-CD1 4.23Å; F398-L404 HydrophobicContact CD2-CD1 4.06Å; F398-V410 HydrophobicContact CB-CG1 4.11Å; F398-V410 HydrophobicContact CB-CG2 4.36Å; F398-K424 HydrophobicContact CE1-CB 4.04Å; F398-K424 HydrophobicContact CZ-CB 4.36Å; F398-V425 HydrophobicContact CD1-CG2 3.72Å; F398-V425 HydrophobicContact CE1-CG2 3.7Å; F398-V425 HydrophobicContact CG-CG2 4.19Å; F398-V425 HydrophobicContact CZ-CG2 4.16Å; F398-A428 HydrophobicContact CE2-CB 3.72Å; F398-A428 HydrophobicContact CZ-CB 3.94Å; F398-Y430 HydrophobicContact CD2-CD2 4.05Å; F398-Y430 HydrophobicContact CD2-CE2 4.12Å; F398-Y430 AromaticContact CE2-CD2 3.81Å; F398-Y430 HydrophobicContact CE2-CD2 3.81Å; F398-Y430 AromaticContact CE2-CE2 3.87Å; F398-Y430 HydrophobicContact CE2-CE2 3.87Å
399	D	92.3	Very high	91.6	Very high	66 Å²	66	35.4 Å²	35.4	35%	0.353	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-34	-178.2	-71.2	-29.2	0	0	0	112.8	Q395 E396 G401 E421	Q395-D399 PolarHBondContact NE2-OD2 3.45Å; Q395-D399 PolarHBondContact O-N 3.28Å; E396-D399 PolarHBondContact O-N 3.18Å; D399-G401 PolarHBondContact O-N 3.13Å; D399-E421 VanDerWaalsContact OD1-CD 3.29Å
400	N	88.1	Confident	91.9	Very high	48 Å²	48	33.9 Å²	33.9	26%	0.257	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1.8	178.1	-69.5	-27.3	0	0	0	113.5	R369 E372 E396 F398	R369-N400 HydrophobicContact CB-CB 4.46Å; E372-N400 PolarHBondContact OE2-ND2 3.12Å; E396-N400 VanDerWaalsContact O-CB 3.26Å; E396-N400 WeakPolarHBondContact O-CB 3.49Å; E396-N400 VanDerWaalsContact O-CG 3.25Å; E396-N400 PolarHBondContact O-N 2.83Å; E396-N400 PolarHBondContact O-ND2 3.08Å; F398-N400 VanDerWaalsContact C-N 3.26Å; F398-N400 PolarHBondContact O-N 2.84Å
401	G	86	Confident	92.2	Very high	59 Å²	59	33.4 Å²	33.4	61%	0.608	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	23.3	171.8	0	0	0	0	0	114.3	F398 D399	F398-G401 PolarHBondContact O-N 3.06Å; D399-G401 PolarHBondContact O-N 3.13Å
402	V	86	Confident	92.5	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.048	19%	0.185	C	C	.	.			trans	-62.7	135.6	174.8	179.6	0	0	0	0	109.6	S373 I376 Q377 V397 L404	S373-V402 WeakPolarHBondContact OG-CG2 3.5Å; I376-V402 HydrophobicContact CG2-CG1 4.22Å; Q377-V402 HydrophobicContact CB-CG1 3.91Å; Q377-V402 HydrophobicContact CG-CG1 4.19Å; V397-V402 HydrophobicContact CG1-CB 3.84Å; V397-V402 HydrophobicContact CG1-CG1 4Å; V397-V402 HydrophobicContact CG1-CG2 3.8Å; V397-V402 WeakPolarHBondContact O-CB 3.46Å; V397-V402 WeakPolarHBondContact O-CG2 3.47Å; V397-V402 PolarHBondContact O-N 3.04Å; V402-L404 HydrophobicContact CB-CD2 4.23Å; V402-L404 HydrophobicContact CG1-CD2 3.92Å; V402-L404 PolarHBondContact O-N 3.29Å; V402-L404 VanDerWaalsContact O-N 3.13Å
403	K	85.4	Confident	92.5	Very high	157 Å²	157	34.7 Å²	34.7	68%	0.683	19%	0.19	S	C	*	.			trans	-77.3	102.8	172.9	-58.9	-176	-179	179.5	0	109.9	Q377	Q377-K403 HydrophobicContact CG-CB 4.25Å; Q377-K403 VanDerWaalsContact OE1-N 3.17Å
404	L	88.6	Confident	92.3	Very high	15 Å²	15	37.4 Å²	37.4	8%	0.079	20%	0.204	C	C	.	.			trans	-83.4	159	178	-52.2	175	0	0	0	111	L381 I393 V397 F398 V402 T408 V410 Y430	L381-L404 HydrophobicContact CD1-CD2 4.34Å; I393-L404 HydrophobicContact CD1-CD1 3.63Å; I393-L404 HydrophobicContact CD1-CD2 3.54Å; I393-L404 HydrophobicContact CD1-CG 4.22Å; V397-L404 HydrophobicContact CG1-CD2 3.91Å; F398-L404 HydrophobicContact CB-CD1 4.23Å; F398-L404 HydrophobicContact CD2-CD1 4.06Å; V402-L404 HydrophobicContact CB-CD2 4.23Å; V402-L404 HydrophobicContact CG1-CD2 3.92Å; V402-L404 PolarHBondContact O-N 3.29Å; V402-L404 VanDerWaalsContact O-N 3.13Å; L404-T408 HydrophobicContact CB-CG2 4.28Å; L404-T408 HydrophobicContact CD1-CG2 4.16Å; L404-T408 HydrophobicContact CD2-CG2 4.36Å; L404-V410 HydrophobicContact CD1-CG2 3.94Å; L404-Y430 HydrophobicContact CB-CD1 4.46Å; L404-Y430 HydrophobicContact CB-CE1 3.69Å; L404-Y430 HydrophobicContact CB-CE2 4.49Å; L404-Y430 HydrophobicContact CD1-CD2 4.45Å; L404-Y430 HydrophobicContact CD1-CE1 4.45Å; L404-Y430 HydrophobicContact CD1-CE2 4.25Å; L404-Y430 PolarHBondContact O-OH 3.36Å
405	K	87.3	Confident	91.3	Very high	68 Å²	68	39.8 Å²	39.8	30%	0.296	23%	0.228	S	C	.	.			trans	-79.9	149.8	169.8	-65.1	-178.4	-173	-171.6	0	109.5	Y391 D407 T408 Y430	Y391-K405 HydrophobicContact CE1-CD 4.39Å; Y391-K405 WeakPolarHBondContact OH-CB 3.32Å; Y391-K405 VanDerWaalsContact OH-CD 3.3Å; Y391-K405 WeakPolarHBondContact OH-CD 3.36Å; Y391-K405 WeakPolarHBondContact OH-CG 3.22Å; K405-D407 WeakPolarHBondContact CB-OD1 3.49Å; K405-D407 PolarHBondContact O-N 3.44Å; K405-T408 PolarHBondContact N-OG1 3.07Å; K405-T408 WeakPolarHBondContact O-CB 3.43Å; K405-T408 PolarHBondContact O-N 3.01Å; K405-T408 PolarHBondContact O-OG1 2.94Å; K405-Y430 WeakPolarHBondContact O-CE1 3.5Å
406	P	89	Confident	90.4	Very high	113 Å²	113	45 Å²	45	73%	0.734	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.5	-175.5	-26.8	35.6	0	0	0	115.3
407	D	89.1	Confident	90	Very high	90 Å²	90	45.9 Å²	45.9	48%	0.481	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.2	179.3	61.1	-29.5	0	0	0	114.2	K405	K405-D407 WeakPolarHBondContact CB-OD1 3.49Å; K405-D407 PolarHBondContact O-N 3.44Å
408	T	93.7	Very high	89.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-66.9	138.8	175.3	-51.2	0	0	0	0	110.8	Y391 I393 L404 K405	Y391-T408 HydrophobicContact CD2-CG2 3.71Å; Y391-T408 HydrophobicContact CE2-CG2 3.47Å; Y391-T408 VanDerWaalsContact CE2-CG2 3.47Å; Y391-T408 WeakPolarHBondContact CE2-OG1 3.3Å; Y391-T408 PolarHBondContact OH-OG1 3.47Å; I393-T408 HydrophobicContact CD1-CG2 3.84Å; I393-T408 HydrophobicContact CG1-CG2 3.76Å; L404-T408 HydrophobicContact CB-CG2 4.28Å; L404-T408 HydrophobicContact CD1-CG2 4.16Å; L404-T408 HydrophobicContact CD2-CG2 4.36Å; K405-T408 PolarHBondContact N-OG1 3.07Å; K405-T408 WeakPolarHBondContact O-CB 3.43Å; K405-T408 PolarHBondContact O-N 3.01Å; K405-T408 PolarHBondContact O-OG1 2.94Å
409	V	97.3	Very high	89.8	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129	171.5	-175.5	0	0	0	0	109.6	Y336 Y391 I392 I393 T431 I433 I472	Y336-V409 HydrophobicContact CD1-CG2 4.29Å; Y336-V409 HydrophobicContact CE1-CG2 3.77Å; Y391-V409 PolarHBondContact O-N 3.13Å; Y391-V409 VanDerWaalsContact O-N 3.1Å; I392-V409 WeakPolarHBondContact CA-O 3.43Å; I392-V409 HydrophobicContact CB-CB 4.44Å; I392-V409 HydrophobicContact CG1-CB 4.13Å; I392-V409 HydrophobicContact CG2-CB 4.18Å; I392-V409 HydrophobicContact CG2-CG1 4.18Å; I393-V409 WeakPolarHBondContact CG1-O 3.33Å; I393-V409 PolarHBondContact N-O 2.9Å; I393-V409 VanDerWaalsContact N-O 3.09Å; V409-T431 WeakPolarHBondContact CA-O 3.3Å; V409-T431 HydrophobicContact CG1-CG2 4.18Å; V409-T431 HydrophobicContact CG2-CG2 4.05Å; V409-I433 HydrophobicContact CG1-CD1 3.53Å; V409-I433 HydrophobicContact CG1-CG1 3.74Å; V409-I472 HydrophobicContact CG1-CD1 4.28Å
410	V	98	Very high	89.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124	178.6	-176.9	0	0	0	0	110.2	I393 Q395 F398 L404 V425 T431 T432 I433	I393-V410 HydrophobicContact CD1-CG2 4.23Å; I393-V410 HydrophobicContact CG1-CG2 4.48Å; Q395-V410 HydrophobicContact CB-CG1 4.39Å; F398-V410 HydrophobicContact CB-CG1 4.11Å; F398-V410 HydrophobicContact CB-CG2 4.36Å; L404-V410 HydrophobicContact CD1-CG2 3.94Å; V410-V425 HydrophobicContact CB-CG1 3.72Å; V410-V425 HydrophobicContact CB-CG2 4.35Å; V410-V425 HydrophobicContact CG1-CG1 4.23Å; V410-V425 HydrophobicContact CG1-CG2 3.93Å; V410-V425 HydrophobicContact CG2-CG1 3.97Å; V410-T431 PolarHBondContact N-O 2.84Å; V410-T432 WeakPolarHBondContact O-CA 3.4Å; V410-T432 WeakPolarHBondContact O-CB 3.34Å; V410-T432 PolarHBondContact O-OG1 2.95Å; V410-I433 PolarHBondContact O-N 3.35Å; V410-I433 VanDerWaalsContact O-N 3.07Å
411	H	98.6	Very high	90.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.9	-179	-162.2	173.3	0	0	0	110.5	H338 I392 I393 W394 Q395 I433 S435 E475	H338-H411 AromaticContact NE2-ND1 3.45Å; H338-H411 PolarHBondContact NE2-ND1 2.98Å; I392-H411 HydrophobicContact CG2-CB 4.12Å; I393-H411 WeakPolarHBondContact O-CB 3.42Å; I393-H411 PolarHBondContact O-N 2.93Å; W394-H411 HydrophobicContact CE3-CB 3.7Å; W394-H411 AromaticContact CE3-CG 3.61Å; W394-H411 AromaticContact CE3-ND1 3.66Å; W394-H411 AromaticContact CH2-CE1 3.32Å; W394-H411 WeakPolarHBondContact CH2-CE1 3.36Å; W394-H411 AromaticContact CH2-ND1 3.32Å; W394-H411 VanDerWaalsContact CH2-ND1 3.32Å; W394-H411 WeakPolarHBondContact CH2-ND1 3.27Å; W394-H411 HydrophobicContact CZ3-CB 3.94Å; W394-H411 AromaticContact CZ3-CD2 3.62Å; W394-H411 AromaticContact CZ3-CE1 3.26Å; W394-H411 WeakPolarHBondContact CZ3-CE1 3.43Å; W394-H411 AromaticContact CZ3-CG 3.28Å; W394-H411 AromaticContact CZ3-ND1 3.05Å; W394-H411 WeakPolarHBondContact CZ3-ND1 3.31Å; W394-H411 AromaticContact CZ3-NE2 3.62Å; Q395-H411 PolarHBondContact N-O 2.96Å; Q395-H411 VanDerWaalsContact N-O 3.13Å; H411-I433 PolarHBondContact CD2-O 3.17Å; H411-S435 PolarHBondContact CD2-OG 3.22Å; H411-S435 WeakPolarHBondContact NE2-CB 3.48Å; H411-S435 PolarHBondContact NE2-OG 3.05Å; H411-E475 IonicContact CE1-OE2 3.86Å; H411-E475 PolarHBondContact CE1-OE2 3.31Å; H411-E475 IonicContact NE2-OE2 2.72Å
412	V	97.9	Very high	90.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.7	-176.3	177.9	0	0	0	0	110.3	E421 I422 V425 I433 L434 S435 A436	V412-E421 HydrophobicContact CG1-CB 3.99Å; V412-E421 HydrophobicContact CG1-CG 4.28Å; V412-E421 HydrophobicContact CG2-CG 4.38Å; V412-I422 HydrophobicContact CB-CG1 4.44Å; V412-I422 HydrophobicContact CG1-CG1 4.41Å; V412-I422 HydrophobicContact CG2-CG1 4.24Å; V412-V425 HydrophobicContact CG2-CG2 4.45Å; V412-I433 PolarHBondContact N-O 3.3Å; V412-L434 HydrophobicContact CG1-CD1 4.43Å; V412-S435 PolarHBondContact O-N 3.06Å; V412-S435 PolarHBondContact O-OG 3.21Å; V412-A436 PolarHBondContact O-N 3.06Å; V412-A436 VanDerWaalsContact O-N 3.14Å
413	W	96.4	Very high	91	Very high	33 Å²	33	44.5 Å²	44.5	13%	0.125	27%	0.269	C	S	.	.			trans	-127.9	-21.2	-170.4	79.7	-96.4	0	0	0	114.1	E343 W394 Q395 E396 G415 A436 Y439	E343-W413 HydrophobicContact CG-CH2 4.23Å; E343-W413 HydrophobicContact CG-CZ2 3.98Å; E343-W413 WeakPolarHBondContact OE1-CH2 3.32Å; W394-W413 HydrophobicContact CE3-CB 3.87Å; W394-W413 AromaticContact CE3-CD1 3.49Å; W394-W413 VanDerWaalsContact CE3-CD1 3.49Å; W394-W413 AromaticContact CE3-CG 3.89Å; W394-W413 HydrophobicContact CE3-CG 3.89Å; W394-W413 HydrophobicContact CZ3-CB 3.69Å; W394-W413 HydrophobicContact CZ3-CG 4.15Å; Q395-W413 VanDerWaalsContact OE1-N 3.07Å; E396-W413 WeakPolarHBondContact OE1-CZ2 3.29Å; E396-W413 PolarHBondContact OE1-NE1 2.71Å; E396-W413 PolarHBondContact OE2-NE1 3.1Å; W413-G415 PolarHBondContact O-N 3.02Å; W413-A436 VanDerWaalsContact C-CB 3.41Å; W413-A436 WeakPolarHBondContact O-CA 3.43Å; W413-A436 VanDerWaalsContact O-CB 3.25Å; W413-A436 WeakPolarHBondContact O-CB 3.29Å; W413-Y439 HydrophobicContact CB-CE2 4.09Å; W413-Y439 WeakPolarHBondContact CB-OH 3.32Å; W413-Y439 HydrophobicContact CE3-CE1 4.02Å; W413-Y439 HydrophobicContact CE3-CE2 4.36Å; W413-Y439 AromaticContact CE3-CZ 3.56Å; W413-Y439 HydrophobicContact CZ3-CE1 4.33Å
414	I	91.3	Very high	91.5	Very high	59 Å²	59	41.8 Å²	41.8	30%	0.303	26%	0.257	S	S	.	.			trans	-73.5	115.1	-179.7	-60.6	-178.7	0	0	0	109.3	Q395 S416	Q395-I414 VanDerWaalsContact CD-CG1 3.45Å; Q395-I414 HydrophobicContact CG-CD1 4.08Å; Q395-I414 HydrophobicContact CG-CG1 4.13Å; I414-S416 PolarHBondContact O-N 3.38Å
415	G	77.8	Confident	91.8	Very high	50 Å²	50	41.1 Å²	41.1	52%	0.515	25%	0.254	S	S	.	.	S	Bend	trans	-59.2	-38.7	-173.4	0	0	0	0	0	114.8	W413 G417	W413-G415 PolarHBondContact O-N 3.02Å; G415-G417 PolarHBondContact O-N 2.98Å
416	S	77.3	Confident	92.2	Very high	115 Å²	115	38 Å²	38	80%	0.804	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	109.5	179.5	178.9	0	0	0	0	111	I414	I414-S416 PolarHBondContact O-N 3.38Å
417	G	84.4	Confident	92.5	Very high	44 Å²	44	35.8 Å²	35.8	45%	0.454	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	17.6	173.6	0	0	0	0	0	115.1	G415 N419 S420 E421	G415-G417 PolarHBondContact O-N 2.98Å; G417-N419 PolarHBondContact O-N 2.87Å; G417-N419 VanDerWaalsContact O-N 3.13Å; G417-S420 WeakPolarHBondContact O-CA 3.19Å; G417-S420 WeakPolarHBondContact O-CB 3.44Å; G417-S420 PolarHBondContact O-N 3.02Å; G417-E421 PolarHBondContact O-N 2.84Å
418	S	90	Very high	92.8	Very high	18 Å²	18	34 Å²	34	13%	0.126	23%	0.229	C	C	.	.	H	α-helix	trans	-49.2	-38.6	178.2	58.4	0	0	0	0	114.1	S420 E421 I422	S418-S420 VanDerWaalsContact C-N 3.34Å; S418-S420 PolarHBondContact O-N 3.31Å; S418-E421 PolarHBondContact O-N 3.38Å; S418-E421 VanDerWaalsContact O-N 3.15Å; S418-I422 WeakPolarHBondContact O-CG1 3.47Å; S418-I422 PolarHBondContact O-N 2.78Å
