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Isoform a of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase pps-1

Canonical isoform description: Bifunctional enzyme with both ATP sulfurylase and APS kinase activity, which mediates two steps in the sulfate activation pathway¹. The first step is the transfer of a sulfate group to ATP to yield adenosine 5'-phosphosulfate (APS), and the second step is the transfer of a phosphate group from ATP to APS yielding 3'-phosphoadenylylsulfate (PAPS: activated sulfate donor used by sulfotransferase)². Required for normal growth and development³. Involved in several aspects of both embryonic and postembryonic development, including molting, changes in cell shape, and patterning of epithelial and muscle cells⁴.

AlphaFold DB (Q22501), UniProt , Accession A0A061AE05-2 (canonical: A0A061AE05), Species CAEEL (Caenorhabditis elegans), Gene pps-1, Length 652 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	36	Very low	31.7	Very low	246 Å²	246	169.2 Å²	169.2	100%	1.212	89%	0.889	S	S	*	*				0	99.3	0	-78	179.2	-172	0	0	107.1
2	L	27.4	Very low	31.9	Very low	177 Å²	177	169.5 Å²	169.5	93%	0.927	89%	0.892	S	S	*	*			trans	-125.4	122.7	173.8	-78.9	164	0	0	0	106.5
3	T	28.9	Very low	31.7	Very low	133 Å²	133	163.7 Å²	163.7	82%	0.816	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-67.3	150.4	177.3	38.1	0	0	0	0	111.6
4	P	33.8	Very low	31.6	Very low	122 Å²	122	164.4 Å²	164.4	79%	0.792	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-79.4	145.7	-178.4	30.3	-27.2	0	0	0	111.7
5	R	31.3	Very low	31.4	Very low	244 Å²	244	161.6 Å²	161.6	92%	0.921	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-91.1	137	167.6	-85.7	-177.5	173.5	175.9	-2.1	109.1
6	D	29.7	Very low	31.6	Very low	164 Å²	164	162.6 Å²	162.6	88%	0.877	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-55.1	130	-177.1	-66.4	-57.3	0	0	0	113.8
7	E	34.2	Very low	31.7	Very low	181 Å²	181	163.1 Å²	163.1	85%	0.846	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-75	120.1	160.6	-67.6	175.4	161.1	0	0	108.3
8	N	32	Very low	31.8	Very low	159 Å²	159	165.4 Å²	165.4	85%	0.85	88%	0.877	S	S	*	*			trans	-177	89.9	149.8	-91.1	-29.4	0	0	0	109.4
9	N	30.7	Very low	32.3	Very low	168 Å²	168	163.7 Å²	163.7	90%	0.898	86%	0.862	S	S	*	*			trans	-153	81.3	153.1	-140.5	10	0	0	0	108.6	G11	N9-G11 PolarHBondContact O-N 3.46Å
10	E	34.3	Very low	32.7	Very low	197 Å²	197	161.1 Å²	161.1	92%	0.921	86%	0.855	S	S	*	*			trans	-74.8	110.7	168.1	-72.4	-174.3	154	0	0	108.6
11	G	30.4	Very low	33	Very low	70 Å²	70	165 Å²	165	72%	0.722	86%	0.858	S	S	*	*			trans	-133.9	105.2	169	0	0	0	0	0	109.6	N9 A13	N9-G11 PolarHBondContact O-N 3.46Å; G11-A13 PolarHBondContact O-N 3.4Å
12	D	34.3	Very low	33.4	Very low	173 Å²	173	158.7 Å²	158.7	93%	0.925	82%	0.821	S	S	*	*			trans	28.6	77.3	164.3	-76.2	-23.4	0	0	0	117.9
13	A	29.6	Very low	34.2	Very low	94 Å²	94	154.8 Å²	154.8	78%	0.777	81%	0.809	S	S	*	*			trans	-81.8	124.1	156.8	0	0	0	0	0	109.6	G11	G11-A13 PolarHBondContact O-N 3.4Å
14	M	30.3	Very low	34.8	Very low	174 Å²	174	153.1 Å²	153.1	86%	0.857	80%	0.803	S	S	*	*			trans	-50.1	144.3	166.1	-76.2	-148.3	-168.7	0	0	110.2	M16	M14-M16 PolarHBondContact O-N 2.76Å
15	P	28.3	Very low	35.5	Very low	122 Å²	122	155.8 Å²	155.8	79%	0.792	81%	0.809	S	S	*	*			trans	-63.1	107.6	-176.3	24.9	-31.3	0	0	0	109.7	L17	P15-L17 PolarHBondContact O-N 2.89Å
16	M	33.7	Very low	36.3	Very low	178 Å²	178	147.4 Å²	147.4	88%	0.877	79%	0.788	S	S	*	*			trans	-52.7	110.1	165	-74.6	-99.5	-160.3	0	0	107.3	M14 K18	M14-M16 PolarHBondContact O-N 2.76Å; M16-K18 PolarHBondContact O-N 3.37Å
17	L	34.5	Very low	37.2	Very low	170 Å²	170	143.7 Å²	143.7	89%	0.89	79%	0.789	S	S	*	*			trans	-51.5	110.9	167.6	-86.5	153.2	0	0	0	107.2	P15 K19	P15-L17 PolarHBondContact O-N 2.89Å; L17-K19 PolarHBondContact O-N 3.23Å
18	K	33	Very low	38.1	Very low	205 Å²	205	143.8 Å²	143.8	89%	0.891	79%	0.789	S	S	*	*			trans	-53.1	110.3	173.8	-83.7	179.7	174.5	173.8	0	107.6	M16	M16-K18 PolarHBondContact O-N 3.37Å
19	K	42.2	Very low	39.2	Very low	133 Å²	133	139.6 Å²	139.6	58%	0.578	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-50.9	133.1	172.1	-75.5	-176.8	176.4	-178.5	0	108	L17 R21	L17-K19 PolarHBondContact O-N 3.23Å; K19-R21 PolarHBondContact O-N 2.86Å
20	P	38.6	Very low	40.9	Very low	112 Å²	112	137.6 Å²	137.6	73%	0.727	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-55.6	132	175.7	21.9	-29.8	0	0	0	108.4	Y22	P20-Y22 PolarHBondContact O-N 3.47Å; P20-Y22 VanDerWaalsContact O-N 3.11Å
21	R	40.4	Very low	42.9	Very low	244 Å²	244	135.4 Å²	135.4	92%	0.921	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-50.6	123.1	173	-77.4	179.5	176.9	173.3	-1.6	107.4	K19 S23	K19-R21 PolarHBondContact O-N 2.86Å; R21-S23 PolarHBondContact O-N 2.98Å
22	Y	44.8	Very low	44.9	Very low	113 Å²	113	138.2 Å²	138.2	44%	0.443	76%	0.758	S	S	.	*			trans	-47.1	101.9	167.7	-76	-87.3	0	0	0	108.7	P20 S24 Y34 E153	P20-Y22 PolarHBondContact O-N 3.47Å; P20-Y22 VanDerWaalsContact O-N 3.11Å; Y22-S24 VanDerWaalsContact C-N 3.35Å; Y22-S24 PolarHBondContact O-N 3.45Å; Y22-Y34 HydrophobicContact CD2-CD2 4.28Å; Y22-Y34 HydrophobicContact CD2-CG 4.21Å; Y22-Y34 HydrophobicContact CE1-CE2 4.46Å; Y22-Y34 AromaticContact CE2-CD1 3.93Å; Y22-Y34 HydrophobicContact CE2-CD1 3.93Å; Y22-Y34 AromaticContact CE2-CD2 3.61Å; Y22-Y34 HydrophobicContact CE2-CD2 3.61Å; Y22-Y34 HydrophobicContact CE2-CE1 4.01Å; Y22-Y34 AromaticContact CE2-CE2 3.69Å; Y22-Y34 HydrophobicContact CE2-CE2 3.69Å; Y22-Y34 AromaticContact CE2-CG 3.72Å; Y22-Y34 HydrophobicContact CE2-CG 3.72Å; Y22-Y34 AromaticContact CE2-CZ 3.88Å; Y22-Y34 AromaticContact CZ-CD2 3.78Å; Y22-Y34 AromaticContact CZ-CE2 3.52Å; Y22-Y34 AromaticContact CZ-CZ 3.9Å; Y22-Y34 WeakPolarHBondContact OH-CE2 3.46Å; Y22-Y34 PolarHBondContact OH-OH 2.87Å; Y22-E153 WeakPolarHBondContact CE1-OE1 3.35Å; Y22-E153 PolarHBondContact OH-OE1 2.81Å; Y22-E153 PolarHBondContact OH-OE2 2.75Å
23	S	43.3	Very low	46.7	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	75%	0.747	S	S	*	*			trans	-66.8	106.1	161.2	56.3	0	0	0	0	104.4	R21 L25	R21-S23 PolarHBondContact O-N 2.98Å; S23-L25 PolarHBondContact O-N 3.4Å
24	S	42.6	Very low	48.8	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	73%	0.731	S	S	*	*			trans	-44.5	102.2	179	54.2	0	0	0	0	110.9	Y22 S26	Y22-S24 VanDerWaalsContact C-N 3.35Å; Y22-S24 PolarHBondContact O-N 3.45Å; S24-S26 PolarHBondContact O-N 2.98Å; S24-S26 VanDerWaalsContact O-N 3.13Å
25	L	47	Very low	50.9	Low	178 Å²	178	134.9 Å²	134.9	93%	0.932	72%	0.722	S	S	*	*	S	Bend	trans	-80.1	22.4	177.3	-82.4	164.3	0	0	0	112.8	S23	S23-L25 PolarHBondContact O-N 3.4Å
26	S	47.6	Very low	53.2	Low	67 Å²	67	136.1 Å²	136.1	47%	0.469	72%	0.718	S	S	.	*			trans	-139.1	109.4	159.9	66	0	0	0	0	110	S24 Q28	S24-S26 PolarHBondContact O-N 2.98Å; S24-S26 VanDerWaalsContact O-N 3.13Å; S26-Q28 PolarHBondContact O-N 3.37Å
27	G	48.8	Very low	55.3	Low	87 Å²	87	133.8 Å²	133.8	90%	0.897	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	29.4	-177.5	0	0	0	0	0	115.4
28	Q	53.4	Low	57.5	Low	182 Å²	182	132.5 Å²	132.5	85%	0.85	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	-22.7	-178.2	-71.1	-172.4	-5.4	0	0	115.1	S26	S26-Q28 PolarHBondContact O-N 3.37Å
29	S	55.5	Low	59.9	Low	71 Å²	71	127 Å²	127	50%	0.497	68%	0.683	S	S	.	*			trans	-98.7	101.3	-176.3	-60	0	0	0	0	110.8	I32	S29-I32 VanDerWaalsContact CB-CD1 3.45Å
30	T	65.8	Low	61.9	Low	127 Å²	127	123 Å²	123	78%	0.779	67%	0.672	S	S	*	*			trans	-84.3	-9.1	-174	57.9	0	0	0	0	114.7
31	N	76.4	Confident	63.9	Low	151 Å²	151	119.9 Å²	119.9	81%	0.807	65%	0.645	S	S	*	*	S	Bend	trans	-122.3	48.8	-168.4	-58.8	-22.2	0	0	0	112.4
32	I	73.8	Confident	65.6	Low	128 Å²	128	113 Å²	113	66%	0.656	62%	0.624	S	S	*	*			trans	-122.9	128.7	178.9	-54.6	177.9	0	0	0	109.6	S29	S29-I32 VanDerWaalsContact CB-CD1 3.45Å
33	T	71.9	Confident	67.2	Low	113 Å²	113	112.9 Å²	112.9	69%	0.693	63%	0.627	S	S	*	*			trans	-114.5	130.3	171.7	46.8	0	0	0	0	109.4
34	Y	73.7	Confident	69.1	Low	113 Å²	113	110.9 Å²	110.9	44%	0.443	61%	0.605	S	S	.	*			trans	-70.6	135.3	171.7	-173.6	-97.7	0	0	0	110	Y22 E36	Y22-Y34 HydrophobicContact CD2-CD2 4.28Å; Y22-Y34 HydrophobicContact CD2-CG 4.21Å; Y22-Y34 HydrophobicContact CE1-CE2 4.46Å; Y22-Y34 AromaticContact CE2-CD1 3.93Å; Y22-Y34 HydrophobicContact CE2-CD1 3.93Å; Y22-Y34 AromaticContact CE2-CD2 3.61Å; Y22-Y34 HydrophobicContact CE2-CD2 3.61Å; Y22-Y34 HydrophobicContact CE2-CE1 4.01Å; Y22-Y34 AromaticContact CE2-CE2 3.69Å; Y22-Y34 HydrophobicContact CE2-CE2 3.69Å; Y22-Y34 AromaticContact CE2-CG 3.72Å; Y22-Y34 HydrophobicContact CE2-CG 3.72Å; Y22-Y34 AromaticContact CE2-CZ 3.88Å; Y22-Y34 AromaticContact CZ-CD2 3.78Å; Y22-Y34 AromaticContact CZ-CE2 3.52Å; Y22-Y34 AromaticContact CZ-CZ 3.9Å; Y22-Y34 WeakPolarHBondContact OH-CE2 3.46Å; Y22-Y34 PolarHBondContact OH-OH 2.87Å; Y34-E36 HydrophobicContact CD1-CG 4.06Å; Y34-E36 HydrophobicContact CE1-CG 3.94Å
35	Q	74.4	Confident	70.7	Confident	145 Å²	145	106.5 Å²	106.5	68%	0.678	58%	0.575	S	S	*	*			trans	-106.3	119.4	176.5	-69.4	-70.3	-13.5	0	0	108.2
36	E	75.4	Confident	71.9	Confident	148 Å²	148	101.3 Å²	101.3	69%	0.692	56%	0.558	S	S	*	*			trans	-75.9	134.7	175.8	-68.8	-169.2	162.5	0	0	110.3	Y34	Y34-E36 HydrophobicContact CD1-CG 4.06Å; Y34-E36 HydrophobicContact CE1-CG 3.94Å
37	H	77.8	Confident	73.2	Confident	130 Å²	130	102.3 Å²	102.3	60%	0.602	57%	0.57	S	S	*	*			trans	-74.8	138.5	173.8	-69.1	-79.8	0	0	0	110.4	I39	H37-I39 VanDerWaalsContact C-N 3.3Å
38	T	80.6	Confident	74.4	Confident	142 Å²	142	101.5 Å²	101.5	87%	0.871	55%	0.547	S	S	*	.	S	Bend	trans	-77.3	-17.1	175.9	54.8	0	0	0	0	113.3
39	I	84.4	Confident	75	Confident	91 Å²	91	93.6 Å²	93.6	47%	0.467	51%	0.514	S	S	.	.	S	Bend	trans	-105	128.6	178.5	-53	-179.8	0	0	0	108.4	H37 E43 R44	H37-I39 VanDerWaalsContact C-N 3.3Å; I39-E43 HydrophobicContact CG2-CB 3.55Å; I39-R44 HydrophobicContact CB-CG 4.44Å; I39-R44 HydrophobicContact CG2-CG 3.77Å
40	S	83.3	Confident	75.2	Confident	47 Å²	47	94.1 Å²	94.1	33%	0.329	51%	0.505	S	S	.	.			trans	-67.6	168.9	176.8	67.8	0	0	0	0	112.3	E43 R44	S40-E43 VanDerWaalsContact CB-OE2 3.26Å; S40-E43 WeakPolarHBondContact CB-OE2 3.41Å; S40-E43 PolarHBondContact N-OE2 3.29Å; S40-E43 WeakPolarHBondContact OG-CB 3.41Å; S40-E43 VanDerWaalsContact OG-CD 3.29Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-N 2.97Å; S40-E43 VanDerWaalsContact OG-N 3.11Å; S40-E43 PolarHBondContact OG-OE2 3.4Å; S40-R44 WeakPolarHBondContact O-CG 3.38Å; S40-R44 PolarHBondContact O-N 3.24Å; S40-R44 PolarHBondContact O-NE 2.94Å
41	R	81.6	Confident	75.2	Confident	47 Å²	47	90.7 Å²	90.7	18%	0.177	48%	0.48	C	S	.	.	H	α-helix	trans	-70.7	-37.7	176.2	-170.5	177	-59.8	147.8	0.8	111	R44 A45 D126 E153 N154 V155	R41-R44 PolarHBondContact O-N 2.99Å; R41-A45 WeakPolarHBondContact O-CB 3.41Å; R41-A45 PolarHBondContact O-N 3.45Å; R41-D126 IonicContact CZ-OD1 2.72Å; R41-D126 IonicContact NE-OD1 3.73Å; R41-D126 PolarHBondContact NE-OD1 3.3Å; R41-D126 IonicContact NH2-OD1 2.75Å; R41-D126 PolarHBondContact NH2-OD1 3.43Å; R41-E153 PolarHBondContact NH1-O 3.46Å; R41-E153 PolarHBondContact NH2-O 3.33Å; R41-N154 PolarHBondContact NH1-O 3.18Å; R41-V155 VanDerWaalsContact NH2-CG2 3.31Å