419	N	91.8	Very high	92.8	Very high	69 Å²	69	36 Å²	36	37%	0.369	25%	0.25	S	S	.	.	H	α-helix	trans	-62.8	-38	174.6	-69.2	-11.5	0	0	0	113	G417 E421 S423 N459 F460	G417-N419 PolarHBondContact O-N 2.87Å; G417-N419 VanDerWaalsContact O-N 3.13Å; N419-E421 VanDerWaalsContact C-N 3.33Å; N419-S423 PolarHBondContact O-N 3.18Å; N419-S423 VanDerWaalsContact O-N 3.15Å; N419-S423 PolarHBondContact O-OG 2.87Å; N419-N459 PolarHBondContact ND2-O 3.5Å; N419-N459 VanDerWaalsContact ND2-O 3.17Å; N419-F460 HydrophobicContact CB-CB 4.07Å; N419-F460 WeakPolarHBondContact O-CB 3.33Å
420	S	92.6	Very high	92.8	Very high	65 Å²	65	37.6 Å²	37.6	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-40.5	174.1	-171.9	0	0	0	0	110.1	G417 S418 S423 K424	G417-S420 WeakPolarHBondContact O-CA 3.19Å; G417-S420 WeakPolarHBondContact O-CB 3.44Å; G417-S420 PolarHBondContact O-N 3.02Å; S418-S420 VanDerWaalsContact C-N 3.34Å; S418-S420 PolarHBondContact O-N 3.31Å; S420-S423 VanDerWaalsContact O-CB 3.29Å; S420-S423 WeakPolarHBondContact O-CB 3.3Å; S420-S423 PolarHBondContact O-N 3.23Å; S420-K424 WeakPolarHBondContact O-CG 3.42Å; S420-K424 PolarHBondContact O-N 2.84Å
421	E	95.1	Very high	92.8	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-47.6	-179.3	-152.5	50.9	-114	0	0	112.3	D399 V412 G417 S418 N419 S423 K424 V425	D399-E421 VanDerWaalsContact OD1-CD 3.29Å; V412-E421 HydrophobicContact CG1-CB 3.99Å; V412-E421 HydrophobicContact CG1-CG 4.28Å; V412-E421 HydrophobicContact CG2-CG 4.38Å; G417-E421 PolarHBondContact O-N 2.84Å; S418-E421 PolarHBondContact O-N 3.38Å; S418-E421 VanDerWaalsContact O-N 3.15Å; N419-E421 VanDerWaalsContact C-N 3.33Å; E421-S423 PolarHBondContact O-N 2.9Å; E421-K424 PolarHBondContact O-N 2.73Å; E421-K424 IonicContact OE1-NZ 3.86Å; E421-K424 IonicContact OE2-NZ 2.87Å; E421-K424 PolarHBondContact OE2-NZ 2.76Å; E421-V425 WeakPolarHBondContact O-CG2 3.39Å; E421-V425 PolarHBondContact O-N 3.22Å
422	I	95.1	Very high	92.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-53.6	-42	170.6	-69.5	169.7	0	0	0	110.6	V412 S418 K424 T426 T432 L434 F460 V471	V412-I422 HydrophobicContact CB-CG1 4.44Å; V412-I422 HydrophobicContact CG1-CG1 4.41Å; V412-I422 HydrophobicContact CG2-CG1 4.24Å; S418-I422 WeakPolarHBondContact O-CG1 3.47Å; S418-I422 PolarHBondContact O-N 2.78Å; I422-K424 PolarHBondContact O-N 3.1Å; I422-T426 HydrophobicContact CG2-CG2 4.17Å; I422-T426 WeakPolarHBondContact O-CB 3.3Å; I422-T426 VanDerWaalsContact O-CG2 3.28Å; I422-T426 WeakPolarHBondContact O-CG2 3.46Å; I422-T426 PolarHBondContact O-N 3.47Å; I422-T426 PolarHBondContact O-OG1 2.95Å; I422-T432 HydrophobicContact CG2-CG2 4.26Å; I422-L434 HydrophobicContact CD1-CB 4.37Å; I422-L434 HydrophobicContact CD1-CD1 4Å; I422-L434 HydrophobicContact CD1-CD2 4.12Å; I422-L434 HydrophobicContact CD1-CG 4.38Å; I422-F460 HydrophobicContact CB-CD1 4.45Å; I422-F460 HydrophobicContact CG2-CD1 3.58Å; I422-F460 HydrophobicContact CG2-CD2 4.21Å; I422-F460 HydrophobicContact CG2-CE1 3.49Å; I422-F460 VanDerWaalsContact CG2-CE1 3.49Å; I422-F460 HydrophobicContact CG2-CE2 4.09Å; I422-F460 HydrophobicContact CG2-CG 3.96Å; I422-F460 HydrophobicContact CG2-CZ 3.75Å; I422-V471 HydrophobicContact CG2-CG2 3.78Å
423	S	94.7	Very high	92.8	Very high	20 Å²	20	39.2 Å²	39.2	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-43.2	177.6	-57.1	0	0	0	0	112	N419 S420 E421 T426 A427 F460	N419-S423 PolarHBondContact O-N 3.18Å; N419-S423 VanDerWaalsContact O-N 3.15Å; N419-S423 PolarHBondContact O-OG 2.87Å; S420-S423 VanDerWaalsContact O-CB 3.29Å; S420-S423 WeakPolarHBondContact O-CB 3.3Å; S420-S423 PolarHBondContact O-N 3.23Å; E421-S423 PolarHBondContact O-N 2.9Å; S423-T426 PolarHBondContact O-OG1 2.94Å; S423-A427 WeakPolarHBondContact O-CB 3.18Å; S423-A427 PolarHBondContact O-N 3.34Å; S423-F460 VanDerWaalsContact OG-CD2 3.27Å; S423-F460 WeakPolarHBondContact OG-CD2 3.35Å
424	K	94.8	Very high	92.9	Very high	101 Å²	101	37.8 Å²	37.8	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-47.5	179.1	-66.4	176.1	-156.5	155.2	0	111.9	F398 S420 E421 I422 A427 A428	F398-K424 HydrophobicContact CE1-CB 4.04Å; F398-K424 HydrophobicContact CZ-CB 4.36Å; S420-K424 WeakPolarHBondContact O-CG 3.42Å; S420-K424 PolarHBondContact O-N 2.84Å; E421-K424 PolarHBondContact O-N 2.73Å; E421-K424 IonicContact OE1-NZ 3.86Å; E421-K424 IonicContact OE2-NZ 2.87Å; E421-K424 PolarHBondContact OE2-NZ 2.76Å; I422-K424 PolarHBondContact O-N 3.1Å; K424-A427 PolarHBondContact O-N 3.36Å; K424-A428 WeakPolarHBondContact O-CB 3.42Å; K424-A428 PolarHBondContact O-N 3.41Å
425	V	95.7	Very high	93.2	Very high	0 Å²	0	35 Å²	35	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-49.4	-179.2	171.8	0	0	0	0	110.5	F398 V410 V412 E421 A428 G429 Y430	F398-V425 HydrophobicContact CD1-CG2 3.72Å; F398-V425 HydrophobicContact CE1-CG2 3.7Å; F398-V425 HydrophobicContact CG-CG2 4.19Å; F398-V425 HydrophobicContact CZ-CG2 4.16Å; V410-V425 HydrophobicContact CB-CG1 3.72Å; V410-V425 HydrophobicContact CB-CG2 4.35Å; V410-V425 HydrophobicContact CG1-CG1 4.23Å; V410-V425 HydrophobicContact CG1-CG2 3.93Å; V410-V425 HydrophobicContact CG2-CG1 3.97Å; V412-V425 HydrophobicContact CG2-CG2 4.45Å; E421-V425 WeakPolarHBondContact O-CG2 3.39Å; E421-V425 PolarHBondContact O-N 3.22Å; V425-A428 WeakPolarHBondContact O-CB 3.4Å; V425-A428 PolarHBondContact O-N 3.27Å; V425-G429 PolarHBondContact O-N 3.06Å; V425-Y430 PolarHBondContact O-N 2.82Å
426	T	95.8	Very high	94.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-70.6	-33.3	179.4	59.2	0	0	0	0	112.2	I422 S423 A428 G429 T432 Q467 L470 V471	I422-T426 HydrophobicContact CG2-CG2 4.17Å; I422-T426 WeakPolarHBondContact O-CB 3.3Å; I422-T426 VanDerWaalsContact O-CG2 3.28Å; I422-T426 WeakPolarHBondContact O-CG2 3.46Å; I422-T426 PolarHBondContact O-N 3.47Å; I422-T426 PolarHBondContact O-OG1 2.95Å; S423-T426 PolarHBondContact O-OG1 2.94Å; T426-A428 VanDerWaalsContact C-N 3.27Å; T426-A428 PolarHBondContact O-N 3.19Å; T426-G429 PolarHBondContact O-N 3.37Å; T426-T432 HydrophobicContact CG2-CG2 3.77Å; T426-Q467 WeakPolarHBondContact CG2-O 3.45Å; T426-L470 HydrophobicContact CG2-CB 3.87Å; T426-L470 WeakPolarHBondContact O-CD1 3.44Å; T426-V471 HydrophobicContact CG2-CG2 4.11Å
427	A	94.7	Very high	95	Very high	67 Å²	67	29.8 Å²	29.8	55%	0.554	20%	0.202	S	C	*	.	H	α-helix	trans	-64	-30.6	170.6	0	0	0	0	0	113.3	S423 K424 G429	S423-A427 WeakPolarHBondContact O-CB 3.18Å; S423-A427 PolarHBondContact O-N 3.34Å; K424-A427 PolarHBondContact O-N 3.36Å; A427-G429 PolarHBondContact O-N 3.14Å
428	A	94.9	Very high	95.7	Very high	52 Å²	52	27.7 Å²	27.7	43%	0.43	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.1	172.1	0	0	0	0	0	113.2	F398 K424 V425 T426 Y430	F398-A428 HydrophobicContact CE2-CB 3.72Å; F398-A428 HydrophobicContact CZ-CB 3.94Å; K424-A428 WeakPolarHBondContact O-CB 3.42Å; K424-A428 PolarHBondContact O-N 3.41Å; V425-A428 WeakPolarHBondContact O-CB 3.4Å; V425-A428 PolarHBondContact O-N 3.27Å; T426-A428 VanDerWaalsContact C-N 3.27Å; T426-A428 PolarHBondContact O-N 3.19Å; A428-Y430 HydrophobicContact CB-CD2 3.7Å; A428-Y430 HydrophobicContact CB-CE2 3.76Å
429	G	95.6	Very high	96.1	Very high	42 Å²	42	27.6 Å²	27.6	43%	0.433	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	11.5	175.9	0	0	0	0	0	114.8	V425 T426 A427	V425-G429 PolarHBondContact O-N 3.06Å; T426-G429 PolarHBondContact O-N 3.37Å; A427-G429 PolarHBondContact O-N 3.14Å
430	Y	96.9	Very high	96.4	Very high	37 Å²	37	24.3 Å²	24.3	15%	0.145	16%	0.16	C	C	.	.			trans	-91.5	144.6	179.5	-60.3	-66.7	0	0	0	112.2	F398 L404 K405 V425 A428	F398-Y430 HydrophobicContact CD2-CD2 4.05Å; F398-Y430 HydrophobicContact CD2-CE2 4.12Å; F398-Y430 AromaticContact CE2-CD2 3.81Å; F398-Y430 HydrophobicContact CE2-CD2 3.81Å; F398-Y430 AromaticContact CE2-CE2 3.87Å; F398-Y430 HydrophobicContact CE2-CE2 3.87Å; L404-Y430 HydrophobicContact CB-CD1 4.46Å; L404-Y430 HydrophobicContact CB-CE1 3.69Å; L404-Y430 HydrophobicContact CB-CE2 4.49Å; L404-Y430 HydrophobicContact CD1-CD2 4.45Å; L404-Y430 HydrophobicContact CD1-CE1 4.45Å; L404-Y430 HydrophobicContact CD1-CE2 4.25Å; L404-Y430 PolarHBondContact O-OH 3.36Å; K405-Y430 WeakPolarHBondContact O-CE1 3.5Å; V425-Y430 PolarHBondContact O-N 2.82Å; A428-Y430 HydrophobicContact CB-CD2 3.7Å; A428-Y430 HydrophobicContact CB-CE2 3.76Å
431	T	97.4	Very high	96.6	Very high	34 Å²	34	22 Å²	22	21%	0.209	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	144	168.7	-59.1	0	0	0	0	109.8	V409 V410 L470 I472	V409-T431 WeakPolarHBondContact CA-O 3.3Å; V409-T431 HydrophobicContact CG1-CG2 4.18Å; V409-T431 HydrophobicContact CG2-CG2 4.05Å; V410-T431 PolarHBondContact N-O 2.84Å; T431-L470 CarbonylContact C-O 3.52Å; T431-L470 WeakPolarHBondContact CA-O 3.25Å; T431-I472 HydrophobicContact CG2-CB 4.14Å; T431-I472 HydrophobicContact CG2-CD1 3.54Å; T431-I472 HydrophobicContact CG2-CG1 3.6Å; T431-I472 HydrophobicContact CG2-CG2 3.5Å; T431-I472 VanDerWaalsContact CG2-CG2 3.5Å
432	T	97.3	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.4	-176.8	-167.8	0	0	0	0	114.3	V410 I422 T426 L470 V471 I472	V410-T432 WeakPolarHBondContact O-CA 3.4Å; V410-T432 WeakPolarHBondContact O-CB 3.34Å; V410-T432 PolarHBondContact O-OG1 2.95Å; I422-T432 HydrophobicContact CG2-CG2 4.26Å; T426-T432 HydrophobicContact CG2-CG2 3.77Å; T432-L470 PolarHBondContact N-O 2.69Å; T432-V471 HydrophobicContact CG2-CB 4.2Å; T432-V471 HydrophobicContact CG2-CG1 4.4Å; T432-V471 HydrophobicContact CG2-CG2 3.72Å; T432-I472 WeakPolarHBondContact O-CG1 3.34Å; T432-I472 PolarHBondContact O-N 3.49Å
433	I	98.4	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.8	176.9	-65.5	167.4	0	0	0	107.2	H189 I392 V409 V410 H411 V412 I472 E475	H189-I433 VanDerWaalsContact CE1-CD1 3.48Å; H189-I433 WeakPolarHBondContact CE1-CD1 3.18Å; I392-I433 HydrophobicContact CD1-CD1 4.17Å; I392-I433 HydrophobicContact CG2-CD1 4.33Å; V409-I433 HydrophobicContact CG1-CD1 3.53Å; V409-I433 HydrophobicContact CG1-CG1 3.74Å; V410-I433 PolarHBondContact O-N 3.35Å; V410-I433 VanDerWaalsContact O-N 3.07Å; H411-I433 PolarHBondContact CD2-O 3.17Å; V412-I433 PolarHBondContact N-O 3.3Å; I433-I472 HydrophobicContact CD1-CD1 4.2Å; I433-I472 HydrophobicContact CG1-CD1 3.92Å; I433-I472 HydrophobicContact CG1-CG1 3.84Å; I433-E475 HydrophobicContact CG2-CG 3.77Å
434	L	98.4	Very high	96.7	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.7	177.9	177.3	60.5	0	0	0	111.7	V412 I422 A436 P437 W438 V455 P457 G473 G474 E475	V412-L434 HydrophobicContact CG1-CD1 4.43Å; I422-L434 HydrophobicContact CD1-CB 4.37Å; I422-L434 HydrophobicContact CD1-CD1 4Å; I422-L434 HydrophobicContact CD1-CD2 4.12Å; I422-L434 HydrophobicContact CD1-CG 4.38Å; L434-A436 HydrophobicContact CD1-CB 3.88Å; L434-P437 HydrophobicContact CD1-CG 4.49Å; L434-P437 HydrophobicContact CD2-CG 4.2Å; L434-P437 HydrophobicContact CG-CG 4.3Å; L434-W438 WeakPolarHBondContact O-CZ3 3.44Å; L434-V455 HydrophobicContact CD2-CG1 4.42Å; L434-P457 HydrophobicContact CD2-CB 4.12Å; L434-G473 PolarHBondContact N-O 3.38Å; L434-G474 CarbonylContact O-C 3.56Å; L434-G474 WeakPolarHBondContact O-CA 3.19Å; L434-E475 PolarHBondContact O-N 2.73Å
435	S	98.3	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.			trans	-129.8	-12.8	167.5	54.2	0	0	0	0	113.6	H411 V412 P437 W438 Y439 E475 C477	H411-S435 PolarHBondContact CD2-OG 3.22Å; H411-S435 WeakPolarHBondContact NE2-CB 3.48Å; H411-S435 PolarHBondContact NE2-OG 3.05Å; V412-S435 PolarHBondContact O-N 3.06Å; V412-S435 PolarHBondContact O-OG 3.21Å; S435-P437 VanDerWaalsContact C-CD 3.43Å; S435-P437 VanDerWaalsContact O-N 3.11Å; S435-W438 CarbonylContact O-C 3.29Å; S435-W438 WeakPolarHBondContact O-CA 3.21Å; S435-W438 PolarHBondContact O-N 3.25Å; S435-Y439 WeakPolarHBondContact O-CD2 3.2Å; S435-E475 WeakPolarHBondContact CA-O 3.29Å; S435-E475 WeakPolarHBondContact CB-O 3.25Å; S435-C477 VanDerWaalsContact CB-SG 3.55Å
436	A	97.3	Very high	96.4	Very high	12 Å²	12	42.4 Å²	42.4	10%	0.099	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-41.8	-173.8	0	0	0	0	0	117	V412 W413 L434 W438	V412-A436 PolarHBondContact O-N 3.06Å; V412-A436 VanDerWaalsContact O-N 3.14Å; W413-A436 VanDerWaalsContact C-CB 3.41Å; W413-A436 WeakPolarHBondContact O-CA 3.43Å; W413-A436 VanDerWaalsContact O-CB 3.25Å; W413-A436 WeakPolarHBondContact O-CB 3.29Å; L434-A436 HydrophobicContact CD1-CB 3.88Å; A436-W438 VanDerWaalsContact C-N 3.32Å
437	P	96.9	Very high	96.3	Very high	43 Å²	43	44.6 Å²	44.6	28%	0.279	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.4	177.5	36.7	-36	0	0	0	113.6	L434 S435 Y452 V455	L434-P437 HydrophobicContact CD1-CG 4.49Å; L434-P437 HydrophobicContact CD2-CG 4.2Å; L434-P437 HydrophobicContact CG-CG 4.3Å; S435-P437 VanDerWaalsContact C-CD 3.43Å; S435-P437 VanDerWaalsContact O-N 3.11Å; P437-Y452 WeakPolarHBondContact O-CD1 3.42Å; P437-V455 HydrophobicContact CB-CG1 4.41Å; P437-V455 HydrophobicContact CB-CG2 3.65Å; P437-V455 HydrophobicContact CG-CB 4.41Å; P437-V455 HydrophobicContact CG-CG1 3.71Å; P437-V455 HydrophobicContact CG-CG2 3.79Å
438	W	98.3	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.247	C	C	.	.			trans	-123.6	42.6	-171.5	-59.2	-37.1	0	0	0	111.9	L434 S435 A436 L440 Y452 V455 P457 C477 V499 R502 L503	L434-W438 WeakPolarHBondContact O-CZ3 3.44Å; S435-W438 CarbonylContact O-C 3.29Å; S435-W438 WeakPolarHBondContact O-CA 3.21Å; S435-W438 PolarHBondContact O-N 3.25Å; A436-W438 VanDerWaalsContact C-N 3.32Å; W438-L440 HydrophobicContact CB-CD1 4.16Å; W438-L440 WeakPolarHBondContact O-CD1 3.31Å; W438-L440 PolarHBondContact O-N 2.9Å; W438-Y452 AromaticContact CD1-CD1 3.98Å; W438-Y452 PolarHBondContact NE1-O 3.29Å; W438-V455 HydrophobicContact CH2-CG1 4.49Å; W438-V455 HydrophobicContact CZ2-CB 3.93Å; W438-V455 HydrophobicContact CZ2-CG1 3.7Å; W438-P457 HydrophobicContact CH2-CG 3.72Å; W438-P457 HydrophobicContact CZ2-CG 4.22Å; W438-C477 PolarHBondContact O-N 3.23Å; W438-V499 HydrophobicContact CB-CG2 4.13Å; W438-V499 HydrophobicContact CD2-CB 4.46Å; W438-V499 HydrophobicContact CD2-CG1 3.62Å; W438-V499 HydrophobicContact CD2-CG2 4.06Å; W438-V499 HydrophobicContact CE3-CG1 3.72Å; W438-V499 HydrophobicContact CG-CG1 4.07Å; W438-V499 HydrophobicContact CG-CG2 3.68Å; W438-V499 HydrophobicContact CH2-CG1 4.28Å; W438-V499 HydrophobicContact CZ2-CG1 4.22Å; W438-V499 HydrophobicContact CZ3-CG1 4.05Å; W438-R502 HydrophobicContact CH2-CG 4.49Å; W438-R502 HydrophobicContact CZ2-CB 4.47Å; W438-R502 HydrophobicContact CZ2-CG 3.98Å; W438-L503 HydrophobicContact CH2-CD1 4.47Å; W438-L503 HydrophobicContact CH2-CD2 3.65Å; W438-L503 HydrophobicContact CH2-CG 4.03Å; W438-L503 HydrophobicContact CZ3-CD1 4.21Å; W438-L503 HydrophobicContact CZ3-CD2 3.91Å; W438-L503 HydrophobicContact CZ3-CG 4.25Å
439	Y	98.1	Very high	96.5	Very high	17 Å²	17	39.6 Å²	39.6	7%	0.067	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-84.4	94.1	167.5	-87.7	-128.6	0	0	0	109	W413 S435 D441 Y442 C477 W479	W413-Y439 HydrophobicContact CB-CE2 4.09Å; W413-Y439 WeakPolarHBondContact CB-OH 3.32Å; W413-Y439 HydrophobicContact CE3-CE1 4.02Å; W413-Y439 HydrophobicContact CE3-CE2 4.36Å; W413-Y439 AromaticContact CE3-CZ 3.56Å; W413-Y439 HydrophobicContact CZ3-CE1 4.33Å; S435-Y439 WeakPolarHBondContact O-CD2 3.2Å; Y439-D441 VanDerWaalsContact C-N 3.33Å; Y439-Y442 HydrophobicContact CD1-CD2 4.46Å; Y439-Y442 AromaticContact CD1-CE2 3.9Å; Y439-Y442 HydrophobicContact CD1-CE2 3.9Å; Y439-Y442 HydrophobicContact CG-CE2 4.33Å; Y439-Y442 PolarHBondContact O-N 3.14Å; Y439-C477 HydrophobicContact CD2-CB 4.13Å; Y439-C477 HydrophobicContact CE2-CB 4.15Å; Y439-W479 AromaticContact CD1-CD1 3.73Å; Y439-W479 AromaticContact CD1-NE1 3.78Å; Y439-W479 AromaticContact CE1-CD1 3.5Å; Y439-W479 VanDerWaalsContact CE1-CD1 3.5Å; Y439-W479 AromaticContact CE1-NE1 3.09Å; Y439-W479 AromaticContact CZ-NE1 3.35Å; Y439-W479 VanDerWaalsContact CZ-NE1 3.35Å; Y439-W479 PolarHBondContact OH-NE1 2.63Å
440	L	98.4	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.8	-174.3	-84.4	64.6	0	0	0	112	W438 Y442 Y452 A476 C477 M478 L492 R495 A496	W438-L440 HydrophobicContact CB-CD1 4.16Å; W438-L440 WeakPolarHBondContact O-CD1 3.31Å; W438-L440 PolarHBondContact O-N 2.9Å; L440-Y442 PolarHBondContact O-N 2.87Å; L440-Y452 HydrophobicContact CD1-CD1 4.46Å; L440-Y452 HydrophobicContact CD1-CD2 4.36Å; L440-Y452 HydrophobicContact CD1-CE1 4.33Å; L440-Y452 HydrophobicContact CD1-CE2 4.29Å; L440-Y452 HydrophobicContact CG-CD2 4.45Å; L440-Y452 HydrophobicContact CG-CE2 4.09Å; L440-A476 HydrophobicContact CD1-CB 3.92Å; L440-A476 HydrophobicContact CD2-CB 4.2Å; L440-C477 WeakPolarHBondContact CB-O 3.16Å; L440-C477 PolarHBondContact N-O 3.17Å; L440-M478 HydrophobicContact CB-CE 3.46Å; L440-M478 VanDerWaalsContact CB-CE 3.46Å; L440-M478 HydrophobicContact CD2-CE 4.44Å; L440-L492 HydrophobicContact CD2-CD1 3.76Å; L440-R495 HydrophobicContact CD2-CB 3.98Å; L440-R495 HydrophobicContact CG-CB 4.48Å; L440-R495 VanDerWaalsContact O-CZ 3.3Å; L440-R495 PolarHBondContact O-NH1 3.26Å; L440-R495 PolarHBondContact O-NH2 3.29Å; L440-A496 HydrophobicContact CD2-CB 3.77Å
441	D	97.2	Very high	96.5	Very high	16 Å²	16	40.4 Å²	40.4	9%	0.086	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.9	168.9	59.2	-67.3	0	0	0	112	Y439 I443 M478 W479	Y439-D441 VanDerWaalsContact C-N 3.33Å; D441-I443 PolarHBondContact O-N 2.92Å; D441-M478 HydrophobicContact CB-SD 4.35Å; D441-W479 HydrophobicContact CB-CB 4.16Å
442	Y	96.4	Very high	96.5	Very high	152 Å²	152	39.6 Å²	39.6	60%	0.596	22%	0.217	S	C	*	.	S	Bend	trans	-75.2	89.1	170.6	-60.8	-16.2	0	0	0	111.2	Y439 L440	Y439-Y442 HydrophobicContact CD1-CD2 4.46Å; Y439-Y442 AromaticContact CD1-CE2 3.9Å; Y439-Y442 HydrophobicContact CD1-CE2 3.9Å; Y439-Y442 HydrophobicContact CG-CE2 4.33Å; Y439-Y442 PolarHBondContact O-N 3.14Å; L440-Y442 PolarHBondContact O-N 2.87Å
443	I	95.8	Very high	96.6	Very high	104 Å²	104	39.7 Å²	39.7	53%	0.533	22%	0.218	S	C	.	.			trans	-76.7	146.9	174.9	65.6	173	0	0	0	111.4	D441 R491	D441-I443 PolarHBondContact O-N 2.92Å; I443-R491 HydrophobicContact CG2-CG 4.06Å
444	S	94.2	Very high	96.5	Very high	71 Å²	71	44.5 Å²	44.5	50%	0.497	24%	0.239	S	C	.	.			trans	-136.9	161.5	170.7	63.6	0	0	0	0	110.4	D448	S444-D448 VanDerWaalsContact OG-CB 3.3Å; S444-D448 WeakPolarHBondContact OG-CB 3.3Å
445	I	92.1	Very high	96.4	Very high	180 Å²	180	45.6 Å²	45.6	92%	0.923	25%	0.246	S	C	*	.	S	Bend	trans	-77.3	131.5	178.2	-61.9	172.8	0	0	0	108.2
446	G	91.6	Very high	96.3	Very high	57 Å²	57	47.4 Å²	47.4	59%	0.588	25%	0.254	S	S	*	.	S	Bend	trans	107.4	-153.8	175.2	0	0	0	0	0	112.9	D448	G446-D448 PolarHBondContact O-N 3.37Å
447	Q	93.8	Very high	96.2	Very high	49 Å²	49	46.9 Å²	46.9	23%	0.229	25%	0.249	C	C	.	.			trans	-93.6	60.8	-172.3	-66.9	-170.7	77.3	0	0	111.9	W449 L450	Q447-W449 PolarHBondContact O-N 2.92Å; Q447-W449 VanDerWaalsContact O-N 3.14Å; Q447-L450 HydrophobicContact CB-CD1 3.8Å; Q447-L450 HydrophobicContact CB-CG 4.28Å; Q447-L450 WeakPolarHBondContact O-CB 3.34Å; Q447-L450 PolarHBondContact O-N 3.08Å
448	D	96.1	Very high	96.1	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.059	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23	-178.4	74.1	-24.7	0	0	0	113.7	S444 G446 L450 N451 Y452 R495	S444-D448 VanDerWaalsContact OG-CB 3.3Å; S444-D448 WeakPolarHBondContact OG-CB 3.3Å; G446-D448 PolarHBondContact O-N 3.37Å; D448-L450 PolarHBondContact O-N 2.86Å; D448-L450 VanDerWaalsContact O-N 3.1Å; D448-N451 VanDerWaalsContact O-CB 3.29Å; D448-N451 WeakPolarHBondContact O-CB 3.09Å; D448-N451 PolarHBondContact O-N 2.66Å; D448-Y452 HydrophobicContact CB-CE2 4.29Å; D448-Y452 PolarHBondContact O-N 2.83Å; D448-Y452 WeakPolarHBondContact OD2-CE2 3.32Å; D448-Y452 PolarHBondContact OD2-OH 2.91Å; D448-R495 WeakPolarHBondContact OD1-CD 3.22Å; D448-R495 VanDerWaalsContact OD2-CD 3.3Å; D448-R495 WeakPolarHBondContact OD2-CD 3.39Å; D448-R495 IonicContact OD2-CZ 3.44Å; D448-R495 IonicContact OD2-NE 3.74Å; D448-R495 IonicContact OD2-NH1 3.53Å; D448-R495 PolarHBondContact OD2-NH1 2.88Å
449	W	97.3	Very high	95.7	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.011	27%	0.27	C	S	.	.	H	α-helix	trans	-52.8	-30.2	171.8	77.8	-91.3	0	0	0	113.1	L31 Q447 N451 Y452 Y453 R495 A498 A515 F516 L519 L536	L31-W449 HydrophobicContact CD1-CH2 4.47Å; L31-W449 HydrophobicContact CD1-CZ2 3.89Å; Q447-W449 PolarHBondContact O-N 2.92Å; Q447-W449 VanDerWaalsContact O-N 3.14Å; W449-N451 VanDerWaalsContact C-N 3.33Å; W449-Y452 PolarHBondContact O-N 3.37Å; W449-Y453 HydrophobicContact CZ3-CG 4.25Å; W449-Y453 WeakPolarHBondContact O-CB 3.28Å; W449-Y453 PolarHBondContact O-N 2.87Å; W449-R495 HydrophobicContact CB-CG 4.5Å; W449-A498 HydrophobicContact CB-CB 4.35Å; W449-A498 HydrophobicContact CE3-CB 4.29Å; W449-A498 WeakPolarHBondContact O-CB 3.48Å; W449-A515 HydrophobicContact CH2-CB 4.36Å; W449-A515 HydrophobicContact CZ3-CB 4.31Å; W449-F516 HydrophobicContact CH2-CB 3.97Å; W449-F516 HydrophobicContact CZ2-CB 3.91Å; W449-F516 AromaticContact CZ2-CD2 3.92Å; W449-F516 HydrophobicContact CZ2-CD2 3.92Å; W449-F516 HydrophobicContact CZ2-CG 4.42Å; W449-L519 HydrophobicContact CD2-CD2 3.88Å; W449-L519 HydrophobicContact CE3-CD2 3.67Å; W449-L519 HydrophobicContact CG-CD2 4.42Å; W449-L519 HydrophobicContact CZ3-CD2 4.03Å; W449-L536 HydrophobicContact CD2-CD2 4.41Å; W449-L536 HydrophobicContact CG-CD2 4.02Å
450	L	97.1	Very high	95.2	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-38.6	175.1	-71.1	167.8	0	0	0	111.7	L31 Q447 D448 Y452 Y453 K454 T512	L31-L450 HydrophobicContact CD1-CD1 3.85Å; L31-L450 HydrophobicContact CD1-CD2 3.78Å; L31-L450 HydrophobicContact CD1-CG 4.29Å; Q447-L450 HydrophobicContact CB-CD1 3.8Å; Q447-L450 HydrophobicContact CB-CG 4.28Å; Q447-L450 WeakPolarHBondContact O-CB 3.34Å; Q447-L450 PolarHBondContact O-N 3.08Å; D448-L450 PolarHBondContact O-N 2.86Å; D448-L450 VanDerWaalsContact O-N 3.1Å; L450-Y452 VanDerWaalsContact C-N 3.33Å; L450-Y453 PolarHBondContact O-N 3.26Å; L450-K454 WeakPolarHBondContact O-CB 3.48Å; L450-K454 WeakPolarHBondContact O-CD 3.4Å; L450-K454 WeakPolarHBondContact O-CG 3.22Å; L450-K454 PolarHBondContact O-N 2.67Å; L450-T512 HydrophobicContact CD2-CG2 3.85Å
451	N	96.3	Very high	93.5	Very high	92 Å²	92	58.7 Å²	58.7	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-44.3	178	-63	-30.6	0	0	0	110	D448 W449 V455	D448-N451 VanDerWaalsContact O-CB 3.29Å; D448-N451 WeakPolarHBondContact O-CB 3.09Å; D448-N451 PolarHBondContact O-N 2.66Å; W449-N451 VanDerWaalsContact C-N 3.33Å; N451-V455 WeakPolarHBondContact O-CG2 3.44Å
452	Y	98	Very high	91.9	Very high	17 Å²	17	61.2 Å²	61.2	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-40.6	177.3	-49.3	-40.8	0	0	0	112	P437 W438 L440 D448 W449 L450 R495	P437-Y452 WeakPolarHBondContact O-CD1 3.42Å; W438-Y452 AromaticContact CD1-CD1 3.98Å; W438-Y452 PolarHBondContact NE1-O 3.29Å; L440-Y452 HydrophobicContact CD1-CD1 4.46Å; L440-Y452 HydrophobicContact CD1-CD2 4.36Å; L440-Y452 HydrophobicContact CD1-CE1 4.33Å; L440-Y452 HydrophobicContact CD1-CE2 4.29Å; L440-Y452 HydrophobicContact CG-CD2 4.45Å; L440-Y452 HydrophobicContact CG-CE2 4.09Å; D448-Y452 HydrophobicContact CB-CE2 4.29Å; D448-Y452 PolarHBondContact O-N 2.83Å; D448-Y452 WeakPolarHBondContact OD2-CE2 3.32Å; D448-Y452 PolarHBondContact OD2-OH 2.91Å; W449-Y452 PolarHBondContact O-N 3.37Å; L450-Y452 VanDerWaalsContact C-N 3.33Å; Y452-R495 HydrophobicContact CD2-CB 4.3Å; Y452-R495 HydrophobicContact CE2-CB 4.13Å; Y452-R495 PolarHBondContact OH-NH1 3.31Å
453	Y	98.3	Very high	90.6	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-68.5	-37.1	-179.3	-172.8	-103.7	0	0	0	113.4	W42 W449 L450 V455 E501 R502 V509 T512 A515	W42-Y453 HydrophobicContact CH2-CD2 4.31Å; W42-Y453 HydrophobicContact CH2-CE2 4.06Å; W449-Y453 HydrophobicContact CZ3-CG 4.25Å; W449-Y453 WeakPolarHBondContact O-CB 3.28Å; W449-Y453 PolarHBondContact O-N 2.87Å; L450-Y453 PolarHBondContact O-N 3.26Å; Y453-V455 VanDerWaalsContact C-N 3.26Å; Y453-V455 PolarHBondContact O-N 3.04Å; Y453-E501 HydrophobicContact CE2-CB 4.14Å; Y453-E501 HydrophobicContact CE2-CG 3.86Å; Y453-E501 VanDerWaalsContact CE2-OE1 3.28Å; Y453-E501 WeakPolarHBondContact CE2-OE1 3.45Å; Y453-E501 PolarHBondContact OH-OE1 3.23Å; Y453-E501 VanDerWaalsContact OH-OE1 3.1Å; Y453-R502 PolarHBondContact O-NE 3.47Å; Y453-R502 PolarHBondContact O-NH2 2.63Å; Y453-V509 PolarHBondContact OH-O 3.05Å; Y453-T512 HydrophobicContact CD1-CG2 4.25Å; Y453-T512 HydrophobicContact CE1-CG2 4.47Å; Y453-A515 HydrophobicContact CE1-CB 3.82Å; Y453-A515 HydrophobicContact CE2-CB 4.1Å
454	K	97.2	Very high	90.3	Very high	101 Å²	101	53.2 Å²	53.2	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-72.6	-13.5	-178	-74.3	169.1	-176	170.2	0	113.4	E28 L450 E456	E28-K454 IonicContact OE1-NZ 3.98Å; E28-K454 PolarHBondContact OE1-NZ 2.68Å; E28-K454 IonicContact OE2-NZ 3.84Å; L450-K454 WeakPolarHBondContact O-CB 3.48Å; L450-K454 WeakPolarHBondContact O-CD 3.4Å; L450-K454 WeakPolarHBondContact O-CG 3.22Å; L450-K454 PolarHBondContact O-N 2.67Å; K454-E456 PolarHBondContact O-N 2.85Å