42	E	76.4	Confident	74.6	Confident	100 Å²	100	92.4 Å²	92.4	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-46.5	175.9	-71.5	73.4	-167.1	0	0	111.5	R44 A45 A46 R55	E42-R44 VanDerWaalsContact C-N 3.35Å; E42-R44 PolarHBondContact O-N 2.92Å; E42-A45 PolarHBondContact O-N 3.13Å; E42-A46 WeakPolarHBondContact O-CB 3.4Å; E42-A46 PolarHBondContact O-N 3.22Å; E42-R55 IonicContact OE1-CZ 2.97Å; E42-R55 IonicContact OE1-NH1 3.09Å; E42-R55 PolarHBondContact OE1-NH1 3.45Å
43	E	77.6	Confident	74.1	Confident	111 Å²	111	88.9 Å²	88.9	52%	0.519	48%	0.479	S	S	.	.	H	α-helix	trans	-63.3	-39.4	175.9	-73.8	165.5	126.5	0	0	112.2	I39 S40 A47	I39-E43 HydrophobicContact CG2-CB 3.55Å; S40-E43 VanDerWaalsContact CB-OE2 3.26Å; S40-E43 WeakPolarHBondContact CB-OE2 3.41Å; S40-E43 PolarHBondContact N-OE2 3.29Å; S40-E43 WeakPolarHBondContact OG-CB 3.41Å; S40-E43 VanDerWaalsContact OG-CD 3.29Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-N 2.97Å; S40-E43 VanDerWaalsContact OG-N 3.11Å; S40-E43 PolarHBondContact OG-OE2 3.4Å; E43-A47 WeakPolarHBondContact O-CB 3.31Å; E43-A47 PolarHBondContact O-N 3.35Å; E43-A47 VanDerWaalsContact O-N 3.09Å
44	R	82.7	Confident	74.4	Confident	53 Å²	53	83.8 Å²	83.8	20%	0.2	45%	0.447	C	S	.	.	H	α-helix	trans	-63.4	-47.4	173.8	-76.2	-178.8	-73.9	163.9	2.1	111.8	I39 S40 R41 E42 A46 A47 V48 D126	I39-R44 HydrophobicContact CB-CG 4.44Å; I39-R44 HydrophobicContact CG2-CG 3.77Å; S40-R44 WeakPolarHBondContact O-CG 3.38Å; S40-R44 PolarHBondContact O-N 3.24Å; S40-R44 PolarHBondContact O-NE 2.94Å; R41-R44 PolarHBondContact O-N 2.99Å; E42-R44 VanDerWaalsContact C-N 3.35Å; E42-R44 PolarHBondContact O-N 2.92Å; R44-A46 VanDerWaalsContact C-N 3.34Å; R44-A46 PolarHBondContact O-N 3.43Å; R44-A47 PolarHBondContact O-N 2.65Å; R44-V48 WeakPolarHBondContact O-CG2 3.32Å; R44-V48 PolarHBondContact O-N 3.4Å; R44-D126 IonicContact CZ-OD2 2.81Å; R44-D126 VanDerWaalsContact CZ-OD2 3.31Å; R44-D126 PolarHBondContact NH1-O 3.2Å; R44-D126 IonicContact NH1-OD2 2.72Å; R44-D126 PolarHBondContact NH1-OD2 2.95Å; R44-D126 VanDerWaalsContact NH2-CG 3.32Å; R44-D126 PolarHBondContact NH2-O 3.24Å; R44-D126 VanDerWaalsContact NH2-O 3.1Å; R44-D126 IonicContact NH2-OD1 3.43Å; R44-D126 PolarHBondContact NH2-OD1 2.97Å; R44-D126 IonicContact NH2-OD2 3.27Å; R44-D126 PolarHBondContact NH2-OD2 2.75Å
45	A	77.2	Confident	74.8	Confident	5 Å²	5	84.3 Å²	84.3	4%	0.041	45%	0.448	C	S	.	.	H	α-helix	trans	-61.1	-42.4	179.2	0	0	0	0	0	111.9	R41 E42 A47 V48 G49	R41-A45 WeakPolarHBondContact O-CB 3.41Å; R41-A45 PolarHBondContact O-N 3.45Å; E42-A45 PolarHBondContact O-N 3.13Å; A45-A47 VanDerWaalsContact C-N 3.3Å; A45-A47 PolarHBondContact O-N 3.3Å; A45-V48 WeakPolarHBondContact O-CG2 3.07Å; A45-V48 PolarHBondContact O-N 3.17Å; A45-G49 PolarHBondContact O-N 2.67Å
46	A	71.5	Confident	75.6	Confident	70 Å²	70	77.6 Å²	77.6	58%	0.579	42%	0.418	S	S	*	.	H	α-helix	trans	-63.8	-33.3	175.6	0	0	0	0	0	112.8	E42 R44	E42-A46 WeakPolarHBondContact O-CB 3.4Å; E42-A46 PolarHBondContact O-N 3.22Å; R44-A46 VanDerWaalsContact C-N 3.34Å; R44-A46 PolarHBondContact O-N 3.43Å
47	A	74.5	Confident	76.5	Confident	87 Å²	87	70.6 Å²	70.6	72%	0.719	39%	0.385	S	S	*	.	H	α-helix	trans	-76.4	-23	178.4	0	0	0	0	0	114	E43 R44 A45	E43-A47 WeakPolarHBondContact O-CB 3.31Å; E43-A47 PolarHBondContact O-N 3.35Å; E43-A47 VanDerWaalsContact O-N 3.09Å; R44-A47 PolarHBondContact O-N 2.65Å; A45-A47 VanDerWaalsContact C-N 3.3Å; A45-A47 PolarHBondContact O-N 3.3Å
48	V	75.1	Confident	77.5	Confident	71 Å²	71	64.4 Å²	64.4	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-103	-29	-177.6	-61.3	0	0	0	0	113.5	R44 A45 P86	R44-V48 WeakPolarHBondContact O-CG2 3.32Å; R44-V48 PolarHBondContact O-N 3.4Å; A45-V48 WeakPolarHBondContact O-CG2 3.07Å; A45-V48 PolarHBondContact O-N 3.17Å; V48-P86 HydrophobicContact CB-CG 4.09Å; V48-P86 HydrophobicContact CG2-CB 4.45Å; V48-P86 HydrophobicContact CG2-CG 4.03Å; V48-P86 WeakPolarHBondContact O-CG 3.37Å
49	G	66.3	Low	78.3	Confident	15 Å²	15	57.6 Å²	57.6	16%	0.155	32%	0.315	C	S	.	.			trans	-97.7	156.1	-171.9	0	0	0	0	0	114.6	A45 H51	A45-G49 PolarHBondContact O-N 2.67Å; G49-H51 VanDerWaalsContact C-N 3.34Å
50	R	59.7	Low	79	Confident	82 Å²	82	53.3 Å²	53.3	31%	0.309	29%	0.293	S	S	.	.	S	Bend	trans	-76.3	-19	179.5	-65.3	-153.7	175.8	165.7	-14.5	115	G84 M327 D328	R50-G84 VanDerWaalsContact CB-O 3.31Å; R50-G84 WeakPolarHBondContact CB-O 3.26Å; R50-G84 WeakPolarHBondContact CG-O 3.26Å; R50-G84 PolarHBondContact N-O 2.97Å; R50-G84 VanDerWaalsContact N-O 3.09Å; R50-M327 HydrophobicContact CB-CE 3.43Å; R50-M327 VanDerWaalsContact CB-CE 3.43Å; R50-M327 HydrophobicContact CB-CG 4.48Å; R50-M327 HydrophobicContact CB-SD 3.69Å; R50-M327 VanDerWaalsContact CD-CG 3.44Å; R50-M327 WeakPolarHBondContact CD-SD 3.2Å; R50-M327 HydrophobicContact CG-CE 3.7Å; R50-M327 HydrophobicContact CG-CG 4.01Å; R50-M327 HydrophobicContact CG-SD 3.17Å; R50-M327 WeakPolarHBondContact CG-SD 3.14Å; R50-M327 WeakPolarHBondContact O-CE 3.37Å; R50-D328 IonicContact CZ-OD2 3.08Å; R50-D328 IonicContact NH1-OD2 3.79Å; R50-D328 IonicContact NH2-OD1 2.66Å; R50-D328 IonicContact NH2-OD2 3.72Å; R50-D328 PolarHBondContact NH2-OD2 2.77Å
51	H	65.3	Low	79.7	Confident	55 Å²	55	51 Å²	51	26%	0.255	28%	0.277	S	S	.	.	S	Bend	trans	-127.4	133.8	-167.8	-57.1	-77.2	0	0	0	111.2	G49 F54 L83 P231	G49-H51 VanDerWaalsContact C-N 3.34Å; H51-F54 PolarHBondContact O-N 2.81Å; H51-L83 PolarHBondContact CD2-O 2.79Å; H51-L83 PolarHBondContact NE2-O 3.11Å; H51-P231 HydrophobicContact CB-CG 3.39Å
52	E	63	Low	80.4	Confident	188 Å²	188	48.8 Å²	48.8	88%	0.879	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	141.9	167.9	-67.2	-168.2	163.7	0	0	110.3	F54	E52-F54 VanDerWaalsContact C-N 3.33Å; E52-F54 PolarHBondContact O-N 2.64Å