455	V	96.7	Very high	90.1	Very high	27 Å²	27	55.2 Å²	55.2	16%	0.164	31%	0.311	C	S	.	.			trans	-60.6	131.8	177.1	177.1	0	0	0	0	110.4	L434 P437 W438 N451 Y453 R502	L434-V455 HydrophobicContact CD2-CG1 4.42Å; P437-V455 HydrophobicContact CB-CG1 4.41Å; P437-V455 HydrophobicContact CB-CG2 3.65Å; P437-V455 HydrophobicContact CG-CB 4.41Å; P437-V455 HydrophobicContact CG-CG1 3.71Å; P437-V455 HydrophobicContact CG-CG2 3.79Å; W438-V455 HydrophobicContact CH2-CG1 4.49Å; W438-V455 HydrophobicContact CZ2-CB 3.93Å; W438-V455 HydrophobicContact CZ2-CG1 3.7Å; N451-V455 WeakPolarHBondContact O-CG2 3.44Å; Y453-V455 VanDerWaalsContact C-N 3.26Å; Y453-V455 PolarHBondContact O-N 3.04Å; V455-R502 WeakPolarHBondContact O-CD 3.42Å; V455-R502 VanDerWaalsContact O-CG 3.25Å; V455-R502 WeakPolarHBondContact O-CG 3.35Å; V455-R502 PolarHBondContact O-NE 3.35Å
456	E	96.2	Very high	90.1	Very high	37 Å²	37	52.6 Å²	52.6	17%	0.173	30%	0.295	C	S	.	.			trans	-113.4	103.8	168.6	172.1	43.9	-125	0	0	109.3	R186 K454 L458 N459	R186-E456 IonicContact CZ-OE1 3.08Å; R186-E456 IonicContact CZ-OE2 3.6Å; R186-E456 IonicContact NH1-OE1 3.87Å; R186-E456 IonicContact NH1-OE2 3.74Å; R186-E456 PolarHBondContact NH1-OE2 2.78Å; R186-E456 IonicContact NH2-OE1 3.1Å; R186-E456 PolarHBondContact NH2-OE1 3.33Å; R186-E456 IonicContact NH2-OE2 2.79Å; R186-E456 PolarHBondContact NH2-OE2 3.36Å; K454-E456 PolarHBondContact O-N 2.85Å; E456-L458 PolarHBondContact O-N 3.37Å; E456-L458 VanDerWaalsContact O-N 3.11Å; E456-L458 WeakPolarHBondContact OE1-CB 3.47Å; E456-L458 PolarHBondContact OE1-N 3.42Å; E456-N459 HydrophobicContact CB-CB 4.01Å; E456-N459 HydrophobicContact CG-CB 3.86Å; E456-N459 VanDerWaalsContact O-CB 3.31Å; E456-N459 WeakPolarHBondContact O-CB 3.28Å; E456-N459 PolarHBondContact O-N 3.39Å
457	P	95.3	Very high	90.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.1	-172.1	-28.1	36.7	0	0	0	115.1	F187 L434 W438 R502	F187-P457 HydrophobicContact CE2-CB 4.49Å; F187-P457 HydrophobicContact CE2-CG 4.28Å; F187-P457 HydrophobicContact CZ-CB 4.12Å; F187-P457 HydrophobicContact CZ-CG 4.39Å; L434-P457 HydrophobicContact CD2-CB 4.12Å; W438-P457 HydrophobicContact CH2-CG 3.72Å; W438-P457 HydrophobicContact CZ2-CG 4.22Å; P457-R502 HydrophobicContact CG-CG 4.31Å
458	L	94.6	Very high	90.2	Very high	39 Å²	39	51.6 Å²	51.6	20%	0.204	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	10.3	179.9	-54.7	-178.3	0	0	0	113.4	F187 E456 F460 K468 V471	F187-L458 HydrophobicContact CE1-CD1 4.36Å; F187-L458 HydrophobicContact CE1-CD2 4.04Å; F187-L458 HydrophobicContact CE1-CG 4.24Å; F187-L458 HydrophobicContact CZ-CD1 4.16Å; F187-L458 HydrophobicContact CZ-CD2 4.2Å; F187-L458 HydrophobicContact CZ-CG 3.94Å; E456-L458 PolarHBondContact O-N 3.37Å; E456-L458 VanDerWaalsContact O-N 3.11Å; E456-L458 WeakPolarHBondContact OE1-CB 3.47Å; E456-L458 PolarHBondContact OE1-N 3.42Å; L458-F460 HydrophobicContact CD2-CE1 4.29Å; L458-F460 PolarHBondContact O-N 3.03Å; L458-K468 HydrophobicContact CB-CD 4.5Å; L458-K468 HydrophobicContact CD1-CB 4.5Å; L458-K468 HydrophobicContact CD2-CB 4.24Å; L458-V471 HydrophobicContact CD2-CB 3.67Å; L458-V471 HydrophobicContact CD2-CG1 3.96Å; L458-V471 HydrophobicContact CD2-CG2 3.91Å
459	N	89.3	Confident	90.2	Very high	96 Å²	96	58.4 Å²	58.4	51%	0.513	30%	0.303	S	S	.	.			trans	-82.8	54.8	-179.5	-165.5	25.8	0	0	0	113	N419 E456	N419-N459 PolarHBondContact ND2-O 3.5Å; N419-N459 VanDerWaalsContact ND2-O 3.17Å; E456-N459 HydrophobicContact CB-CB 4.01Å; E456-N459 HydrophobicContact CG-CB 3.86Å; E456-N459 VanDerWaalsContact O-CB 3.31Å; E456-N459 WeakPolarHBondContact O-CB 3.28Å; E456-N459 PolarHBondContact O-N 3.39Å
460	F	86.5	Confident	90.2	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.031	31%	0.313	C	S	.	.			trans	-114.6	119.9	173	61.7	-84.5	0	0	0	110.7	N419 I422 S423 L458 A462 G463 K468 V471	N419-F460 HydrophobicContact CB-CB 4.07Å; N419-F460 WeakPolarHBondContact O-CB 3.33Å; I422-F460 HydrophobicContact CB-CD1 4.45Å; I422-F460 HydrophobicContact CG2-CD1 3.58Å; I422-F460 HydrophobicContact CG2-CD2 4.21Å; I422-F460 HydrophobicContact CG2-CE1 3.49Å; I422-F460 VanDerWaalsContact CG2-CE1 3.49Å; I422-F460 HydrophobicContact CG2-CE2 4.09Å; I422-F460 HydrophobicContact CG2-CG 3.96Å; I422-F460 HydrophobicContact CG2-CZ 3.75Å; S423-F460 VanDerWaalsContact OG-CD2 3.27Å; S423-F460 WeakPolarHBondContact OG-CD2 3.35Å; L458-F460 HydrophobicContact CD2-CE1 4.29Å; L458-F460 PolarHBondContact O-N 3.03Å; F460-A462 PolarHBondContact O-N 3.27Å; F460-G463 VanDerWaalsContact CE2-CA 3.48Å; F460-G463 PolarHBondContact O-N 3.06Å; F460-K468 HydrophobicContact CE1-CG 4.1Å; F460-K468 HydrophobicContact CZ-CG 3.8Å; F460-V471 HydrophobicContact CE1-CG2 3.84Å; F460-V471 HydrophobicContact CZ-CG2 4.09Å
461	N	63.1	Low	90.2	Very high	166 Å²	166	60.3 Å²	60.3	89%	0.888	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	4	-164.7	-77.4	-24.9	0	0	0	116
462	A	63.4	Low	90.3	Very high	70 Å²	70	57.1 Å²	57.1	58%	0.579	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	4.2	-173.5	0	0	0	0	0	114.8	F460 Q467	F460-A462 PolarHBondContact O-N 3.27Å; A462-Q467 PolarHBondContact O-OE1 3.03Å
463	G	70.3	Confident	90.3	Very high	16 Å²	16	56.3 Å²	56.3	17%	0.165	29%	0.293	C	S	.	.			trans	-89.1	122.2	-177.3	0	0	0	0	0	114.3	F460 K468	F460-G463 VanDerWaalsContact CE2-CA 3.48Å; F460-G463 PolarHBondContact O-N 3.06Å; G463-K468 WeakPolarHBondContact O-CE 3.4Å
464	T	88.4	Confident	90.3	Very high	72 Å²	72	56.3 Å²	56.3	44%	0.442	29%	0.293	S	S	.	.			trans	-57.4	162.4	155.3	57.4	0	0	0	0	110.8	E466 Q467 K468	T464-E466 PolarHBondContact O-N 3.45Å; T464-Q467 PolarHBondContact O-N 3.31Å; T464-Q467 VanDerWaalsContact O-N 3.13Å; T464-Q467 VanDerWaalsContact OG1-CG 3.31Å; T464-Q467 WeakPolarHBondContact OG1-CG 3.27Å; T464-Q467 PolarHBondContact OG1-N 3Å; T464-Q467 PolarHBondContact OG1-OE1 3.07Å; T464-K468 PolarHBondContact O-N 3.32Å
465	E	90.9	Very high	90.4	Very high	112 Å²	112	51.5 Å²	51.5	52%	0.523	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-30.9	176.8	-66.8	-57.1	121.7	0	0	111.8	K468 K469	E465-K468 PolarHBondContact O-N 3.34Å; E465-K468 IonicContact OE1-NZ 3.62Å; E465-K468 PolarHBondContact OE1-NZ 2.83Å; E465-K469 WeakPolarHBondContact O-CG 3.34Å; E465-K469 PolarHBondContact O-N 2.98Å
466	E	91.6	Very high	90.5	Very high	125 Å²	125	50.2 Å²	50.2	58%	0.584	26%	0.264	S	S	*	.	H	α-helix	trans	-64.2	-43.9	172.7	-67.8	65.4	-142.2	0	0	111.7	T464 K469	T464-E466 PolarHBondContact O-N 3.45Å; E466-K469 PolarHBondContact O-N 2.87Å
467	Q	94.3	Very high	90.7	Very high	32 Å²	32	48.5 Å²	48.5	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-39.2	176	-75.8	167	-63	0	0	112	T426 A462 T464 K469 L470	T426-Q467 WeakPolarHBondContact CG2-O 3.45Å; A462-Q467 PolarHBondContact O-OE1 3.03Å; T464-Q467 PolarHBondContact O-N 3.31Å; T464-Q467 VanDerWaalsContact O-N 3.13Å; T464-Q467 VanDerWaalsContact OG1-CG 3.31Å; T464-Q467 WeakPolarHBondContact OG1-CG 3.27Å; T464-Q467 PolarHBondContact OG1-N 3Å; T464-Q467 PolarHBondContact OG1-OE1 3.07Å; Q467-K469 VanDerWaalsContact C-N 3.27Å; Q467-K469 PolarHBondContact O-N 3.12Å; Q467-L470 WeakPolarHBondContact O-CB 3.29Å; Q467-L470 PolarHBondContact O-N 3.44Å; Q467-L470 VanDerWaalsContact O-N 3.09Å
468	K	94.4	Very high	90.8	Very high	54 Å²	54	48.5 Å²	48.5	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-32.4	176.9	-70.2	176.3	-170.3	163.2	0	112.7	L458 F460 G463 T464 E465 L470 V471	L458-K468 HydrophobicContact CB-CD 4.5Å; L458-K468 HydrophobicContact CD1-CB 4.5Å; L458-K468 HydrophobicContact CD2-CB 4.24Å; F460-K468 HydrophobicContact CE1-CG 4.1Å; F460-K468 HydrophobicContact CZ-CG 3.8Å; G463-K468 WeakPolarHBondContact O-CE 3.4Å; T464-K468 PolarHBondContact O-N 3.32Å; E465-K468 PolarHBondContact O-N 3.34Å; E465-K468 IonicContact OE1-NZ 3.62Å; E465-K468 PolarHBondContact OE1-NZ 2.83Å; K468-L470 PolarHBondContact O-N 3Å; K468-V471 WeakPolarHBondContact O-CB 3.5Å; K468-V471 PolarHBondContact O-N 2.88Å; K468-V471 VanDerWaalsContact O-N 3.08Å
469	K	95.4	Very high	91	Very high	153 Å²	153	47.3 Å²	47.3	67%	0.665	25%	0.249	S	C	*	.	H	α-helix	trans	-66.3	-20.2	174.9	-71.3	169.7	-174.2	170.9	0	113.5	E465 E466 Q467 V471	E465-K469 WeakPolarHBondContact O-CG 3.34Å; E465-K469 PolarHBondContact O-N 2.98Å; E466-K469 PolarHBondContact O-N 2.87Å; Q467-K469 VanDerWaalsContact C-N 3.27Å; Q467-K469 PolarHBondContact O-N 3.12Å; K469-V471 VanDerWaalsContact C-N 3.25Å
470	L	97	Very high	91.4	Very high	43 Å²	43	42.9 Å²	42.9	23%	0.225	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.8	173.6	-64.5	172.5	0	0	0	112.2	T426 T431 T432 Q467 K468 I472	T426-L470 HydrophobicContact CG2-CB 3.87Å; T426-L470 WeakPolarHBondContact O-CD1 3.44Å; T431-L470 CarbonylContact C-O 3.52Å; T431-L470 WeakPolarHBondContact CA-O 3.25Å; T432-L470 PolarHBondContact N-O 2.69Å; Q467-L470 WeakPolarHBondContact O-CB 3.29Å; Q467-L470 PolarHBondContact O-N 3.44Å; Q467-L470 VanDerWaalsContact O-N 3.09Å; K468-L470 PolarHBondContact O-N 3Å; L470-I472 PolarHBondContact O-N 3.07Å
471	V	97.5	Very high	92	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	100.6	170.1	-172.8	0	0	0	0	108.4	F187 I422 T426 T432 L458 F460 K468 K469 G473	F187-V471 HydrophobicContact CE1-CG1 4.39Å; I422-V471 HydrophobicContact CG2-CG2 3.78Å; T426-V471 HydrophobicContact CG2-CG2 4.11Å; T432-V471 HydrophobicContact CG2-CB 4.2Å; T432-V471 HydrophobicContact CG2-CG1 4.4Å; T432-V471 HydrophobicContact CG2-CG2 3.72Å; L458-V471 HydrophobicContact CD2-CB 3.67Å; L458-V471 HydrophobicContact CD2-CG1 3.96Å; L458-V471 HydrophobicContact CD2-CG2 3.91Å; F460-V471 HydrophobicContact CE1-CG2 3.84Å; F460-V471 HydrophobicContact CZ-CG2 4.09Å; K468-V471 WeakPolarHBondContact O-CB 3.5Å; K468-V471 PolarHBondContact O-N 2.88Å; K468-V471 VanDerWaalsContact O-N 3.08Å; K469-V471 VanDerWaalsContact C-N 3.25Å; V471-G473 VanDerWaalsContact C-N 3.35Å
472	I	98.1	Very high	93.7	Very high	26 Å²	26	46.8 Å²	46.8	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-2.8	-174.4	57.1	163.9	0	0	0	113.5	V130 F187 P188 H189 V409 T431 T432 I433 L470	V130-I472 HydrophobicContact CG2-CD1 4.34Å; F187-I472 WeakPolarHBondContact CB-O 3.39Å; P188-I472 WeakPolarHBondContact CD-O 3.46Å; P188-I472 HydrophobicContact CG-CB 4.18Å; H189-I472 HydrophobicContact CB-CB 4.42Å; H189-I472 HydrophobicContact CB-CD1 3.97Å; H189-I472 HydrophobicContact CB-CG1 4.08Å; H189-I472 WeakPolarHBondContact CB-O 3.23Å; H189-I472 PolarHBondContact N-O 2.85Å; V409-I472 HydrophobicContact CG1-CD1 4.28Å; T431-I472 HydrophobicContact CG2-CB 4.14Å; T431-I472 HydrophobicContact CG2-CD1 3.54Å; T431-I472 HydrophobicContact CG2-CG1 3.6Å; T431-I472 HydrophobicContact CG2-CG2 3.5Å; T431-I472 VanDerWaalsContact CG2-CG2 3.5Å; T432-I472 WeakPolarHBondContact O-CG1 3.34Å; T432-I472 PolarHBondContact O-N 3.49Å; I433-I472 HydrophobicContact CD1-CD1 4.2Å; I433-I472 HydrophobicContact CG1-CD1 3.92Å; I433-I472 HydrophobicContact CG1-CG1 3.84Å; L470-I472 PolarHBondContact O-N 3.07Å
473	G	98.4	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.9	-137.5	175.4	0	0	0	0	0	112.1	H189 L434 V471	H189-G473 CarbonylContact O-C 3.45Å; H189-G473 VanDerWaalsContact O-CA 3.32Å; H189-G473 WeakPolarHBondContact O-CA 3.43Å; L434-G473 PolarHBondContact N-O 3.38Å; V471-G473 VanDerWaalsContact C-N 3.35Å
474	G	98.7	Very high	96.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	179.9	-173.1	0	0	0	0	0	114.8	H189 G191 L434 L503	H189-G474 PolarHBondContact O-N 2.9Å; G191-G474 PolarHBondContact N-O 3.46Å; L434-G474 CarbonylContact O-C 3.56Å; L434-G474 WeakPolarHBondContact O-CA 3.19Å; G474-L503 WeakPolarHBondContact O-CD1 3.47Å
475	E	98.9	Very high	97.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.5	-174.4	-49	-163.2	149.2	0	0	112	H189 G191 H222 H411 I433 L434 S435	H189-E475 IonicContact CD2-OE1 3.21Å; H189-E475 IonicContact CE1-OE1 2.87Å; H189-E475 IonicContact NE2-OE1 2.77Å; H189-E475 PolarHBondContact NE2-OE1 2.97Å; G191-E475 CarbonylContact O-C 3.58Å; G191-E475 VanDerWaalsContact O-CA 3.24Å; G191-E475 WeakPolarHBondContact O-CA 3.08Å; H222-E475 WeakPolarHBondContact CB-OE2 3.3Å; H222-E475 IonicContact CE1-OE2 3.7Å; H222-E475 IonicContact CG-OE2 3.47Å; H222-E475 IonicContact ND1-OE1 2.81Å; H222-E475 IonicContact ND1-OE2 3.24Å; H222-E475 PolarHBondContact ND1-OE2 3.04Å; H411-E475 IonicContact CE1-OE2 3.86Å; H411-E475 PolarHBondContact CE1-OE2 3.31Å; H411-E475 IonicContact NE2-OE2 2.72Å; I433-E475 HydrophobicContact CG2-CG 3.77Å; L434-E475 PolarHBondContact O-N 2.73Å; S435-E475 WeakPolarHBondContact CA-O 3.29Å; S435-E475 WeakPolarHBondContact CB-O 3.25Å
476	A	98.9	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.1	165.1	0	0	0	0	0	108.9	G191 I192 L193 L440 A496 V499	G191-A476 PolarHBondContact O-N 2.93Å; I192-A476 WeakPolarHBondContact CA-O 3.44Å; I192-A476 HydrophobicContact CD1-CB 3.71Å; L193-A476 PolarHBondContact N-O 2.78Å; L440-A476 HydrophobicContact CD1-CB 3.92Å; L440-A476 HydrophobicContact CD2-CB 4.2Å; A476-A496 HydrophobicContact CB-CB 4.44Å; A476-V499 HydrophobicContact CB-CB 4.24Å; A476-V499 HydrophobicContact CB-CG1 4.2Å; A476-V499 HydrophobicContact CB-CG2 4.04Å
477	C	98.8	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.5	-175.9	-66.3	0	0	0	0	111.5	L193 S435 W438 Y439 L440	L193-C477 HydrophobicContact CB-CB 4.4Å; S435-C477 VanDerWaalsContact CB-SG 3.55Å; W438-C477 PolarHBondContact O-N 3.23Å; Y439-C477 HydrophobicContact CD2-CB 4.13Å; Y439-C477 HydrophobicContact CE2-CB 4.15Å; L440-C477 WeakPolarHBondContact CB-O 3.16Å; L440-C477 PolarHBondContact N-O 3.17Å
478	M	98.6	Very high	98.1	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	82.8	172.4	-170.8	63.9	63.7	0	0	109.2	L193 L194 D195 L440 D441 V483 L488 R491 L492	L193-M478 WeakPolarHBondContact O-CB 3.42Å; L193-M478 PolarHBondContact O-N 2.91Å; L194-M478 HydrophobicContact CD2-CB 4.07Å; L194-M478 HydrophobicContact CD2-CG 4.5Å; D195-M478 PolarHBondContact N-O 2.58Å; L440-M478 HydrophobicContact CB-CE 3.46Å; L440-M478 VanDerWaalsContact CB-CE 3.46Å; L440-M478 HydrophobicContact CD2-CE 4.44Å; D441-M478 HydrophobicContact CB-SD 4.35Å; M478-V483 HydrophobicContact CG-CG1 4.1Å; M478-V483 HydrophobicContact CG-CG2 4.38Å; M478-V483 HydrophobicContact SD-CG1 4.36Å; M478-V483 HydrophobicContact SD-CG2 3.83Å; M478-L488 HydrophobicContact CG-CD1 3.64Å; M478-R491 HydrophobicContact CE-CG 4.02Å; M478-R491 HydrophobicContact SD-CG 4.13Å; M478-L492 HydrophobicContact CB-CD1 4.34Å; M478-L492 HydrophobicContact CE-CB 3.83Å; M478-L492 HydrophobicContact CE-CD1 3.46Å; M478-L492 VanDerWaalsContact CE-CD1 3.46Å; M478-L492 HydrophobicContact CE-CG 4.21Å
479	W	98.8	Very high	98.3	Very high	14 Å²	14	36.9 Å²	36.9	5%	0.053	19%	0.186	C	C	.	.			trans	-66.3	150.8	173.6	-63	108.2	0	0	0	111.9	L193 D195 H224 W394 Y439 D441 E481	L193-W479 HydrophobicContact CD1-CH2 4.04Å; L193-W479 HydrophobicContact CD1-CZ2 3.95Å; L193-W479 HydrophobicContact CD2-CD2 4.2Å; L193-W479 HydrophobicContact CD2-CE3 4.14Å; L193-W479 HydrophobicContact CD2-CZ3 4.3Å; D195-W479 HydrophobicContact CB-CE3 4.11Å; H224-W479 AromaticContact CD2-CZ3 3.93Å; H224-W479 AromaticContact CE1-CZ3 3.69Å; H224-W479 AromaticContact CG-CZ3 3.78Å; H224-W479 AromaticContact ND1-CH2 3.87Å; H224-W479 AromaticContact ND1-CZ3 3.61Å; H224-W479 AromaticContact NE2-CZ3 3.89Å; W394-W479 HydrophobicContact CH2-CZ2 4.23Å; W394-W479 HydrophobicContact CZ2-CH2 4Å; W394-W479 AromaticContact CZ2-CZ2 3.88Å; W394-W479 HydrophobicContact CZ2-CZ2 3.88Å; Y439-W479 AromaticContact CD1-CD1 3.73Å; Y439-W479 AromaticContact CD1-NE1 3.78Å; Y439-W479 AromaticContact CE1-CD1 3.5Å; Y439-W479 VanDerWaalsContact CE1-CD1 3.5Å; Y439-W479 AromaticContact CE1-NE1 3.09Å; Y439-W479 AromaticContact CZ-NE1 3.35Å; Y439-W479 VanDerWaalsContact CZ-NE1 3.35Å; Y439-W479 PolarHBondContact OH-NE1 2.63Å; D441-W479 HydrophobicContact CB-CB 4.16Å; W479-E481 VanDerWaalsContact CB-OE2 3.24Å; W479-E481 WeakPolarHBondContact CB-OE2 3.42Å
480	G	98.5	Very high	98.4	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-97.3	-1.8	-160.2	0	0	0	0	0	115	D195 R198 H199 Y482 V483	D195-G480 WeakPolarHBondContact OD2-CA 3.3Å; D195-G480 PolarHBondContact OD2-N 2.83Å; R198-G480 VanDerWaalsContact CB-C 3.43Å; H199-G480 PolarHBondContact ND1-O 3.17Å; G480-Y482 PolarHBondContact O-N 3.36Å; G480-V483 PolarHBondContact O-N 3Å
481	E	98.5	Very high	98.4	Very high	78 Å²	78	31.6 Å²	31.6	36%	0.364	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33	-174.1	-69.2	81.2	176.8	0	0	112.5	R198 H199 W479	R198-E481 HydrophobicContact CG-CG 4.11Å; R198-E481 IonicContact CZ-OE1 3.76Å; R198-E481 IonicContact NH1-OE1 2.71Å; R198-E481 PolarHBondContact NH1-OE1 2.82Å; R198-E481 IonicContact NH1-OE2 3.22Å; R198-E481 IonicContact NH2-OE1 3.88Å; H199-E481 PolarHBondContact CE1-O 3.07Å; W479-E481 VanDerWaalsContact CB-OE2 3.24Å; W479-E481 WeakPolarHBondContact CB-OE2 3.42Å
482	Y	98.4	Very high	98.5	Very high	178 Å²	178	31.4 Å²	31.4	70%	0.698	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127	16.6	-178.8	-52.6	-69.1	0	0	0	113	G480 N487 R491	G480-Y482 PolarHBondContact O-N 3.36Å; Y482-N487 PolarHBondContact O-ND2 3.18Å; Y482-R491 PolarHBondContact O-NH1 2.99Å; Y482-R491 VanDerWaalsContact O-NH1 3.07Å
483	V	98.8	Very high	98.5	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.03	16%	0.156	C	C	.	.			trans	-131.3	125.5	-171.8	-176.8	0	0	0	0	110.6	H199 M478 G480 N487 L488	H199-V483 WeakPolarHBondContact CB-O 3.02Å; M478-V483 HydrophobicContact CG-CG1 4.1Å; M478-V483 HydrophobicContact CG-CG2 4.38Å; M478-V483 HydrophobicContact SD-CG1 4.36Å; M478-V483 HydrophobicContact SD-CG2 3.83Å; G480-V483 PolarHBondContact O-N 3Å; V483-N487 WeakPolarHBondContact CA-OD1 3.29Å; V483-L488 HydrophobicContact CG1-CB 3.8Å; V483-L488 HydrophobicContact CG1-CD1 3.61Å; V483-L488 HydrophobicContact CG1-CG 4.31Å
484	D	98.6	Very high	98.5	Very high	50 Å²	50	30.2 Å²	30.2	27%	0.267	16%	0.157	S	C	.	.			trans	-140.3	-166.9	171.1	78.8	-8	0	0	0	110.2	H199 T486 N487 L488	H199-D484 HydrophobicContact CB-CB 3.79Å; D484-T486 PolarHBondContact O-N 2.79Å; D484-T486 VanDerWaalsContact OD1-CB 3.26Å; D484-T486 WeakPolarHBondContact OD1-CB 3.24Å; D484-T486 WeakPolarHBondContact OD1-CG2 3.34Å; D484-T486 PolarHBondContact OD1-N 2.96Å; D484-T486 PolarHBondContact OD1-OG1 3.35Å; D484-N487 PolarHBondContact N-OD1 3.12Å; D484-N487 PolarHBondContact O-N 2.84Å; D484-N487 PolarHBondContact O-OD1 2.81Å; D484-L488 WeakPolarHBondContact O-CB 3.4Å; D484-L488 PolarHBondContact O-N 2.77Å
485	A	98.1	Very high	98.5	Very high	43 Å²	43	30.4 Å²	30.4	36%	0.355	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.9	179.2	0	0	0	0	0	114.7	P202 V205	P202-A485 HydrophobicContact CG-CB 4.31Å; V205-A485 HydrophobicContact CG2-CB 3.88Å
486	T	98.2	Very high	98.5	Very high	118 Å²	118	30.4 Å²	30.4	72%	0.724	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-29	-174.5	68.7	0	0	0	0	113	D484	D484-T486 PolarHBondContact O-N 2.79Å; D484-T486 VanDerWaalsContact OD1-CB 3.26Å; D484-T486 WeakPolarHBondContact OD1-CB 3.24Å; D484-T486 WeakPolarHBondContact OD1-CG2 3.34Å; D484-T486 PolarHBondContact OD1-N 2.96Å; D484-T486 PolarHBondContact OD1-OG1 3.35Å
487	N	98.4	Very high	98.5	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.203	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-8.7	-172.4	69.7	-4.5	0	0	0	114.3	Y482 V483 D484 T489 P490 R491	Y482-N487 PolarHBondContact O-ND2 3.18Å; V483-N487 WeakPolarHBondContact CA-OD1 3.29Å; D484-N487 PolarHBondContact N-OD1 3.12Å; D484-N487 PolarHBondContact O-N 2.84Å; D484-N487 PolarHBondContact O-OD1 2.81Å; N487-T489 PolarHBondContact O-N 3.14Å; N487-P490 WeakPolarHBondContact O-CD 3.21Å; N487-P490 WeakPolarHBondContact O-CG 3.4Å; N487-R491 WeakPolarHBondContact O-CB 3.48Å; N487-R491 PolarHBondContact O-N 3.11Å
488	L	98.6	Very high	98.5	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-53.4	-54	-176.7	174	65.7	0	0	0	113	L194 L201 V205 M478 V483 D484 R491 L492	L194-L488 HydrophobicContact CD1-CD2 4.27Å; L194-L488 HydrophobicContact CD2-CD1 3.8Å; L194-L488 HydrophobicContact CD2-CD2 4.34Å; L201-L488 HydrophobicContact CD1-CD2 3.73Å; L201-L488 HydrophobicContact CD2-CD2 4.33Å; V205-L488 HydrophobicContact CG1-CD2 3.56Å; M478-L488 HydrophobicContact CG-CD1 3.64Å; V483-L488 HydrophobicContact CG1-CB 3.8Å; V483-L488 HydrophobicContact CG1-CD1 3.61Å; V483-L488 HydrophobicContact CG1-CG 4.31Å; D484-L488 WeakPolarHBondContact O-CB 3.4Å; D484-L488 PolarHBondContact O-N 2.77Å; L488-R491 PolarHBondContact O-N 2.75Å; L488-L492 HydrophobicContact CD1-CD2 4.4Å; L488-L492 WeakPolarHBondContact O-CB 3.17Å; L488-L492 PolarHBondContact O-N 3.1Å
489	T	98.4	Very high	98.5	Very high	17 Å²	17	30.3 Å²	30.3	10%	0.104	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-52.9	-172.6	-57.3	0	0	0	0	112.8	I212 N487 R491 L492 W493 I531 P532	I212-T489 HydrophobicContact CD1-CG2 4Å; N487-T489 PolarHBondContact O-N 3.14Å; T489-R491 VanDerWaalsContact C-N 3.31Å; T489-R491 PolarHBondContact O-N 3.33Å; T489-L492 PolarHBondContact O-N 3.06Å; T489-W493 PolarHBondContact O-N 2.9Å; T489-I531 HydrophobicContact CG2-CG2 3.68Å; T489-P532 HydrophobicContact CG2-CG 3.77Å
490	P	98	Very high	98.5	Very high	43 Å²	43	29.7 Å²	29.7	28%	0.279	16%	0.155	S	C	.	.	H	α-helix	trans	-63.9	-38.1	178	23.4	-33	0	0	0	111.7	N487 W493 P532 E534	N487-P490 WeakPolarHBondContact O-CD 3.21Å; N487-P490 WeakPolarHBondContact O-CG 3.4Å; P490-W493 VanDerWaalsContact O-O 3.06Å; P490-P532 VanDerWaalsContact CA-O 3.27Å; P490-P532 WeakPolarHBondContact CA-O 3.26Å; P490-P532 WeakPolarHBondContact CB-O 3.45Å; P490-E534 HydrophobicContact CB-CB 4.25Å; P490-E534 WeakPolarHBondContact O-CB 3.06Å; P490-E534 WeakPolarHBondContact O-CG 3.38Å
491	R	98.4	Very high	98.6	Very high	42 Å²	42	29.7 Å²	29.7	16%	0.158	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-43.9	176.9	-177.3	172.8	-70.1	179.7	1.4	111.3	I443 M478 Y482 N487 L488 T489 R495	I443-R491 HydrophobicContact CG2-CG 4.06Å; M478-R491 HydrophobicContact CE-CG 4.02Å; M478-R491 HydrophobicContact SD-CG 4.13Å; Y482-R491 PolarHBondContact O-NH1 2.99Å; Y482-R491 VanDerWaalsContact O-NH1 3.07Å; N487-R491 WeakPolarHBondContact O-CB 3.48Å; N487-R491 PolarHBondContact O-N 3.11Å; L488-R491 PolarHBondContact O-N 2.75Å; T489-R491 VanDerWaalsContact C-N 3.31Å; T489-R491 PolarHBondContact O-N 3.33Å; R491-R495 PolarHBondContact O-NE 2.8Å; R491-R495 PolarHBondContact O-NH2 3.14Å
492	L	98.7	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-75.4	-37.3	-174.7	-174.3	58	0	0	0	112.6	I192 L194 N209 L440 M478 L488 T489 R495 A496	I192-L492 HydrophobicContact CG2-CD2 4.1Å; L194-L492 HydrophobicContact CD2-CD2 4.18Å; N209-L492 WeakPolarHBondContact OD1-CD2 3.37Å; L440-L492 HydrophobicContact CD2-CD1 3.76Å; M478-L492 HydrophobicContact CB-CD1 4.34Å; M478-L492 HydrophobicContact CE-CB 3.83Å; M478-L492 HydrophobicContact CE-CD1 3.46Å; M478-L492 VanDerWaalsContact CE-CD1 3.46Å; M478-L492 HydrophobicContact CE-CG 4.21Å; L488-L492 HydrophobicContact CD1-CD2 4.4Å; L488-L492 WeakPolarHBondContact O-CB 3.17Å; L488-L492 PolarHBondContact O-N 3.1Å; T489-L492 PolarHBondContact O-N 3.06Å; L492-R495 PolarHBondContact O-N 2.76Å; L492-A496 HydrophobicContact CD1-CB 3.69Å; L492-A496 HydrophobicContact CG-CB 4.07Å; L492-A496 WeakPolarHBondContact O-CB 3.46Å; L492-A496 PolarHBondContact O-N 3.25Å
493	W	98.7	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	128.3	-169.7	-57.6	104.1	0	0	0	111.5	I192 N209 I212 M213 N216 F218 T489 P490 A496 A533 E534	I192-W493 HydrophobicContact CD1-CH2 4.38Å; N209-W493 PolarHBondContact OD1-NE1 2.68Å; I212-W493 HydrophobicContact CB-CD2 4.26Å; I212-W493 HydrophobicContact CB-CZ2 4.02Å; I212-W493 HydrophobicContact CD1-CG 4.24Å; I212-W493 HydrophobicContact CG2-CD2 3.31Å; I212-W493 HydrophobicContact CG2-CE3 3.69Å; I212-W493 HydrophobicContact CG2-CG 3.73Å; I212-W493 HydrophobicContact CG2-CH2 4.09Å; I212-W493 HydrophobicContact CG2-CZ2 3.74Å; I212-W493 HydrophobicContact CG2-CZ3 4.06Å; M213-W493 HydrophobicContact CG-CH2 4.41Å; M213-W493 HydrophobicContact CG-CZ2 4.12Å; N216-W493 HydrophobicContact CB-CH2 4.3Å; N216-W493 HydrophobicContact CB-CZ3 3.98Å; N216-W493 WeakPolarHBondContact ND2-CZ3 3.36Å; F218-W493 AromaticContact CD2-CH2 3.78Å; F218-W493 HydrophobicContact CD2-CH2 3.78Å; F218-W493 HydrophobicContact CD2-CZ3 4.34Å; F218-W493 AromaticContact CE2-CH2 3.72Å; F218-W493 HydrophobicContact CE2-CH2 3.72Å; F218-W493 AromaticContact CE2-CZ3 3.97Å; F218-W493 HydrophobicContact CE2-CZ3 3.97Å; T489-W493 PolarHBondContact O-N 2.9Å; P490-W493 VanDerWaalsContact O-O 3.06Å; W493-A496 HydrophobicContact CD2-CB 4.36Å; W493-A496 HydrophobicContact CE3-CB 3.84Å; W493-A496 HydrophobicContact CH2-CB 3.88Å; W493-A496 HydrophobicContact CZ2-CB 4.4Å; W493-A496 HydrophobicContact CZ3-CB 3.58Å; W493-A533 HydrophobicContact CB-CB 4.19Å; W493-A533 CarbonylContact O-C 3.49Å; W493-A533 VanDerWaalsContact O-CA 3.26Å; W493-A533 WeakPolarHBondContact O-CA 3.34Å; W493-E534 PolarHBondContact O-N 3.05Å