53	G	64.3	Low	81.3	Confident	53 Å²	53	44 Å²	44	55%	0.546	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-8.7	179.8	0	0	0	0	0	115.6
54	F	77.2	Confident	82.1	Confident	7 Å²	7	39.7 Å²	39.7	3%	0.031	23%	0.227	C	C	.	.			trans	-63	137.1	169.4	167.1	-115	0	0	0	111.2	H51 E52 I85 G128 I130 L229 L230	H51-F54 PolarHBondContact O-N 2.81Å; E52-F54 VanDerWaalsContact C-N 3.33Å; E52-F54 PolarHBondContact O-N 2.64Å; F54-I85 HydrophobicContact CD2-CG2 3.7Å; F54-I85 HydrophobicContact CE1-CG2 4.17Å; F54-I85 HydrophobicContact CE2-CG2 3.41Å; F54-I85 VanDerWaalsContact CE2-CG2 3.41Å; F54-I85 HydrophobicContact CG-CG2 4.3Å; F54-I85 HydrophobicContact CZ-CG2 3.66Å; F54-G128 WeakPolarHBondContact CE1-O 3.43Å; F54-I130 HydrophobicContact CE2-CD1 3.63Å; F54-I130 HydrophobicContact CE2-CG1 3.34Å; F54-I130 HydrophobicContact CZ-CD1 4.28Å; F54-I130 HydrophobicContact CZ-CG1 3.53Å; F54-L229 VanDerWaalsContact CD2-O 3.29Å; F54-L229 WeakPolarHBondContact CD2-O 3.4Å; F54-L230 HydrophobicContact CD2-CD2 3.9Å; F54-L230 HydrophobicContact CE2-CD2 4.27Å
55	R	82.3	Confident	82.6	Confident	124 Å²	124	38 Å²	38	47%	0.468	22%	0.223	S	C	.	.			trans	-129.4	131	179.6	-63.6	-178	-179.2	-114.6	0.5	111.7	E42 C57 L229	E42-R55 IonicContact OE1-CZ 2.97Å; E42-R55 IonicContact OE1-NH1 3.09Å; E42-R55 PolarHBondContact OE1-NH1 3.45Å; R55-C57 PolarHBondContact O-N 2.92Å; R55-L229 HydrophobicContact CB-CD2 3.94Å; R55-L229 PolarHBondContact N-O 3.3Å; R55-L229 VanDerWaalsContact N-O 3.09Å
56	G	90.6	Very high	83.2	Confident	4 Å²	4	38.7 Å²	38.7	4%	0.041	23%	0.231	C	C	.	.			trans	-57.8	134.7	171.4	0	0	0	0	0	112.1	A125 M129	G56-A125 WeakPolarHBondContact CA-O 3.42Å; G56-M129 WeakPolarHBondContact CA-O 3.5Å
57	C	95.6	Very high	84.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	167.4	-179	64.2	0	0	0	0	110.6	R55 M129 I130 C131 K156 L229	R55-C57 PolarHBondContact O-N 2.92Å; C57-M129 PolarHBondContact N-O 2.82Å; C57-I130 CarbonylContact O-C 3.59Å; C57-I130 WeakPolarHBondContact O-CA 3.43Å; C57-C131 PolarHBondContact O-N 3.09Å; C57-K156 HydrophobicContact CB-CB 3.91Å; C57-L229 HydrophobicContact CB-CD1 4.19Å; C57-L229 HydrophobicContact CB-CD2 4.1Å
58	T	98.1	Very high	85.2	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.5	173.9	-67.5	0	0	0	0	110.2	W60 A121 C131 H150 K156 F157 I158	T58-W60 HydrophobicContact CG2-CE3 4.23Å; T58-A121 HydrophobicContact CG2-CB 3.8Å; T58-A121 PolarHBondContact OG1-O 2.97Å; T58-C131 WeakPolarHBondContact CA-O 3.38Å; T58-H150 VanDerWaalsContact CB-NE2 3.29Å; T58-H150 WeakPolarHBondContact CB-NE2 3.4Å; T58-H150 PolarHBondContact OG1-CD2 2.93Å; T58-H150 VanDerWaalsContact OG1-CD2 3.31Å; T58-H150 PolarHBondContact OG1-NE2 3.26Å; T58-K156 PolarHBondContact N-O 3.08Å; T58-F157 HydrophobicContact CG2-CD2 4.07Å; T58-F157 HydrophobicContact CG2-CE2 4.23Å; T58-I158 PolarHBondContact O-N 3.14Å
59	I	98.3	Very high	86.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109.8	171.7	-51.9	-177.9	0	0	0	107.4	F61 L76 I130 C131 L132 A133 V160 V220 L224	I59-F61 HydrophobicContact CB-CE2 4.26Å; I59-F61 HydrophobicContact CG2-CD2 4.28Å; I59-F61 HydrophobicContact CG2-CE1 4.34Å; I59-F61 HydrophobicContact CG2-CE2 3.63Å; I59-F61 HydrophobicContact CG2-CZ 3.66Å; I59-L76 HydrophobicContact CD1-CD2 3.92Å; I59-I130 HydrophobicContact CD1-CG2 3.65Å; I59-I130 HydrophobicContact CG1-CG2 3.89Å; I59-C131 PolarHBondContact N-O 2.89Å; I59-L132 HydrophobicContact CB-CD2 3.94Å; I59-L132 HydrophobicContact CD1-CD2 3.69Å; I59-L132 HydrophobicContact CG1-CD2 4.1Å; I59-A133 PolarHBondContact O-N 3.28Å; I59-V160 HydrophobicContact CG2-CG2 3.5Å; I59-V160 VanDerWaalsContact CG2-CG2 3.5Å; I59-V220 HydrophobicContact CD1-CG1 3.98Å; I59-V220 HydrophobicContact CG2-CG1 4.38Å; I59-L224 HydrophobicContact CD1-CD1 3.69Å; I59-L224 HydrophobicContact CD1-CD2 3.9Å; I59-L224 HydrophobicContact CD1-CG 4.29Å; I59-L224 HydrophobicContact CG1-CD2 4.33Å
60	W	98.3	Very high	87.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	100.4	-173.1	-169	-80.8	0	0	0	110.8	T58 I114 V117 A118 A133 S137 A146 F157 I158 V160	T58-W60 HydrophobicContact CG2-CE3 4.23Å; W60-I114 HydrophobicContact CH2-CG2 3.97Å; W60-I114 HydrophobicContact CZ2-CD1 4.25Å; W60-I114 HydrophobicContact CZ2-CG2 3.74Å; W60-V117 HydrophobicContact CH2-CB 4.14Å; W60-V117 HydrophobicContact CH2-CG1 3.61Å; W60-V117 HydrophobicContact CZ3-CG1 3.72Å; W60-A118 HydrophobicContact CH2-CB 4.36Å; W60-A118 HydrophobicContact CZ3-CB 4.23Å; W60-A133 HydrophobicContact CD2-CB 4.14Å; W60-A133 HydrophobicContact CE3-CB 3.59Å; W60-A133 HydrophobicContact CZ3-CB 3.95Å; W60-S137 PolarHBondContact NE1-OG 3.28Å; W60-S137 VanDerWaalsContact NE1-OG 3.11Å; W60-A146 HydrophobicContact CH2-CB 4.29Å; W60-A146 HydrophobicContact CZ2-CB 4.49Å; W60-A146 HydrophobicContact CZ3-CB 4.38Å; W60-F157 HydrophobicContact CB-CE1 4.15Å; W60-F157 HydrophobicContact CB-CE2 3.72Å; W60-F157 HydrophobicContact CB-CZ 3.45Å; W60-F157 VanDerWaalsContact CB-CZ 3.45Å; W60-F157 AromaticContact CD2-CE2 3.95Å; W60-F157 HydrophobicContact CD2-CE2 3.95Å; W60-F157 AromaticContact CD2-CZ 3.9Å; W60-F157 HydrophobicContact CD2-CZ 3.9Å; W60-F157 AromaticContact CE3-CE2 3.77Å; W60-F157 HydrophobicContact CE3-CE2 3.77Å; W60-F157 HydrophobicContact CE3-CZ 4.21Å; W60-F157 AromaticContact CG-CE2 3.95Å; W60-F157 HydrophobicContact CG-CE2 3.95Å; W60-F157 AromaticContact CG-CZ 3.57Å; W60-F157 HydrophobicContact CG-CZ 3.57Å; W60-I158 PolarHBondContact N-O 2.89Å; W60-V160 PolarHBondContact O-N 2.89Å