494	P	98.3	Very high	98.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97	12.6	16.3	38.7	-39.2	0	0	0	115.2	A496 S497 L519 R523 E534 L536	P494-A496 VanDerWaalsContact C-N 3.32Å; P494-A496 PolarHBondContact O-N 2.97Å; P494-S497 WeakPolarHBondContact O-CA 3.17Å; P494-S497 WeakPolarHBondContact O-CB 3.49Å; P494-S497 PolarHBondContact O-N 2.97Å; P494-S497 PolarHBondContact O-OG 2.78Å; P494-L519 HydrophobicContact CB-CD1 4.05Å; P494-L519 HydrophobicContact CB-CG 4.45Å; P494-R523 HydrophobicContact CB-CB 4.4Å; P494-R523 HydrophobicContact CG-CB 4.34Å; P494-R523 HydrophobicContact CG-CG 4.1Å; P494-E534 WeakPolarHBondContact CD-O 3.41Å; P494-L536 HydrophobicContact CG-CD2 3.52Å; P494-L536 HydrophobicContact CG-CG 4.15Å
495	R	98.8	Very high	98.6	Very high	5 Å²	5	15.2 Å²	15.2	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-58.7	-41.4	-177.4	-62.3	-170.2	-59.4	129.7	9.2	113	L440 D448 W449 Y452 R491 L492 S497 A498 E534	L440-R495 HydrophobicContact CD2-CB 3.98Å; L440-R495 HydrophobicContact CG-CB 4.48Å; L440-R495 VanDerWaalsContact O-CZ 3.3Å; L440-R495 PolarHBondContact O-NH1 3.26Å; L440-R495 PolarHBondContact O-NH2 3.29Å; D448-R495 WeakPolarHBondContact OD1-CD 3.22Å; D448-R495 VanDerWaalsContact OD2-CD 3.3Å; D448-R495 WeakPolarHBondContact OD2-CD 3.39Å; D448-R495 IonicContact OD2-CZ 3.44Å; D448-R495 IonicContact OD2-NE 3.74Å; D448-R495 IonicContact OD2-NH1 3.53Å; D448-R495 PolarHBondContact OD2-NH1 2.88Å; W449-R495 HydrophobicContact CB-CG 4.5Å; Y452-R495 HydrophobicContact CD2-CB 4.3Å; Y452-R495 HydrophobicContact CE2-CB 4.13Å; Y452-R495 PolarHBondContact OH-NH1 3.31Å; R491-R495 PolarHBondContact O-NE 2.8Å; R491-R495 PolarHBondContact O-NH2 3.14Å; L492-R495 PolarHBondContact O-N 2.76Å; R495-S497 PolarHBondContact O-N 2.84Å; R495-A498 VanDerWaalsContact O-CB 3.25Å; R495-A498 WeakPolarHBondContact O-CB 3.3Å; R495-A498 PolarHBondContact O-N 3.26Å; R495-E534 VanDerWaalsContact CD-OE1 3.26Å; R495-E534 WeakPolarHBondContact CD-OE1 3.41Å; R495-E534 WeakPolarHBondContact CG-OE1 3.08Å; R495-E534 IonicContact NE-OE1 2.69Å; R495-E534 PolarHBondContact NE-OE1 3.46Å
496	A	98.8	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.3	-22.3	174	0	0	0	0	0	113.5	I192 F218 L440 A476 L492 W493 P494 A498 V499 A500	I192-A496 HydrophobicContact CD1-CB 3.9Å; F218-A496 HydrophobicContact CE2-CB 4.35Å; F218-A496 WeakPolarHBondContact CE2-O 3.36Å; F218-A496 VanDerWaalsContact CZ-O 3.29Å; F218-A496 WeakPolarHBondContact CZ-O 3.26Å; L440-A496 HydrophobicContact CD2-CB 3.77Å; A476-A496 HydrophobicContact CB-CB 4.44Å; L492-A496 HydrophobicContact CD1-CB 3.69Å; L492-A496 HydrophobicContact CG-CB 4.07Å; L492-A496 WeakPolarHBondContact O-CB 3.46Å; L492-A496 PolarHBondContact O-N 3.25Å; W493-A496 HydrophobicContact CD2-CB 4.36Å; W493-A496 HydrophobicContact CE3-CB 3.84Å; W493-A496 HydrophobicContact CH2-CB 3.88Å; W493-A496 HydrophobicContact CZ2-CB 4.4Å; W493-A496 HydrophobicContact CZ3-CB 3.58Å; P494-A496 VanDerWaalsContact C-N 3.32Å; P494-A496 PolarHBondContact O-N 2.97Å; A496-A498 PolarHBondContact O-N 3.11Å; A496-V499 PolarHBondContact O-N 2.81Å; A496-A500 PolarHBondContact O-N 2.91Å
497	S	98.9	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.1	-33.1	173.7	-56.9	0	0	0	0	111.7	W42 N216 P494 R495 V499 A500 E501	W42-S497 WeakPolarHBondContact CZ2-O 3.27Å; W42-S497 PolarHBondContact NE1-O 2.98Å; N216-S497 WeakPolarHBondContact OD1-CB 3.28Å; N216-S497 PolarHBondContact OD1-OG 2.87Å; P494-S497 WeakPolarHBondContact O-CA 3.17Å; P494-S497 WeakPolarHBondContact O-CB 3.49Å; P494-S497 PolarHBondContact O-N 2.97Å; P494-S497 PolarHBondContact O-OG 2.78Å; R495-S497 PolarHBondContact O-N 2.84Å; S497-V499 VanDerWaalsContact C-N 3.34Å; S497-V499 PolarHBondContact O-N 2.91Å; S497-A500 VanDerWaalsContact O-CB 3.32Å; S497-A500 WeakPolarHBondContact O-CB 2.97Å; S497-A500 PolarHBondContact O-N 3.35Å; S497-E501 PolarHBondContact O-N 3.43Å
498	A	98.8	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.3	-45.4	173.2	0	0	0	0	0	112.3	W449 R495 A496 A500 E501 R502	W449-A498 HydrophobicContact CB-CB 4.35Å; W449-A498 HydrophobicContact CE3-CB 4.29Å; W449-A498 WeakPolarHBondContact O-CB 3.48Å; R495-A498 VanDerWaalsContact O-CB 3.25Å; R495-A498 WeakPolarHBondContact O-CB 3.3Å; R495-A498 PolarHBondContact O-N 3.26Å; A496-A498 PolarHBondContact O-N 3.11Å; A498-A500 VanDerWaalsContact C-N 3.34Å; A498-E501 PolarHBondContact O-N 2.9Å; A498-R502 PolarHBondContact O-N 3.05Å
499	V	98.9	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66	-40.2	176.6	-176	0	0	0	0	110.4	F218 W438 A476 A496 S497 E501 R502 L503	F218-V499 HydrophobicContact CE1-CG1 4.44Å; F218-V499 HydrophobicContact CZ-CB 4.18Å; F218-V499 HydrophobicContact CZ-CG1 4.35Å; W438-V499 HydrophobicContact CB-CG2 4.13Å; W438-V499 HydrophobicContact CD2-CB 4.46Å; W438-V499 HydrophobicContact CD2-CG1 3.62Å; W438-V499 HydrophobicContact CD2-CG2 4.06Å; W438-V499 HydrophobicContact CE3-CG1 3.72Å; W438-V499 HydrophobicContact CG-CG1 4.07Å; W438-V499 HydrophobicContact CG-CG2 3.68Å; W438-V499 HydrophobicContact CH2-CG1 4.28Å; W438-V499 HydrophobicContact CZ2-CG1 4.22Å; W438-V499 HydrophobicContact CZ3-CG1 4.05Å; A476-V499 HydrophobicContact CB-CB 4.24Å; A476-V499 HydrophobicContact CB-CG1 4.2Å; A476-V499 HydrophobicContact CB-CG2 4.04Å; A496-V499 PolarHBondContact O-N 2.81Å; S497-V499 VanDerWaalsContact C-N 3.34Å; S497-V499 PolarHBondContact O-N 2.91Å; V499-E501 VanDerWaalsContact C-N 3.35Å; V499-E501 PolarHBondContact O-N 2.71Å; V499-R502 PolarHBondContact O-N 3.33Å; V499-L503 HydrophobicContact CG1-CD1 3.8Å; V499-L503 HydrophobicContact CG1-CG 4.26Å; V499-L503 WeakPolarHBondContact O-CB 3.35Å; V499-L503 WeakPolarHBondContact O-CG 3.29Å; V499-L503 PolarHBondContact O-N 3.38Å
500	A	98.9	Very high	98.5	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.118	C	C	.	.	H	α-helix	trans	-57.6	-46.2	177.9	0	0	0	0	0	112.2	P43 N216 F218 A496 S497 A498 L503 W504	P43-A500 HydrophobicContact CG-CB 4.39Å; N216-A500 HydrophobicContact CB-CB 3.94Å; N216-A500 VanDerWaalsContact O-CB 3.32Å; N216-A500 WeakPolarHBondContact O-CB 3.42Å; F218-A500 HydrophobicContact CD2-CB 3.84Å; F218-A500 HydrophobicContact CE1-CB 4.43Å; F218-A500 HydrophobicContact CE2-CB 3.29Å; F218-A500 HydrophobicContact CZ-CB 3.63Å; A496-A500 PolarHBondContact O-N 2.91Å; S497-A500 VanDerWaalsContact O-CB 3.32Å; S497-A500 WeakPolarHBondContact O-CB 2.97Å; S497-A500 PolarHBondContact O-N 3.35Å; A498-A500 VanDerWaalsContact C-N 3.34Å; A500-L503 PolarHBondContact O-N 2.97Å; A500-W504 VanDerWaalsContact O-CB 3.3Å; A500-W504 WeakPolarHBondContact O-CB 3.3Å; A500-W504 PolarHBondContact O-N 3.49Å
501	E	98.9	Very high	98.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-66.7	-41.9	178.2	-177.4	153.6	106.6	0	0	111.8	W42 P43 L44 Y453 S497 A498 V499 L503 W504 S505 R518	W42-E501 HydrophobicContact CH2-CB 4.2Å; W42-E501 WeakPolarHBondContact CH2-OE1 3.3Å; W42-E501 HydrophobicContact CZ2-CB 3.55Å; W42-E501 HydrophobicContact CZ2-CG 4.29Å; W42-E501 WeakPolarHBondContact CZ3-OE1 3.38Å; P43-E501 WeakPolarHBondContact CA-OE2 3.33Å; P43-E501 HydrophobicContact CB-CB 4.26Å; P43-E501 HydrophobicContact CB-CG 4.37Å; L44-E501 PolarHBondContact N-OE2 3.13Å; Y453-E501 HydrophobicContact CE2-CB 4.14Å; Y453-E501 HydrophobicContact CE2-CG 3.86Å; Y453-E501 VanDerWaalsContact CE2-OE1 3.28Å; Y453-E501 WeakPolarHBondContact CE2-OE1 3.45Å; Y453-E501 PolarHBondContact OH-OE1 3.23Å; Y453-E501 VanDerWaalsContact OH-OE1 3.1Å; S497-E501 PolarHBondContact O-N 3.43Å; A498-E501 PolarHBondContact O-N 2.9Å; V499-E501 VanDerWaalsContact C-N 3.35Å; V499-E501 PolarHBondContact O-N 2.71Å; E501-L503 PolarHBondContact O-N 2.95Å; E501-W504 PolarHBondContact O-N 3.43Å; E501-S505 WeakPolarHBondContact CG-OG 3.38Å; E501-S505 VanDerWaalsContact O-CB 3.3Å; E501-S505 WeakPolarHBondContact O-CB 3.46Å; E501-S505 PolarHBondContact O-N 3.05Å; E501-S505 PolarHBondContact O-OG 3.06Å; E501-R518 IonicContact OE1-CZ 2.79Å; E501-R518 IonicContact OE1-NH1 2.75Å; E501-R518 PolarHBondContact OE1-NH1 2.79Å; E501-R518 IonicContact OE1-NH2 3.68Å; E501-R518 PolarHBondContact OE1-NH2 3.4Å; E501-R518 IonicContact OE2-CZ 2.85Å; E501-R518 IonicContact OE2-NH1 3.42Å; E501-R518 PolarHBondContact OE2-NH1 2.92Å; E501-R518 IonicContact OE2-NH2 3.89Å
502	R	98.8	Very high	98.4	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-34	176.8	-177.8	52.1	61.4	-150.9	-12.4	113	W438 Y453 V455 P457 A498 V499 K507 V509	W438-R502 HydrophobicContact CH2-CG 4.49Å; W438-R502 HydrophobicContact CZ2-CB 4.47Å; W438-R502 HydrophobicContact CZ2-CG 3.98Å; Y453-R502 PolarHBondContact O-NE 3.47Å; Y453-R502 PolarHBondContact O-NH2 2.63Å; V455-R502 WeakPolarHBondContact O-CD 3.42Å; V455-R502 VanDerWaalsContact O-CG 3.25Å; V455-R502 WeakPolarHBondContact O-CG 3.35Å; V455-R502 PolarHBondContact O-NE 3.35Å; P457-R502 HydrophobicContact CG-CG 4.31Å; A498-R502 PolarHBondContact O-N 3.05Å; V499-R502 PolarHBondContact O-N 3.33Å; R502-K507 PolarHBondContact NH1-O 2.89Å; R502-V509 PolarHBondContact NH1-O 2.91Å; R502-V509 PolarHBondContact NH2-O 3.36Å
503	L	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-86.6	-21.6	-179.4	-67.9	178.1	0	0	0	113.9	F187 R190 F218 W438 G474 V499 A500 E501	F187-L503 HydrophobicContact CD2-CD2 3.92Å; F187-L503 HydrophobicContact CE2-CD2 4.46Å; F187-L503 HydrophobicContact CG-CD2 4.38Å; F187-L503 PolarHBondContact N-O 3.34Å; F187-L503 VanDerWaalsContact N-O 3.15Å; R190-L503 HydrophobicContact CB-CB 4.36Å; R190-L503 HydrophobicContact CB-CD1 4.15Å; R190-L503 HydrophobicContact CG-CB 3.82Å; R190-L503 HydrophobicContact CG-CD1 4.32Å; F218-L503 HydrophobicContact CE1-CD1 4.45Å; W438-L503 HydrophobicContact CH2-CD1 4.47Å; W438-L503 HydrophobicContact CH2-CD2 3.65Å; W438-L503 HydrophobicContact CH2-CG 4.03Å; W438-L503 HydrophobicContact CZ3-CD1 4.21Å; W438-L503 HydrophobicContact CZ3-CD2 3.91Å; W438-L503 HydrophobicContact CZ3-CG 4.25Å; G474-L503 WeakPolarHBondContact O-CD1 3.47Å; V499-L503 HydrophobicContact CG1-CD1 3.8Å; V499-L503 HydrophobicContact CG1-CG 4.26Å; V499-L503 WeakPolarHBondContact O-CB 3.35Å; V499-L503 WeakPolarHBondContact O-CG 3.29Å; V499-L503 PolarHBondContact O-N 3.38Å; A500-L503 PolarHBondContact O-N 2.97Å; E501-L503 PolarHBondContact O-N 2.95Å
504	W	98.9	Very high	98.2	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-94.8	-54.1	178.4	-177.5	-81.3	0	0	0	113	P43 Q46 Y136 H157 D183 P185 R186 K217 A500 E501	P43-W504 HydrophobicContact CB-CB 3.71Å; P43-W504 HydrophobicContact CB-CG 3.75Å; P43-W504 HydrophobicContact CG-CB 3.82Å; P43-W504 HydrophobicContact CG-CG 4.05Å; Q46-W504 PolarHBondContact NE2-O 3.46Å; Y136-W504 HydrophobicContact CE1-CH2 4.49Å; Y136-W504 HydrophobicContact CE1-CZ2 4.03Å; H157-W504 HydrophobicContact CB-CH2 3.85Å; H157-W504 HydrophobicContact CB-CZ2 4.48Å; H157-W504 AromaticContact CD2-CH2 3.64Å; H157-W504 AromaticContact CD2-CZ3 3.85Å; H157-W504 AromaticContact CE1-CZ3 4Å; H157-W504 AromaticContact CG-CH2 3.62Å; H157-W504 AromaticContact CG-CZ3 3.91Å; H157-W504 AromaticContact NE2-CZ3 3.89Å; D183-W504 VanDerWaalsContact CG-NE1 3.32Å; D183-W504 PolarHBondContact OD1-NE1 3.26Å; D183-W504 VanDerWaalsContact OD2-CZ2 3.32Å; D183-W504 WeakPolarHBondContact OD2-CZ2 3.05Å; D183-W504 PolarHBondContact OD2-NE1 2.97Å; P185-W504 HydrophobicContact CB-CD2 4.19Å; P185-W504 HydrophobicContact CB-CE3 3.73Å; P185-W504 HydrophobicContact CB-CH2 4.39Å; P185-W504 HydrophobicContact CB-CZ3 3.85Å; P185-W504 HydrophobicContact CG-CZ3 4.25Å; R186-W504 WeakPolarHBondContact CB-O 3.29Å; R186-W504 PolarHBondContact N-O 2.87Å; K217-W504 HydrophobicContact CB-CD2 4.12Å; K217-W504 HydrophobicContact CB-CE3 3.5Å; K217-W504 HydrophobicContact CB-CZ3 3.75Å; K217-W504 HydrophobicContact CD-CD2 3.63Å; K217-W504 HydrophobicContact CD-CE3 3.67Å; K217-W504 HydrophobicContact CD-CG 4.42Å; K217-W504 HydrophobicContact CD-CH2 3.65Å; K217-W504 HydrophobicContact CD-CZ2 3.57Å; K217-W504 HydrophobicContact CD-CZ3 3.68Å; K217-W504 HydrophobicContact CG-CE3 4.25Å; K217-W504 HydrophobicContact CG-CZ3 4.31Å; A500-W504 VanDerWaalsContact O-CB 3.3Å; A500-W504 WeakPolarHBondContact O-CB 3.3Å; A500-W504 PolarHBondContact O-N 3.49Å; E501-W504 PolarHBondContact O-N 3.43Å
505	S	98.8	Very high	98.2	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	16%	0.157	C	C	.	.	S	Bend	trans	-76.4	166.6	-166.3	-61.9	0	0	0	0	113.3	L44 R186 E501	L44-S505 PolarHBondContact N-OG 3.21Å; L44-S505 WeakPolarHBondContact O-CB 3.25Å; L44-S505 PolarHBondContact O-OG 2.79Å; R186-S505 WeakPolarHBondContact CB-O 3.38Å; R186-S505 VanDerWaalsContact CD-O 3.3Å; R186-S505 WeakPolarHBondContact CD-O 3.24Å; E501-S505 WeakPolarHBondContact CG-OG 3.38Å; E501-S505 VanDerWaalsContact O-CB 3.3Å; E501-S505 WeakPolarHBondContact O-CB 3.46Å; E501-S505 PolarHBondContact O-N 3.05Å; E501-S505 PolarHBondContact O-OG 3.06Å
506	A	98.4	Very high	98.2	Very high	18 Å²	18	28.7 Å²	28.7	15%	0.149	16%	0.157	C	C	.	.			trans	-56.3	151.7	175.1	0	0	0	0	0	111.5	E508 V509	A506-E508 PolarHBondContact O-N 2.9Å; A506-E508 VanDerWaalsContact O-N 3.14Å; A506-V509 HydrophobicContact CB-CG2 4.17Å; A506-V509 WeakPolarHBondContact O-CB 3.16Å; A506-V509 PolarHBondContact O-N 2.88Å; A506-V509 VanDerWaalsContact O-N 3.09Å
507	K	97.6	Very high	98.1	Very high	111 Å²	111	28.8 Å²	28.8	48%	0.483	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.5	179.6	176.2	-177.4	175.9	-171.1	0	112.1	R502 V509 T510	R502-K507 PolarHBondContact NH1-O 2.89Å; K507-V509 PolarHBondContact O-N 3.09Å; K507-T510 VanDerWaalsContact O-CG2 3.31Å; K507-T510 WeakPolarHBondContact O-CG2 3.26Å
508	E	97.8	Very high	98	Very high	144 Å²	144	28.8 Å²	28.8	67%	0.673	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.2	-174	-61.3	68.4	-149	0	0	113.1	A506 T510	A506-E508 PolarHBondContact O-N 2.9Å; A506-E508 VanDerWaalsContact O-N 3.14Å; E508-T510 PolarHBondContact O-N 3.28Å
509	V	98.1	Very high	98	Very high	25 Å²	25	28.8 Å²	28.8	15%	0.152	16%	0.158	C	C	.	.			trans	-76.8	88.6	175.1	-175.2	0	0	0	0	108.5	L44 Y453 R502 A506 K507	L44-V509 HydrophobicContact CB-CG1 4.24Å; L44-V509 HydrophobicContact CD2-CG1 3.84Å; L44-V509 HydrophobicContact CD2-CG2 3.95Å; Y453-V509 PolarHBondContact OH-O 3.05Å; R502-V509 PolarHBondContact NH1-O 2.91Å; R502-V509 PolarHBondContact NH2-O 3.36Å; A506-V509 HydrophobicContact CB-CG2 4.17Å; A506-V509 WeakPolarHBondContact O-CB 3.16Å; A506-V509 PolarHBondContact O-N 2.88Å; A506-V509 VanDerWaalsContact O-N 3.09Å; K507-V509 PolarHBondContact O-N 3.09Å
510	T	97.1	Very high	97.9	Very high	82 Å²	82	29.7 Å²	29.7	50%	0.503	16%	0.164	S	C	.	.			trans	-136.1	-1.1	-175.8	63.6	0	0	0	0	113.9	K507 E508 T512	K507-T510 VanDerWaalsContact O-CG2 3.31Å; K507-T510 WeakPolarHBondContact O-CG2 3.26Å; E508-T510 PolarHBondContact O-N 3.28Å; T510-T512 PolarHBondContact O-N 2.83Å; T510-T512 VanDerWaalsContact O-N 3.12Å
511	D	97.3	Very high	97.9	Very high	103 Å²	103	32.9 Å²	32.9	55%	0.551	18%	0.18	S	C	*	.			trans	-66.6	110.7	177.6	-173.2	-40.2	0	0	0	109.9	G513 D514 A515	D511-G513 WeakPolarHBondContact OD1-CA 3.3Å; D511-G513 PolarHBondContact OD1-N 3.21Å; D511-D514 HydrophobicContact CB-CB 4.11Å; D511-D514 PolarHBondContact OD1-N 3.49Å; D511-A515 WeakPolarHBondContact O-CB 3.33Å; D511-A515 PolarHBondContact O-N 3.15Å
512	T	96.6	Very high	97.8	Very high	42 Å²	42	32.8 Å²	32.8	26%	0.258	18%	0.18	S	C	.	.	H	α-helix	trans	-73.2	-27	-176.6	51.5	0	0	0	0	112.9	L450 Y453 T510 F516	L450-T512 HydrophobicContact CD2-CG2 3.85Å; Y453-T512 HydrophobicContact CD1-CG2 4.25Å; Y453-T512 HydrophobicContact CE1-CG2 4.47Å; T510-T512 PolarHBondContact O-N 2.83Å; T510-T512 VanDerWaalsContact O-N 3.12Å; T512-F516 WeakPolarHBondContact O-CB 3.31Å; T512-F516 PolarHBondContact O-N 3.46Å
513	G	96.6	Very high	97.8	Very high	25 Å²	25	33.9 Å²	33.9	26%	0.258	18%	0.184	S	C	.	.	H	α-helix	trans	-71.6	-48.1	176.8	0	0	0	0	0	111.3	D511 F516 S517	D511-G513 WeakPolarHBondContact OD1-CA 3.3Å; D511-G513 PolarHBondContact OD1-N 3.21Å; G513-F516 PolarHBondContact O-N 2.92Å; G513-S517 PolarHBondContact O-N 3.23Å; G513-S517 VanDerWaalsContact O-N 3.14Å; G513-S517 PolarHBondContact O-OG 2.64Å
514	D	97.4	Very high	97.7	Very high	35 Å²	35	35.2 Å²	35.2	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-43.2	173.5	179.5	74.2	0	0	0	111.7	S36 D511 F516 S517 R518	S36-D514 WeakPolarHBondContact CB-OD1 3.04Å; S36-D514 PolarHBondContact OG-OD1 2.96Å; D511-D514 HydrophobicContact CB-CB 4.11Å; D511-D514 PolarHBondContact OD1-N 3.49Å; D514-F516 PolarHBondContact O-N 2.92Å; D514-S517 PolarHBondContact O-N 2.84Å; D514-R518 PolarHBondContact O-N 3.3Å; D514-R518 IonicContact OD2-CZ 3.71Å; D514-R518 IonicContact OD2-NE 3.13Å; D514-R518 PolarHBondContact OD2-NE 3.03Å; D514-R518 IonicContact OD2-NH2 3.24Å; D514-R518 PolarHBondContact OD2-NH2 3.38Å
515	A	98.1	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-45.7	175.8	0	0	0	0	0	112	W42 W449 Y453 D511 S517 R518 L519	W42-A515 HydrophobicContact CH2-CB 4.18Å; W42-A515 HydrophobicContact CZ3-CB 4.06Å; W42-A515 VanDerWaalsContact CZ3-O 3.3Å; W42-A515 WeakPolarHBondContact CZ3-O 3.2Å; W449-A515 HydrophobicContact CH2-CB 4.36Å; W449-A515 HydrophobicContact CZ3-CB 4.31Å; Y453-A515 HydrophobicContact CE1-CB 3.82Å; Y453-A515 HydrophobicContact CE2-CB 4.1Å; D511-A515 WeakPolarHBondContact O-CB 3.33Å; D511-A515 PolarHBondContact O-N 3.15Å; A515-S517 VanDerWaalsContact C-N 3.32Å; A515-S517 PolarHBondContact O-N 2.56Å; A515-R518 PolarHBondContact O-N 2.87Å; A515-L519 WeakPolarHBondContact O-CB 3.13Å; A515-L519 PolarHBondContact O-N 2.91Å
516	F	97.8	Very high	97.5	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-43.8	177	170.5	-98.8	0	0	0	112.3	L31 F33 W449 T512 G513 D514 S520 L536 T537	L31-F516 HydrophobicContact CB-CB 4.24Å; L31-F516 HydrophobicContact CB-CD1 3.93Å; L31-F516 HydrophobicContact CB-CD2 4.04Å; L31-F516 HydrophobicContact CB-CE1 4.32Å; L31-F516 HydrophobicContact CB-CE2 4.42Å; L31-F516 HydrophobicContact CB-CG 3.78Å; L31-F516 HydrophobicContact CD1-CB 3.96Å; L31-F516 HydrophobicContact CD1-CD2 4.18Å; L31-F516 HydrophobicContact CD1-CG 4.16Å; F33-F516 HydrophobicContact CB-CE1 4.17Å; W449-F516 HydrophobicContact CH2-CB 3.97Å; W449-F516 HydrophobicContact CZ2-CB 3.91Å; W449-F516 AromaticContact CZ2-CD2 3.92Å; W449-F516 HydrophobicContact CZ2-CD2 3.92Å; W449-F516 HydrophobicContact CZ2-CG 4.42Å; T512-F516 WeakPolarHBondContact O-CB 3.31Å; T512-F516 PolarHBondContact O-N 3.46Å; G513-F516 PolarHBondContact O-N 2.92Å; D514-F516 PolarHBondContact O-N 2.92Å; F516-S520 VanDerWaalsContact O-CB 3.3Å; F516-S520 WeakPolarHBondContact O-CB 3.34Å; F516-S520 PolarHBondContact O-N 2.73Å; F516-S520 PolarHBondContact O-OG 3.36Å; F516-L536 HydrophobicContact CD2-CD1 4.29Å; F516-L536 HydrophobicContact CE2-CB 4.21Å; F516-L536 HydrophobicContact CE2-CD1 4.36Å; F516-T537 HydrophobicContact CE2-CG2 3.76Å; F516-T537 HydrophobicContact CZ-CG2 3.54Å
517	S	97.1	Very high	97.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-48.4	177.2	-66.4	0	0	0	0	112.3	F33 Q34 G513 D514 A515 L521	F33-S517 WeakPolarHBondContact CE2-O 3.46Å; Q34-S517 PolarHBondContact N-OG 3.34Å; Q34-S517 WeakPolarHBondContact O-CB 3.48Å; Q34-S517 PolarHBondContact O-OG 3.03Å; G513-S517 PolarHBondContact O-N 3.23Å; G513-S517 VanDerWaalsContact O-N 3.14Å; G513-S517 PolarHBondContact O-OG 2.64Å; D514-S517 PolarHBondContact O-N 2.84Å; A515-S517 VanDerWaalsContact C-N 3.32Å; A515-S517 PolarHBondContact O-N 2.56Å; S517-L521 PolarHBondContact O-N 3.11Å
518	R	98.3	Very high	97.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-43.4	179.3	-68.3	-175.7	-66.6	94.6	3	111.8	L41 W42 E501 D514 A515 S520 L521 H522	L41-R518 WeakPolarHBondContact O-CD 3.26Å; L41-R518 PolarHBondContact O-NH1 3.49Å; W42-R518 HydrophobicContact CE3-CB 3.95Å; W42-R518 HydrophobicContact CZ3-CB 4.35Å; E501-R518 IonicContact OE1-CZ 2.79Å; E501-R518 IonicContact OE1-NH1 2.75Å; E501-R518 PolarHBondContact OE1-NH1 2.79Å; E501-R518 IonicContact OE1-NH2 3.68Å; E501-R518 PolarHBondContact OE1-NH2 3.4Å; E501-R518 IonicContact OE2-CZ 2.85Å; E501-R518 IonicContact OE2-NH1 3.42Å; E501-R518 PolarHBondContact OE2-NH1 2.92Å; E501-R518 IonicContact OE2-NH2 3.89Å; D514-R518 PolarHBondContact O-N 3.3Å; D514-R518 IonicContact OD2-CZ 3.71Å; D514-R518 IonicContact OD2-NE 3.13Å; D514-R518 PolarHBondContact OD2-NE 3.03Å; D514-R518 IonicContact OD2-NH2 3.24Å; D514-R518 PolarHBondContact OD2-NH2 3.38Å; A515-R518 PolarHBondContact O-N 2.87Å; R518-S520 VanDerWaalsContact C-N 3.34Å; R518-S520 PolarHBondContact O-N 3.3Å; R518-L521 PolarHBondContact O-N 3.14Å; R518-H522 WeakPolarHBondContact O-CB 3.44Å; R518-H522 PolarHBondContact O-N 3.37Å
519	L	98.4	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-37.9	-180	-170.1	54.4	0	0	0	111.8	W42 W449 P494 A515 L521 H522 R523 L536	W42-L519 HydrophobicContact CD2-CB 4.47Å; W42-L519 HydrophobicContact CD2-CD1 3.84Å; W42-L519 HydrophobicContact CE3-CB 3.85Å; W42-L519 HydrophobicContact CE3-CD1 4.09Å; W42-L519 HydrophobicContact CG-CD1 4.46Å; W42-L519 HydrophobicContact CH2-CB 3.89Å; W42-L519 HydrophobicContact CH2-CD1 4.05Å; W42-L519 HydrophobicContact CH2-CD2 4.06Å; W42-L519 HydrophobicContact CH2-CG 4.21Å; W42-L519 HydrophobicContact CZ2-CB 4.48Å; W42-L519 HydrophobicContact CZ2-CD1 3.78Å; W42-L519 HydrophobicContact CZ2-CD2 4.26Å; W42-L519 HydrophobicContact CZ2-CG 4.39Å; W42-L519 HydrophobicContact CZ3-CB 3.55Å; W42-L519 HydrophobicContact CZ3-CD1 4.21Å; W42-L519 HydrophobicContact CZ3-CG 4.31Å; W449-L519 HydrophobicContact CD2-CD2 3.88Å; W449-L519 HydrophobicContact CE3-CD2 3.67Å; W449-L519 HydrophobicContact CG-CD2 4.42Å; W449-L519 HydrophobicContact CZ3-CD2 4.03Å; P494-L519 HydrophobicContact CB-CD1 4.05Å; P494-L519 HydrophobicContact CB-CG 4.45Å; A515-L519 WeakPolarHBondContact O-CB 3.13Å; A515-L519 PolarHBondContact O-N 2.91Å; L519-L521 VanDerWaalsContact C-N 3.33Å; L519-L521 PolarHBondContact O-N 3.08Å; L519-H522 PolarHBondContact O-N 2.82Å; L519-R523 VanDerWaalsContact O-CB 3.29Å; L519-R523 WeakPolarHBondContact O-CB 3.45Å; L519-R523 PolarHBondContact O-N 2.79Å; L519-L536 HydrophobicContact CB-CD1 4.03Å; L519-L536 HydrophobicContact CD2-CD1 4.02Å; L519-L536 HydrophobicContact CD2-CD2 3.86Å; L519-L536 HydrophobicContact CG-CD1 3.8Å; L519-L536 HydrophobicContact CG-CD2 4.29Å
520	S	97.3	Very high	96.7	Very high	20 Å²	20	30.8 Å²	30.8	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-44.6	175.1	-64.1	0	0	0	0	111.5	F516 R518 C524	F516-S520 VanDerWaalsContact O-CB 3.3Å; F516-S520 WeakPolarHBondContact O-CB 3.34Å; F516-S520 PolarHBondContact O-N 2.73Å; F516-S520 PolarHBondContact O-OG 3.36Å; R518-S520 VanDerWaalsContact C-N 3.34Å; R518-S520 PolarHBondContact O-N 3.3Å; S520-C524 PolarHBondContact O-N 2.94Å; S520-C524 VanDerWaalsContact O-N 3.11Å
521	L	97.1	Very high	96.7	Very high	68 Å²	68	27.4 Å²	27.4	36%	0.356	16%	0.157	S	C	.	.	H	α-helix	trans	-70	-40.3	176.8	-63.4	177	0	0	0	112.1	F33 S40 S517 R518 L519 C524 R525	F33-L521 HydrophobicContact CE2-CD1 4.29Å; F33-L521 HydrophobicContact CE2-CD2 4.17Å; F33-L521 HydrophobicContact CE2-CG 3.98Å; F33-L521 HydrophobicContact CZ-CD1 4.18Å; F33-L521 HydrophobicContact CZ-CD2 4.16Å; F33-L521 HydrophobicContact CZ-CG 4.23Å; S40-L521 VanDerWaalsContact CB-CB 3.42Å; S517-L521 PolarHBondContact O-N 3.11Å; R518-L521 PolarHBondContact O-N 3.14Å; L519-L521 VanDerWaalsContact C-N 3.33Å; L519-L521 PolarHBondContact O-N 3.08Å; L521-C524 PolarHBondContact O-N 3.07Å; L521-R525 PolarHBondContact O-N 3.23Å
522	H	98.3	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-43.8	174.3	179.9	57.6	0	0	0	111.6	W42 N216 R518 L519 C524 R525 L526	W42-H522 HydrophobicContact CB-CB 3.82Å; W42-H522 AromaticContact CD1-CD2 3.67Å; W42-H522 AromaticContact CD1-NE2 3.86Å; W42-H522 HydrophobicContact CG-CB 4.26Å; W42-H522 AromaticContact CG-CD2 3.76Å; N216-H522 PolarHBondContact OD1-NE2 3.29Å; R518-H522 WeakPolarHBondContact O-CB 3.44Å; R518-H522 PolarHBondContact O-N 3.37Å; L519-H522 PolarHBondContact O-N 2.82Å; H522-C524 VanDerWaalsContact C-N 3.32Å; H522-C524 PolarHBondContact O-N 3.11Å; H522-R525 PolarHBondContact ND1-NH1 3.15Å; H522-R525 WeakPolarHBondContact O-CA 3.27Å; H522-R525 VanDerWaalsContact O-CB 3.3Å; H522-R525 WeakPolarHBondContact O-CB 3.49Å; H522-R525 PolarHBondContact O-N 2.04Å; H522-L526 WeakPolarHBondContact O-CG 3.3Å; H522-L526 PolarHBondContact O-N 3.26Å
523	R	97.8	Very high	96.7	Very high	27 Å²	27	22.6 Å²	22.6	10%	0.102	13%	0.132	C	C	.	.	H	α-helix	trans	-57.1	-45.4	173.7	-179.6	-88.7	178.6	177.9	-6.2	111.2	P494 L519 R525 L526 V527 A533 E534 C541	P494-R523 HydrophobicContact CB-CB 4.4Å; P494-R523 HydrophobicContact CG-CB 4.34Å; P494-R523 HydrophobicContact CG-CG 4.1Å; L519-R523 VanDerWaalsContact O-CB 3.29Å; L519-R523 WeakPolarHBondContact O-CB 3.45Å; L519-R523 PolarHBondContact O-N 2.79Å; R523-R525 VanDerWaalsContact C-N 3.3Å; R523-R525 PolarHBondContact O-N 3.28Å; R523-L526 WeakPolarHBondContact O-CB 3.17Å; R523-L526 PolarHBondContact O-N 3.02Å; R523-V527 WeakPolarHBondContact O-CG2 3.12Å; R523-V527 PolarHBondContact O-N 2.97Å; R523-A533 HydrophobicContact CG-CB 4.12Å; R523-A533 PolarHBondContact NE-O 2.88Å; R523-A533 VanDerWaalsContact NE-O 3.09Å; R523-A533 PolarHBondContact NH2-O 3.16Å; R523-E534 WeakPolarHBondContact CG-O 3.44Å; R523-E534 PolarHBondContact NE-O 3.21Å; R523-C541 PolarHBondContact NH1-SG 3.3Å