61	F	98.1	Very high	88.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.1	176.3	-58.8	-91.3	0	0	0	110.7	I59 K69 I72 L76 L132 A133 F135 V160 V162 L206	I59-F61 HydrophobicContact CB-CE2 4.26Å; I59-F61 HydrophobicContact CG2-CD2 4.28Å; I59-F61 HydrophobicContact CG2-CE1 4.34Å; I59-F61 HydrophobicContact CG2-CE2 3.63Å; I59-F61 HydrophobicContact CG2-CZ 3.66Å; F61-K69 HydrophobicContact CB-CB 4.12Å; F61-K69 HydrophobicContact CB-CD 4.38Å; F61-K69 HydrophobicContact CB-CG 4.14Å; F61-I72 HydrophobicContact CE1-CG2 3.85Å; F61-I72 HydrophobicContact CZ-CG2 4.43Å; F61-L76 HydrophobicContact CZ-CD2 3.95Å; F61-L132 HydrophobicContact CE2-CB 4.38Å; F61-L132 HydrophobicContact CE2-CD2 4.39Å; F61-A133 PolarHBondContact N-O 3.11Å; F61-F135 PolarHBondContact O-N 3.25Å; F61-V160 WeakPolarHBondContact CA-O 3.24Å; F61-V160 HydrophobicContact CD1-CB 3.76Å; F61-V160 HydrophobicContact CD1-CG1 3.65Å; F61-V160 HydrophobicContact CD1-CG2 4.37Å; F61-V160 HydrophobicContact CE1-CB 4.1Å; F61-V160 HydrophobicContact CE1-CG1 3.81Å; F61-V160 HydrophobicContact CE1-CG2 4.29Å; F61-V160 HydrophobicContact CG-CB 4.36Å; F61-V162 HydrophobicContact CB-CG2 4.48Å; F61-V162 HydrophobicContact CD1-CG2 4.1Å; F61-L206 HydrophobicContact CE1-CD1 4.46Å
62	T	97	Very high	90.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153	173.5	-175.7	0	0	0	0	111.4	I136 S137 E159 V160 V162 Y196 P199	T62-I136 PolarHBondContact OG1-O 3.11Å; T62-S137 VanDerWaalsContact CB-OG 3.25Å; T62-S137 WeakPolarHBondContact CB-OG 3.41Å; T62-S137 PolarHBondContact OG1-O 2.66Å; T62-S137 PolarHBondContact OG1-OG 3.09Å; T62-S137 VanDerWaalsContact OG1-OG 3.07Å; T62-E159 HydrophobicContact CG2-CG 4.29Å; T62-V160 PolarHBondContact N-O 3.26Å; T62-V162 PolarHBondContact O-N 3.38Å; T62-Y196 PolarHBondContact OG1-OH 3.4Å; T62-P199 HydrophobicContact CG2-CG 4.04Å
63	G	95.4	Very high	91.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.121	C	C	.	.			trans	154.5	169.9	-177.9	0	0	0	0	0	112.8	K69 Y196	G63-K69 PolarHBondContact O-NZ 3.3Å; G63-Y196 VanDerWaalsContact CA-OH 3.31Å; G63-Y196 WeakPolarHBondContact CA-OH 3.42Å; G63-Y196 PolarHBondContact N-OH 2.97Å; G63-Y196 VanDerWaalsContact N-OH 3.14Å
64	L	94.6	Very high	93.2	Very high	20 Å²	20	21 Å²	21	11%	0.105	11%	0.114	C	C	.	.			trans	-58.4	158	177.7	-66.2	177	0	0	0	113.1	G66 A67 K69 L166 T190 Y196	L64-G66 PolarHBondContact O-N 3.5Å; L64-A67 HydrophobicContact CB-CB 4.44Å; L64-A67 WeakPolarHBondContact O-CB 3.31Å; L64-A67 PolarHBondContact O-N 3.01Å; L64-A67 VanDerWaalsContact O-N 3.15Å; L64-K69 PolarHBondContact O-NZ 3.1Å; L64-L166 HydrophobicContact CD1-CB 4.02Å; L64-L166 HydrophobicContact CD1-CD1 4.19Å; L64-T190 HydrophobicContact CD2-CG2 4.17Å; L64-Y196 HydrophobicContact CD2-CD1 4.25Å; L64-Y196 HydrophobicContact CD2-CD2 4.33Å; L64-Y196 HydrophobicContact CD2-CG 3.81Å; L64-Y196 HydrophobicContact CG-CD1 4.5Å; L64-Y196 HydrophobicContact CG-CG 4.47Å
65	S	91.9	Very high	93.6	Very high	17 Å²	17	21.6 Å²	21.6	12%	0.119	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	139.4	169.6	-173.7	0	0	0	0	109.5	A67 C169 Y178	S65-A67 PolarHBondContact O-N 2.77Å; S65-C169 VanDerWaalsContact O-CB 3.29Å; S65-C169 WeakPolarHBondContact O-CB 3.16Å; S65-Y178 VanDerWaalsContact O-CE2 3.29Å; S65-Y178 WeakPolarHBondContact O-CE2 3.46Å; S65-Y178 PolarHBondContact O-OH 2.99Å
66	G	90.4	Very high	94	Very high	20 Å²	20	15.7 Å²	15.7	21%	0.206	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-0.5	-176.9	0	0	0	0	0	116.1	L64 G68	L64-G66 PolarHBondContact O-N 3.5Å; G66-G68 VanDerWaalsContact C-N 3.26Å; G66-G68 PolarHBondContact O-N 3.24Å
67	A	94	Very high	94.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-64.6	-26.3	179.9	0	0	0	0	0	114.3	L64 S65 V162 T164 R172 A208	L64-A67 HydrophobicContact CB-CB 4.44Å; L64-A67 WeakPolarHBondContact O-CB 3.31Å; L64-A67 PolarHBondContact O-N 3.01Å; L64-A67 VanDerWaalsContact O-N 3.15Å; S65-A67 PolarHBondContact O-N 2.77Å; A67-V162 HydrophobicContact CB-CB 4.4Å; A67-V162 HydrophobicContact CB-CG1 4Å; A67-V162 WeakPolarHBondContact O-CG1 3.44Å; A67-T164 PolarHBondContact O-OG1 2.78Å; A67-R172 PolarHBondContact O-NH1 3.42Å; A67-A208 WeakPolarHBondContact O-CB 3.06Å
68	G	93.1	Very high	93.4	Very high	15 Å²	15	25.9 Å²	25.9	16%	0.155	14%	0.136	C	C	.	.	S	Bend	trans	122.5	0.9	178.5	0	0	0	0	0	116	G66 T70 T71 I72	G66-G68 VanDerWaalsContact C-N 3.26Å; G66-G68 PolarHBondContact O-N 3.24Å; G68-T70 PolarHBondContact O-N 3.44Å; G68-T71 WeakPolarHBondContact O-CB 2.99Å; G68-T71 PolarHBondContact O-N 3.46Å; G68-I72 WeakPolarHBondContact O-CG1 3.2Å; G68-I72 PolarHBondContact O-N 2.91Å
69	K	95.5	Very high	92.4	Very high	14 Å²	14	26.8 Å²	26.8	6%	0.061	14%	0.142	C	C	.	.	H	α-helix	trans	-47.8	-59.9	-176.7	-60.7	-178.9	-65.4	-71	0	114.2	F61 G63 L64 T71 I72 S73 A134 F135 V162	F61-K69 HydrophobicContact CB-CB 4.12Å; F61-K69 HydrophobicContact CB-CD 4.38Å; F61-K69 HydrophobicContact CB-CG 4.14Å; G63-K69 PolarHBondContact O-NZ 3.3Å; L64-K69 PolarHBondContact O-NZ 3.1Å; K69-T71 VanDerWaalsContact C-N 3.3Å; K69-T71 PolarHBondContact O-N 3.2Å; K69-I72 PolarHBondContact O-N 2.88Å; K69-S73 VanDerWaalsContact O-CB 3.27Å; K69-S73 WeakPolarHBondContact O-CB 3.35Å; K69-S73 PolarHBondContact O-N 3.28Å; K69-A134 HydrophobicContact CB-CB 4.26Å; K69-F135 VanDerWaalsContact CD-O 3.25Å; K69-F135 WeakPolarHBondContact CD-O 3.2Å; K69-F135 WeakPolarHBondContact CE-O 3.18Å; K69-V162 HydrophobicContact CG-CB 4.07Å; K69-V162 HydrophobicContact CG-CG2 3.8Å
70	T	92.1	Very high	91.8	Very high	45 Å²	45	26.8 Å²	26.8	28%	0.276	14%	0.142	S	C	.	.	H	α-helix	trans	-60.6	-39.7	-178.1	-52	0	0	0	0	111.5	G68 F74 D91	G68-T70 PolarHBondContact O-N 3.44Å; T70-F74 HydrophobicContact CG2-CD2 3.68Å; T70-F74 HydrophobicContact CG2-CE2 3.25Å; T70-F74 HydrophobicContact CG2-CZ 3.81Å; T70-F74 WeakPolarHBondContact O-CD2 3.37Å; T70-F74 WeakPolarHBondContact O-CG 3.42Å; T70-F74 PolarHBondContact O-N 3.35Å; T70-D91 VanDerWaalsContact CG2-OD1 3.3Å; T70-D91 WeakPolarHBondContact CG2-OD1 3.38Å; T70-D91 PolarHBondContact OG1-OD1 3.4Å
71	T	92.2	Very high	90.9	Very high	85 Å²	85	30.9 Å²	30.9	52%	0.521	16%	0.163	S	C	.	.	H	α-helix	trans	-63.2	-46.6	177.6	-53.3	0	0	0	0	112.1	G68 K69 A75 V213	G68-T71 WeakPolarHBondContact O-CB 2.99Å; G68-T71 PolarHBondContact O-N 3.46Å; K69-T71 VanDerWaalsContact C-N 3.3Å; K69-T71 PolarHBondContact O-N 3.2Å; T71-A75 WeakPolarHBondContact O-CB 3.31Å; T71-A75 PolarHBondContact O-N 3.28Å; T71-A75 VanDerWaalsContact O-N 3.08Å; T71-V213 HydrophobicContact CG2-CG1 4.37Å; T71-V213 HydrophobicContact CG2-CG2 3.82Å
72	I	95.6	Very high	89.4	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-69.5	-43	179.4	-64.1	164.1	0	0	0	110.3	F61 G68 K69 F74 A75 L76 V162 L206 A208 C216	F61-I72 HydrophobicContact CE1-CG2 3.85Å; F61-I72 HydrophobicContact CZ-CG2 4.43Å; G68-I72 WeakPolarHBondContact O-CG1 3.2Å; G68-I72 PolarHBondContact O-N 2.91Å; K69-I72 PolarHBondContact O-N 2.88Å; I72-F74 PolarHBondContact O-N 2.83Å; I72-A75 PolarHBondContact O-N 2.97Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 PolarHBondContact O-N 3.24Å; I72-V162 HydrophobicContact CD1-CG1 4.05Å; I72-V162 HydrophobicContact CD1-CG2 4.41Å; I72-L206 HydrophobicContact CD1-CD1 4.13Å; I72-L206 HydrophobicContact CG2-CD1 4.08Å; I72-A208 HydrophobicContact CD1-CB 4.03Å; I72-C216 HydrophobicContact CD1-CB 3.92Å; I72-C216 HydrophobicContact CG1-CB 4.04Å; I72-C216 HydrophobicContact CG2-CB 4.14Å
73	S	95.7	Very high	88.2	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-48.3	177.9	-175.3	0	0	0	0	111.9	K69 L76 E77 L132	K69-S73 VanDerWaalsContact O-CB 3.27Å; K69-S73 WeakPolarHBondContact O-CB 3.35Å; K69-S73 PolarHBondContact O-N 3.28Å; S73-L76 PolarHBondContact O-N 2.81Å; S73-E77 WeakPolarHBondContact O-CB 3.48Å; S73-E77 PolarHBondContact O-N 2.91Å; S73-L132 WeakPolarHBondContact O-CD1 3.44Å; S73-L132 WeakPolarHBondContact OG-CB 3.46Å
74	F	90.9	Very high	87.1	Confident	87 Å²	87	38.8 Å²	38.8	38%	0.382	20%	0.201	S	C	.	.	H	α-helix	trans	-73.4	-29.8	179.1	-66	-27.4	0	0	0	113.3	T70 I72 E77 R78 D91	T70-F74 HydrophobicContact CG2-CD2 3.68Å; T70-F74 HydrophobicContact CG2-CE2 3.25Å; T70-F74 HydrophobicContact CG2-CZ 3.81Å; T70-F74 WeakPolarHBondContact O-CD2 3.37Å; T70-F74 WeakPolarHBondContact O-CG 3.42Å; T70-F74 PolarHBondContact O-N 3.35Å; I72-F74 PolarHBondContact O-N 2.83Å; F74-E77 WeakPolarHBondContact CD1-OE2 3.37Å; F74-R78 WeakPolarHBondContact O-CB 3.17Å; F74-R78 PolarHBondContact O-N 2.95Å; F74-D91 HydrophobicContact CZ-CB 4.36Å
75	A	85.1	Confident	86.6	Confident	18 Å²	18	38 Å²	38	15%	0.149	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-44.2	171.4	0	0	0	0	0	111.1	T71 I72 R78 T79 V213 V217	T71-A75 WeakPolarHBondContact O-CB 3.31Å; T71-A75 PolarHBondContact O-N 3.28Å; T71-A75 VanDerWaalsContact O-N 3.08Å; I72-A75 PolarHBondContact O-N 2.97Å; A75-R78 PolarHBondContact O-N 3.39Å; A75-T79 PolarHBondContact O-N 2.91Å; A75-T79 PolarHBondContact O-OG1 2.92Å; A75-V213 HydrophobicContact CB-CG1 3.49Å; A75-V213 VanDerWaalsContact CB-CG1 3.49Å; A75-V217 HydrophobicContact CB-CG2 3.67Å
76	L	92.5	Very high	86.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-43.6	174.7	179.7	62.1	0	0	0	111.6	I59 F61 I72 S73 R78 T79 L80 L132 V217 V220 L221	I59-L76 HydrophobicContact CD1-CD2 3.92Å; F61-L76 HydrophobicContact CZ-CD2 3.95Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 PolarHBondContact O-N 3.24Å; S73-L76 PolarHBondContact O-N 2.81Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 PolarHBondContact O-N 2.85Å; L76-T79 PolarHBondContact O-N 2.82Å; L76-T79 VanDerWaalsContact O-N 3.11Å; L76-L80 HydrophobicContact CD1-CD1 4.06Å; L76-L80 HydrophobicContact CD1-CG 3.97Å; L76-L80 HydrophobicContact CD2-CD1 4.46Å; L76-L80 HydrophobicContact CG-CD1 3.83Å; L76-L80 HydrophobicContact CG-CG 4.21Å; L76-L80 WeakPolarHBondContact O-CB 3.45Å; L76-L80 WeakPolarHBondContact O-CG 3.29Å; L76-L80 PolarHBondContact O-N 3.44Å; L76-L132 HydrophobicContact CD2-CD2 3.81Å; L76-L132 HydrophobicContact CG-CD2 4.38Å; L76-V217 HydrophobicContact CB-CG1 4.48Å; L76-V217 HydrophobicContact CB-CG2 4.29Å; L76-V217 HydrophobicContact CD1-CG1 3.99Å; L76-V220 HydrophobicContact CD1-CG1 4.41Å; L76-V220 HydrophobicContact CD2-CB 4.19Å; L76-V220 HydrophobicContact CD2-CG1 3.55Å; L76-L221 HydrophobicContact CD1-CD2 3.69Å; L76-L221 HydrophobicContact CD1-CG 4Å
77	E	92.7	Very high	86.6	Confident	44 Å²	44	37.9 Å²	37.9	21%	0.206	19%	0.192	C	C	.	.	H	α-helix	trans	-55.1	-44.7	174.1	-172.4	174.7	-135.6	0	0	111.4	S73 F74 N81 G89 L132	S73-E77 WeakPolarHBondContact O-CB 3.48Å; S73-E77 PolarHBondContact O-N 2.91Å; F74-E77 WeakPolarHBondContact CD1-OE2 3.37Å; E77-N81 VanDerWaalsContact O-CB 3.32Å; E77-N81 WeakPolarHBondContact O-CB 3.5Å; E77-N81 PolarHBondContact O-N 2.94Å; E77-N81 PolarHBondContact O-ND2 3.09Å; E77-G89 PolarHBondContact OE1-N 2.84Å; E77-L132 HydrophobicContact CB-CD1 3.6Å; E77-L132 HydrophobicContact CG-CD1 4.23Å
78	R	79.3	Confident	86.6	Confident	175 Å²	175	43.6 Å²	43.6	66%	0.66	22%	0.215	S	C	*	.	H	α-helix	trans	-64.1	-41.6	176.8	-172.8	177.8	-175.9	-174.1	-0.6	111.7	F74 A75 L76 K82	F74-R78 WeakPolarHBondContact O-CB 3.17Å; F74-R78 PolarHBondContact O-N 2.95Å; A75-R78 PolarHBondContact O-N 3.39Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 PolarHBondContact O-N 2.85Å; R78-K82 VanDerWaalsContact O-CG 3.31Å; R78-K82 WeakPolarHBondContact O-CG 3.42Å; R78-K82 PolarHBondContact O-N 3.37Å; R78-K82 VanDerWaalsContact O-N 3.07Å