524	C	96.9	Very high	96.7	Very high	29 Å²	29	24.4 Å²	24.4	20%	0.196	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-35.7	175.4	-71.1	0	0	0	0	112.7	S520 L521 H522 V527 E528 C541	S520-C524 PolarHBondContact O-N 2.94Å; S520-C524 VanDerWaalsContact O-N 3.11Å; L521-C524 PolarHBondContact O-N 3.07Å; H522-C524 VanDerWaalsContact C-N 3.32Å; H522-C524 PolarHBondContact O-N 3.11Å; C524-V527 PolarHBondContact O-N 2.8Å; C524-E528 PolarHBondContact O-N 3.24Å; C524-C541 WeakPolarHBondContact CA-SG 3.38Å; C524-C541 HydrophobicContact CB-CB 3.77Å; C524-C541 WeakPolarHBondContact CB-SG 3.49Å; C524-C541 VanDerWaalsContact SG-CA 3.53Å; C524-C541 WeakPolarHBondContact SG-CB 3.41Å; C524-C541 CovalentContact SG-SG 2.04Å; C524-C541 PolarHBondContact SG-SG 3.38Å
525	R	96.4	Very high	96.7	Very high	20 Å²	20	26.4 Å²	26.4	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-40.7	173.2	-166.9	-170	-58.5	136.4	-2.1	112.1	S40 Q164 L521 H522 R523 V527 E528 R529	S40-R525 VanDerWaalsContact CB-NH2 3.27Å; S40-R525 PolarHBondContact O-NH2 3.49Å; S40-R525 PolarHBondContact OG-NH2 3.29Å; Q164-R525 PolarHBondContact O-NH2 2.93Å; L521-R525 PolarHBondContact O-N 3.23Å; H522-R525 PolarHBondContact ND1-NH1 3.15Å; H522-R525 WeakPolarHBondContact O-CA 3.27Å; H522-R525 VanDerWaalsContact O-CB 3.3Å; H522-R525 WeakPolarHBondContact O-CB 3.49Å; H522-R525 PolarHBondContact O-N 2.04Å; R523-R525 VanDerWaalsContact C-N 3.3Å; R523-R525 PolarHBondContact O-N 3.28Å; R525-V527 VanDerWaalsContact C-N 3.32Å; R525-V527 PolarHBondContact O-N 3.12Å; R525-E528 PolarHBondContact O-N 3.22Å; R525-R529 WeakPolarHBondContact O-CB 3.43Å; R525-R529 VanDerWaalsContact O-CG 3.31Å; R525-R529 WeakPolarHBondContact O-CG 3.4Å; R525-R529 PolarHBondContact O-N 2.92Å
526	L	96.6	Very high	96.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-45.8	173.7	-64.7	180	0	0	0	110.4	I212 M215 H522 R523 E528 R529 G530 I531 A533	I212-L526 HydrophobicContact CG2-CD1 4.34Å; I212-L526 HydrophobicContact CG2-CD2 4.17Å; M215-L526 HydrophobicContact CB-CD2 4.19Å; M215-L526 HydrophobicContact SD-CD2 3.56Å; M215-L526 VanDerWaalsContact SD-CD2 3.56Å; H522-L526 WeakPolarHBondContact O-CG 3.3Å; H522-L526 PolarHBondContact O-N 3.26Å; R523-L526 WeakPolarHBondContact O-CB 3.17Å; R523-L526 PolarHBondContact O-N 3.02Å; L526-E528 PolarHBondContact O-N 3.05Å; L526-R529 CarbonylContact O-C 3.5Å; L526-R529 WeakPolarHBondContact O-CA 3.21Å; L526-R529 PolarHBondContact O-N 2.8Å; L526-R529 VanDerWaalsContact O-N 3.15Å; L526-G530 PolarHBondContact O-N 2.94Å; L526-I531 HydrophobicContact CB-CB 4.1Å; L526-I531 HydrophobicContact CB-CG2 4.41Å; L526-I531 VanDerWaalsContact O-CB 3.24Å; L526-I531 WeakPolarHBondContact O-CB 3.3Å; L526-I531 PolarHBondContact O-N 3.21Å; L526-A533 HydrophobicContact CB-CB 4.18Å; L526-A533 HydrophobicContact CD1-CB 4.15Å
527	V	95.9	Very high	96.3	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.036	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-44.2	176.4	172.9	0	0	0	0	112.2	R523 C524 R525 R529 G530 I531 H543 Y545	R523-V527 WeakPolarHBondContact O-CG2 3.12Å; R523-V527 PolarHBondContact O-N 2.97Å; C524-V527 PolarHBondContact O-N 2.8Å; R525-V527 VanDerWaalsContact C-N 3.32Å; R525-V527 PolarHBondContact O-N 3.12Å; V527-R529 VanDerWaalsContact C-N 3.25Å; V527-R529 PolarHBondContact O-N 3.13Å; V527-G530 WeakPolarHBondContact O-CA 3.28Å; V527-G530 PolarHBondContact O-N 2.98Å; V527-I531 VanDerWaalsContact CA-O 3.3Å; V527-I531 WeakPolarHBondContact CA-O 3.49Å; V527-H543 WeakPolarHBondContact CG1-O 3.39Å; V527-Y545 VanDerWaalsContact CG1-N 3.32Å
528	E	93.3	Very high	96.2	Very high	97 Å²	97	34.9 Å²	34.9	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-36.8	175.2	-173.9	-175.6	179.3	0	0	111.9	C524 R525 L526 G530 H543	C524-E528 PolarHBondContact O-N 3.24Å; R525-E528 PolarHBondContact O-N 3.22Å; L526-E528 PolarHBondContact O-N 3.05Å; E528-G530 PolarHBondContact O-N 3.42Å; E528-H543 HydrophobicContact CG-CB 4.49Å; E528-H543 IonicContact OE1-CD2 3.89Å
529	R	93.8	Very high	95.8	Very high	43 Å²	43	38.5 Å²	38.5	16%	0.162	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	8	173.7	-66.9	176.4	-179.4	-177.9	-1.5	113.5	Y89 E160 S163 M215 R525 L526 V527	Y89-R529 HydrophobicContact CD1-CG 4.32Å; E160-R529 IonicContact OE1-CZ 3.48Å; E160-R529 IonicContact OE1-NH1 3.33Å; E160-R529 PolarHBondContact OE1-NH1 3.38Å; E160-R529 VanDerWaalsContact OE1-NH1 3.08Å; E160-R529 IonicContact OE1-NH2 2.63Å; E160-R529 IonicContact OE2-NH1 3.74Å; E160-R529 PolarHBondContact OE2-NH1 3.46Å; S163-R529 PolarHBondContact OG-NH2 2.92Å; M215-R529 HydrophobicContact CE-CB 4.27Å; M215-R529 WeakPolarHBondContact SD-CD 3.46Å; M215-R529 PolarHBondContact SD-NH1 2.93Å; R525-R529 WeakPolarHBondContact O-CB 3.43Å; R525-R529 VanDerWaalsContact O-CG 3.31Å; R525-R529 WeakPolarHBondContact O-CG 3.4Å; R525-R529 PolarHBondContact O-N 2.92Å; L526-R529 CarbonylContact O-C 3.5Å; L526-R529 WeakPolarHBondContact O-CA 3.21Å; L526-R529 PolarHBondContact O-N 2.8Å; L526-R529 VanDerWaalsContact O-N 3.15Å; V527-R529 VanDerWaalsContact C-N 3.25Å; V527-R529 PolarHBondContact O-N 3.13Å
530	G	93.6	Very high	95.6	Very high	41 Å²	41	46.2 Å²	46.2	42%	0.423	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	16.6	175.8	0	0	0	0	0	114.7	L526 V527 E528	L526-G530 PolarHBondContact O-N 2.94Å; V527-G530 WeakPolarHBondContact O-CA 3.28Å; V527-G530 PolarHBondContact O-N 2.98Å; E528-G530 PolarHBondContact O-N 3.42Å
531	I	95.8	Very high	95.4	Very high	11 Å²	11	45.5 Å²	45.5	6%	0.056	26%	0.257	C	S	.	.			trans	-95.3	122.6	178.8	-54.2	-60	0	0	0	109.7	T208 I212 T489 L526 V527 A533	T208-I531 HydrophobicContact CG2-CD1 3.76Å; I212-I531 HydrophobicContact CD1-CD1 3.96Å; I212-I531 HydrophobicContact CD1-CG1 4.32Å; I212-I531 HydrophobicContact CD1-CG2 3.43Å; I212-I531 VanDerWaalsContact CD1-CG2 3.43Å; I212-I531 HydrophobicContact CG1-CD1 3.69Å; I212-I531 HydrophobicContact CG1-CG1 3.91Å; I212-I531 HydrophobicContact CG1-CG2 3.84Å; T489-I531 HydrophobicContact CG2-CG2 3.68Å; L526-I531 HydrophobicContact CB-CB 4.1Å; L526-I531 HydrophobicContact CB-CG2 4.41Å; L526-I531 VanDerWaalsContact O-CB 3.24Å; L526-I531 WeakPolarHBondContact O-CB 3.3Å; L526-I531 PolarHBondContact O-N 3.21Å; V527-I531 VanDerWaalsContact CA-O 3.3Å; V527-I531 WeakPolarHBondContact CA-O 3.49Å; I531-A533 PolarHBondContact O-N 2.87Å
532	P	95.9	Very high	95	Very high	40 Å²	40	49 Å²	49	26%	0.26	28%	0.275	S	S	.	.			trans	-76.5	64.9	176.5	31.8	-36.2	0	0	0	111.9	T489 P490 Y545	T489-P532 HydrophobicContact CG2-CG 3.77Å; P490-P532 VanDerWaalsContact CA-O 3.27Å; P490-P532 WeakPolarHBondContact CA-O 3.26Å; P490-P532 WeakPolarHBondContact CB-O 3.45Å; P532-Y545 HydrophobicContact CB-CD1 4.36Å; P532-Y545 HydrophobicContact CB-CD2 4.28Å; P532-Y545 HydrophobicContact CB-CE1 3.96Å; P532-Y545 HydrophobicContact CB-CE2 3.9Å; P532-Y545 HydrophobicContact CB-CG 4.49Å; P532-Y545 HydrophobicContact CG-CE2 4.35Å
533	A	97.6	Very high	94.6	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-73.4	134.5	173.6	0	0	0	0	0	110.7	W493 R523 L526 I531	W493-A533 HydrophobicContact CB-CB 4.19Å; W493-A533 CarbonylContact O-C 3.49Å; W493-A533 VanDerWaalsContact O-CA 3.26Å; W493-A533 WeakPolarHBondContact O-CA 3.34Å; R523-A533 HydrophobicContact CG-CB 4.12Å; R523-A533 PolarHBondContact NE-O 2.88Å; R523-A533 VanDerWaalsContact NE-O 3.09Å; R523-A533 PolarHBondContact NH2-O 3.16Å; L526-A533 HydrophobicContact CB-CB 4.18Å; L526-A533 HydrophobicContact CD1-CB 4.15Å; I531-A533 PolarHBondContact O-N 2.87Å
534	E	97	Very high	94.3	Very high	63 Å²	63	55.6 Å²	55.6	29%	0.294	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-66.4	154.8	-178.9	72.9	-176.4	178.9	0	0	112	P490 W493 P494 R495 R523	P490-E534 HydrophobicContact CB-CB 4.25Å; P490-E534 WeakPolarHBondContact O-CB 3.06Å; P490-E534 WeakPolarHBondContact O-CG 3.38Å; W493-E534 PolarHBondContact O-N 3.05Å; P494-E534 WeakPolarHBondContact CD-O 3.41Å; R495-E534 VanDerWaalsContact CD-OE1 3.26Å; R495-E534 WeakPolarHBondContact CD-OE1 3.41Å; R495-E534 WeakPolarHBondContact CG-OE1 3.08Å; R495-E534 IonicContact NE-OE1 2.69Å; R495-E534 PolarHBondContact NE-OE1 3.46Å; R523-E534 WeakPolarHBondContact CG-O 3.44Å; R523-E534 PolarHBondContact NE-O 3.21Å
535	P	97.1	Very high	94.1	Very high	78 Å²	78	58.4 Å²	58.4	51%	0.506	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-74.5	149.8	174.1	31	-34.2	0	0	0	111.5
536	L	95.4	Very high	93.6	Very high	22 Å²	22	66.5 Å²	66.5	12%	0.115	35%	0.35	C	S	.	.	S	Bend	trans	-80.8	-34.2	174.6	-60.2	168.5	0	0	0	112.5	W449 P494 F516 L519	W449-L536 HydrophobicContact CD2-CD2 4.41Å; W449-L536 HydrophobicContact CG-CD2 4.02Å; P494-L536 HydrophobicContact CG-CD2 3.52Å; P494-L536 HydrophobicContact CG-CG 4.15Å; F516-L536 HydrophobicContact CD2-CD1 4.29Å; F516-L536 HydrophobicContact CE2-CB 4.21Å; F516-L536 HydrophobicContact CE2-CD1 4.36Å; L519-L536 HydrophobicContact CB-CD1 4.03Å; L519-L536 HydrophobicContact CD2-CD1 4.02Å; L519-L536 HydrophobicContact CD2-CD2 3.86Å; L519-L536 HydrophobicContact CG-CD1 3.8Å; L519-L536 HydrophobicContact CG-CD2 4.29Å
537	T	93.5	Very high	92.6	Very high	35 Å²	35	68.4 Å²	68.4	22%	0.215	37%	0.37	C	S	.	.	S	Bend	trans	-161.8	166.6	-175	-161.2	0	0	0	0	108.5	F516 S539	F516-T537 HydrophobicContact CE2-CG2 3.76Å; F516-T537 HydrophobicContact CZ-CG2 3.54Å; T537-S539 PolarHBondContact O-N 2.98Å; T537-S539 PolarHBondContact O-OG 3.19Å
538	P	93.4	Very high	90.7	Very high	128 Å²	128	77.6 Å²	77.6	83%	0.831	42%	0.416	S	S	*	.	S	Bend	trans	-53	115.7	172.9	-27.9	38.1	0	0	0	112
539	S	91.6	Very high	90.5	Very high	77 Å²	77	76.6 Å²	76.6	54%	0.538	42%	0.415	S	S	.	.			trans	-165.5	-177.1	-174.9	56.6	0	0	0	0	109.9	T537	T537-S539 PolarHBondContact O-N 2.98Å; T537-S539 PolarHBondContact O-OG 3.19Å
540	F	93.6	Very high	90.4	Very high	161 Å²	161	78.4 Å²	78.4	71%	0.706	43%	0.428	S	S	*	.			trans	-138.1	156.8	174.6	75.5	-79.9	0	0	0	110.7
541	C	93.7	Very high	90.2	Very high	5 Å²	5	80.4 Å²	80.4	3%	0.034	43%	0.428	C	S	.	.			trans	-109	146	166.8	-63.6	0	0	0	0	109.8	R523 C524 H543 E544	R523-C541 PolarHBondContact NH1-SG 3.3Å; C524-C541 WeakPolarHBondContact CA-SG 3.38Å; C524-C541 HydrophobicContact CB-CB 3.77Å; C524-C541 WeakPolarHBondContact CB-SG 3.49Å; C524-C541 VanDerWaalsContact SG-CA 3.53Å; C524-C541 WeakPolarHBondContact SG-CB 3.41Å; C524-C541 CovalentContact SG-SG 2.04Å; C524-C541 PolarHBondContact SG-SG 3.38Å; C541-H543 PolarHBondContact O-N 3.24Å; C541-E544 PolarHBondContact N-OE1 3.09Å
542	L	88.9	Confident	89.8	Confident	141 Å²	141	84.5 Å²	84.5	74%	0.738	45%	0.45	S	S	*	.	S	Bend	trans	-57.3	-35	175.2	-177.2	64.6	0	0	0	111.7
543	H	88.3	Confident	89.5	Confident	70 Å²	70	87.3 Å²	87.3	32%	0.324	46%	0.462	S	S	.	.	S	Bend	trans	-115.9	98.6	172.9	-59.6	-41.6	0	0	0	109.3	V527 E528 C541	V527-H543 WeakPolarHBondContact CG1-O 3.39Å; E528-H543 HydrophobicContact CG-CB 4.49Å; E528-H543 IonicContact OE1-CD2 3.89Å; C541-H543 PolarHBondContact O-N 3.24Å
544	E	92.8	Very high	88.9	Confident	97 Å²	97	92.9 Å²	92.9	45%	0.453	49%	0.491	S	S	.	.			trans	-70.1	156.3	174.8	-72.5	-60.4	160.2	0	0	112.3	C541 K546	C541-E544 PolarHBondContact N-OE1 3.09Å; E544-K546 PolarHBondContact O-N 3.5Å
545	Y	91.8	Very high	88.4	Confident	87 Å²	87	95.1 Å²	95.1	34%	0.341	51%	0.505	S	S	.	.			trans	-61.6	124.8	178.3	-177.6	-113.8	0	0	0	110.6	V527 P532	V527-Y545 VanDerWaalsContact CG1-N 3.32Å; P532-Y545 HydrophobicContact CB-CD1 4.36Å; P532-Y545 HydrophobicContact CB-CD2 4.28Å; P532-Y545 HydrophobicContact CB-CE1 3.96Å; P532-Y545 HydrophobicContact CB-CE2 3.9Å; P532-Y545 HydrophobicContact CB-CG 4.49Å; P532-Y545 HydrophobicContact CG-CE2 4.35Å
546	K	85.5	Confident	87.7	Confident	191 Å²	191	96.4 Å²	96.4	83%	0.83	51%	0.505	S	S	*	.			trans	-91.6	-0.9	-173.1	-66	-177	-179.8	171.2	0	114.7	E544	E544-K546 PolarHBondContact O-N 3.5Å
547	G	77.1	Confident	87	Confident	41 Å²	41	102.6 Å²	102.6	42%	0.423	54%	0.537	S	S	.	.			trans	72	159.4	-169.1	0	0	0	0	0	112.2
548	I	54.3	Low	86.4	Confident	198 Å²	198	108.7 Å²	108.7	100%	1.015	57%	0.567	S	S	*	*			trans	-90.3	0	167.6	-57.4	174.7	0	0	0	108.3

Retrieved 548 of 548 residues in 542.3 ms (Link to these results)

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