79	T	78.4	Confident	86.6	Confident	19 Å²	19	43.3 Å²	43.3	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-51.6	178.8	-59	0	0	0	0	111	A75 L76 N81 K82 L83 V217 L221	A75-T79 PolarHBondContact O-N 2.91Å; A75-T79 PolarHBondContact O-OG1 2.92Å; L76-T79 PolarHBondContact O-N 2.82Å; L76-T79 VanDerWaalsContact O-N 3.11Å; T79-N81 VanDerWaalsContact C-N 3.31Å; T79-N81 PolarHBondContact O-N 2.88Å; T79-K82 WeakPolarHBondContact O-CB 3.28Å; T79-K82 PolarHBondContact O-N 2.72Å; T79-K82 VanDerWaalsContact O-N 3.08Å; T79-L83 HydrophobicContact CG2-CD1 3.99Å; T79-L83 HydrophobicContact CG2-CG 4.3Å; T79-L83 WeakPolarHBondContact O-CB 3.38Å; T79-L83 VanDerWaalsContact O-CG 3.28Å; T79-L83 WeakPolarHBondContact O-CG 3.2Å; T79-L83 PolarHBondContact O-N 2.78Å; T79-V217 HydrophobicContact CG2-CG1 4.47Å; T79-L221 HydrophobicContact CG2-CD1 3.75Å
80	L	84.3	Confident	86.6	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.8	-43.7	176.7	-69.7	171.6	0	0	0	112	L76 K82 L83 G84 I85 C87 I130 L132 L221 L230	L76-L80 HydrophobicContact CD1-CD1 4.06Å; L76-L80 HydrophobicContact CD1-CG 3.97Å; L76-L80 HydrophobicContact CD2-CD1 4.46Å; L76-L80 HydrophobicContact CG-CD1 3.83Å; L76-L80 HydrophobicContact CG-CG 4.21Å; L76-L80 WeakPolarHBondContact O-CB 3.45Å; L76-L80 WeakPolarHBondContact O-CG 3.29Å; L76-L80 PolarHBondContact O-N 3.44Å; L80-K82 PolarHBondContact O-N 2.83Å; L80-L83 CarbonylContact O-C 3.32Å; L80-L83 WeakPolarHBondContact O-CA 3.38Å; L80-L83 WeakPolarHBondContact O-CB 3.33Å; L80-L83 PolarHBondContact O-N 3.2Å; L80-L83 VanDerWaalsContact O-N 3.17Å; L80-G84 PolarHBondContact O-N 2.99Å; L80-I85 CarbonylContact C-O 3.14Å; L80-I85 HydrophobicContact CB-CB 4.18Å; L80-I85 HydrophobicContact CB-CG2 4.45Å; L80-I85 HydrophobicContact CD2-CB 4.11Å; L80-I85 HydrophobicContact CD2-CD1 3.93Å; L80-I85 HydrophobicContact CD2-CG2 4.01Å; L80-I85 PolarHBondContact O-N 2.9Å; L80-C87 HydrophobicContact CB-CB 4.29Å; L80-C87 HydrophobicContact CD1-CB 3.99Å; L80-I130 HydrophobicContact CD1-CB 4.33Å; L80-I130 HydrophobicContact CD1-CD1 3.85Å; L80-I130 HydrophobicContact CD1-CG2 4.17Å; L80-I130 HydrophobicContact CD2-CD1 3.96Å; L80-L132 HydrophobicContact CD1-CD2 4.35Å; L80-L221 HydrophobicContact CD2-CD2 3.8Å; L80-L221 HydrophobicContact CG-CD2 4.47Å; L80-L230 HydrophobicContact CD2-CD1 4.19Å; L80-L230 HydrophobicContact CD2-CD2 4.3Å
81	N	79.4	Confident	86.4	Confident	85 Å²	85	41.3 Å²	41.3	46%	0.455	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-42.9	175.5	-83.6	-57.6	0	0	0	113	E77 T79 L83 G84 C87	E77-N81 VanDerWaalsContact O-CB 3.32Å; E77-N81 WeakPolarHBondContact O-CB 3.5Å; E77-N81 PolarHBondContact O-N 2.94Å; E77-N81 PolarHBondContact O-ND2 3.09Å; T79-N81 VanDerWaalsContact C-N 3.31Å; T79-N81 PolarHBondContact O-N 2.88Å; N81-L83 PolarHBondContact O-N 3.26Å; N81-G84 PolarHBondContact O-N 2.6Å; N81-C87 PolarHBondContact ND2-SG 2.86Å; N81-C87 VanDerWaalsContact ND2-SG 3.43Å
82	K	68.4	Low	85.7	Confident	143 Å²	143	38 Å²	38	62%	0.622	18%	0.182	S	C	*	.	H	α-helix	trans	-59.8	-37.8	174.2	-76.9	175.6	174.3	-170.6	0	111.9	R78 T79 L80 G84	R78-K82 VanDerWaalsContact O-CG 3.31Å; R78-K82 WeakPolarHBondContact O-CG 3.42Å; R78-K82 PolarHBondContact O-N 3.37Å; R78-K82 VanDerWaalsContact O-N 3.07Å; T79-K82 WeakPolarHBondContact O-CB 3.28Å; T79-K82 PolarHBondContact O-N 2.72Å; T79-K82 VanDerWaalsContact O-N 3.08Å; L80-K82 PolarHBondContact O-N 2.83Å; K82-G84 PolarHBondContact O-N 2.98Å
83	L	70.4	Confident	84.8	Confident	16 Å²	16	41.4 Å²	41.4	8%	0.084	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.9	177.6	-68.9	-175.2	0	0	0	113.3	H51 T79 L80 N81 I85 I234	H51-L83 PolarHBondContact CD2-O 2.79Å; H51-L83 PolarHBondContact NE2-O 3.11Å; T79-L83 HydrophobicContact CG2-CD1 3.99Å; T79-L83 HydrophobicContact CG2-CG 4.3Å; T79-L83 WeakPolarHBondContact O-CB 3.38Å; T79-L83 VanDerWaalsContact O-CG 3.28Å; T79-L83 WeakPolarHBondContact O-CG 3.2Å; T79-L83 PolarHBondContact O-N 2.78Å; L80-L83 CarbonylContact O-C 3.32Å; L80-L83 WeakPolarHBondContact O-CA 3.38Å; L80-L83 WeakPolarHBondContact O-CB 3.33Å; L80-L83 PolarHBondContact O-N 3.2Å; L80-L83 VanDerWaalsContact O-N 3.17Å; N81-L83 PolarHBondContact O-N 3.26Å; L83-I85 HydrophobicContact CB-CD1 3.84Å; L83-I85 HydrophobicContact CD1-CD1 4.39Å; L83-I234 HydrophobicContact CB-CG2 3.69Å; L83-I234 HydrophobicContact CD1-CB 4.25Å; L83-I234 HydrophobicContact CD1-CD1 4.27Å; L83-I234 HydrophobicContact CD1-CG2 3.68Å; L83-I234 HydrophobicContact CD2-CG2 3.69Å; L83-I234 HydrophobicContact CG-CG2 3.83Å
84	G	72.1	Confident	84	Confident	8 Å²	8	46.1 Å²	46.1	8%	0.082	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	20.2	-178.5	0	0	0	0	0	115.5	R50 L80 N81 K82 P86	R50-G84 VanDerWaalsContact CB-O 3.31Å; R50-G84 WeakPolarHBondContact CB-O 3.26Å; R50-G84 WeakPolarHBondContact CG-O 3.26Å; R50-G84 PolarHBondContact N-O 2.97Å; R50-G84 VanDerWaalsContact N-O 3.09Å; L80-G84 PolarHBondContact O-N 2.99Å; N81-G84 PolarHBondContact O-N 2.6Å; K82-G84 PolarHBondContact O-N 2.98Å; G84-P86 WeakPolarHBondContact O-CD 3.32Å
85	I	84.3	Confident	83.9	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.214	C	C	.	.			trans	-102	112.6	-178.9	-66.4	148.1	0	0	0	107.8	F54 L80 L83 C87 I130 L230 I234	F54-I85 HydrophobicContact CD2-CG2 3.7Å; F54-I85 HydrophobicContact CE1-CG2 4.17Å; F54-I85 HydrophobicContact CE2-CG2 3.41Å; F54-I85 VanDerWaalsContact CE2-CG2 3.41Å; F54-I85 HydrophobicContact CG-CG2 4.3Å; F54-I85 HydrophobicContact CZ-CG2 3.66Å; L80-I85 CarbonylContact C-O 3.14Å; L80-I85 HydrophobicContact CB-CB 4.18Å; L80-I85 HydrophobicContact CB-CG2 4.45Å; L80-I85 HydrophobicContact CD2-CB 4.11Å; L80-I85 HydrophobicContact CD2-CD1 3.93Å; L80-I85 HydrophobicContact CD2-CG2 4.01Å; L80-I85 PolarHBondContact O-N 2.9Å; L83-I85 HydrophobicContact CB-CD1 3.84Å; L83-I85 HydrophobicContact CD1-CD1 4.39Å; I85-C87 PolarHBondContact O-N 3.09Å; I85-I130 HydrophobicContact CG2-CD1 3.66Å; I85-I130 HydrophobicContact CG2-CG1 3.97Å; I85-L230 HydrophobicContact CD1-CD2 3.63Å; I85-L230 HydrophobicContact CG1-CD2 4.23Å; I85-L230 HydrophobicContact CG2-CD2 4.1Å; I85-I234 HydrophobicContact CD1-CD1 3.26Å; I85-I234 HydrophobicContact CD1-CG1 4.03Å; I85-I234 HydrophobicContact CD1-CG2 4.22Å
86	P	88.6	Confident	83.9	Confident	24 Å²	24	44.8 Å²	44.8	16%	0.156	22%	0.216	C	C	.	.			trans	-58.7	125	178.4	-25	34.8	0	0	0	110.4	V48 G84 M129 I130	V48-P86 HydrophobicContact CB-CG 4.09Å; V48-P86 HydrophobicContact CG2-CB 4.45Å; V48-P86 HydrophobicContact CG2-CG 4.03Å; V48-P86 WeakPolarHBondContact O-CG 3.37Å; G84-P86 WeakPolarHBondContact O-CD 3.32Å; P86-M129 HydrophobicContact CB-CB 4.38Å; P86-M129 HydrophobicContact CB-CG 3.89Å; P86-M129 HydrophobicContact CB-SD 4.1Å; P86-I130 PolarHBondContact O-N 2.92Å
87	C	93.3	Very high	83.6	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.081	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.1	179.5	59.7	0	0	0	0	111.2	L80 N81 I85 I130	L80-C87 HydrophobicContact CB-CB 4.29Å; L80-C87 HydrophobicContact CD1-CB 3.99Å; N81-C87 PolarHBondContact ND2-SG 2.86Å; N81-C87 VanDerWaalsContact ND2-SG 3.43Å; I85-C87 PolarHBondContact O-N 3.09Å; C87-I130 CarbonylContact C-O 3.54Å; C87-I130 WeakPolarHBondContact CA-O 3.43Å; C87-I130 HydrophobicContact CB-CB 3.92Å; C87-I130 WeakPolarHBondContact CB-O 3.32Å
88	Y	94.6	Very high	83.5	Confident	119 Å²	119	52 Å²	52	47%	0.467	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	125.4	178.6	-164.6	-95.9	0	0	0	112	L90 F124 I130 L132	Y88-L90 HydrophobicContact CD1-CD2 3.77Å; Y88-L90 HydrophobicContact CE1-CD2 3.79Å; Y88-F124 HydrophobicContact CD1-CE1 4.13Å; Y88-F124 HydrophobicContact CD1-CE2 4Å; Y88-F124 AromaticContact CD1-CZ 3.68Å; Y88-F124 HydrophobicContact CD1-CZ 3.68Å; Y88-F124 HydrophobicContact CE1-CE2 4.38Å; Y88-F124 AromaticContact CE1-CZ 3.97Å; Y88-F124 HydrophobicContact CE1-CZ 3.97Å; Y88-F124 HydrophobicContact CG-CE1 4.18Å; Y88-F124 HydrophobicContact CG-CZ 4.19Å; Y88-I130 PolarHBondContact N-O 2.48Å; Y88-L132 PolarHBondContact O-N 2.75Å
89	G	94.3	Very high	84.1	Confident	10 Å²	10	47.6 Å²	47.6	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.7	175.7	0	0	0	0	0	114.8	E77 L132	E77-G89 PolarHBondContact OE1-N 2.84Å; G89-L132 CarbonylContact C-O 3.45Å; G89-L132 WeakPolarHBondContact CA-O 3.22Å
90	L	94.1	Very high	84.8	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	110.7	165.3	-55.4	-176.4	0	0	0	109.4	Y88 I95 V117 V120 A121 F124 C131 L132 A134 F135	Y88-L90 HydrophobicContact CD1-CD2 3.77Å; Y88-L90 HydrophobicContact CE1-CD2 3.79Å; L90-I95 HydrophobicContact CD2-CD1 4.28Å; L90-V117 HydrophobicContact CD1-CG1 4.42Å; L90-V120 HydrophobicContact CD1-CG1 4Å; L90-A121 HydrophobicContact CD1-CB 4.16Å; L90-F124 HydrophobicContact CD1-CD2 4.41Å; L90-F124 HydrophobicContact CD2-CD2 4.37Å; L90-F124 HydrophobicContact CD2-CE2 3.89Å; L90-C131 WeakPolarHBondContact CD1-SG 3.45Å; L90-L132 PolarHBondContact N-O 3.49Å; L90-A134 PolarHBondContact O-N 2.75Å; L90-F135 HydrophobicContact CB-CE2 3.94Å; L90-F135 HydrophobicContact CB-CZ 4.19Å; L90-F135 WeakPolarHBondContact O-CE2 3.49Å
91	D	88.3	Confident	85.1	Confident	11 Å²	11	54.6 Å²	54.6	6%	0.059	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.3	175.2	-176.5	86.2	0	0	0	111.5	T70 F74 D93 N94 I95	T70-D91 VanDerWaalsContact CG2-OD1 3.3Å; T70-D91 WeakPolarHBondContact CG2-OD1 3.38Å; T70-D91 PolarHBondContact OG1-OD1 3.4Å; F74-D91 HydrophobicContact CZ-CB 4.36Å; D91-D93 VanDerWaalsContact C-N 3.26Å; D91-D93 PolarHBondContact O-N 2.86Å; D91-D93 WeakPolarHBondContact OD2-CB 3.31Å; D91-D93 PolarHBondContact OD2-N 2.87Å; D91-N94 HydrophobicContact CB-CB 4.39Å; D91-N94 PolarHBondContact O-N 3.3Å; D91-I95 PolarHBondContact O-N 2.91Å; D91-I95 VanDerWaalsContact O-N 3.07Å
92	G	77.9	Confident	85.8	Confident	14 Å²	14	55.7 Å²	55.7	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-54.3	-35.5	179.6	0	0	0	0	0	115.1	R96 A134	G92-R96 WeakPolarHBondContact O-CD 3.27Å; G92-R96 VanDerWaalsContact O-CG 3.25Å; G92-R96 WeakPolarHBondContact O-CG 3.36Å; G92-A134 PolarHBondContact N-O 2.84Å
93	D	76.1	Confident	86.8	Confident	76 Å²	76	49.8 Å²	49.8	41%	0.406	26%	0.259	S	S	.	.	H	α-helix	trans	-78.2	-43.3	178.9	-66.7	-14.8	0	0	0	110.6	D91 I95 R96 H97 K175	D91-D93 VanDerWaalsContact C-N 3.26Å; D91-D93 PolarHBondContact O-N 2.86Å; D91-D93 WeakPolarHBondContact OD2-CB 3.31Å; D91-D93 PolarHBondContact OD2-N 2.87Å; D93-I95 PolarHBondContact O-N 3.43Å; D93-R96 PolarHBondContact O-N 3.36Å; D93-H97 PolarHBondContact O-CD2 3.43Å; D93-H97 PolarHBondContact O-N 3.48Å; D93-K175 IonicContact OD1-NZ 3.61Å; D93-K175 IonicContact OD2-NZ 2.66Å; D93-K175 PolarHBondContact OD2-NZ 3.38Å
94	N	79.4	Confident	87.6	Confident	100 Å²	100	50.4 Å²	50.4	54%	0.535	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-44.7	-177.2	-70.3	-12.8	0	0	0	112.4	D91 R96 H97	D91-N94 HydrophobicContact CB-CB 4.39Å; D91-N94 PolarHBondContact O-N 3.3Å; N94-R96 VanDerWaalsContact C-N 3.26Å; N94-R96 PolarHBondContact O-N 2.96Å; N94-H97 PolarHBondContact O-N 3.22Å
95	I	87.9	Confident	88.1	Confident	23 Å²	23	57 Å²	57	12%	0.118	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-30.7	179.2	-75.6	-69.1	0	0	0	111.9	L90 D91 D93 H97 G98 L99 C100 V117 F135	L90-I95 HydrophobicContact CD2-CD1 4.28Å; D91-I95 PolarHBondContact O-N 2.91Å; D91-I95 VanDerWaalsContact O-N 3.07Å; D93-I95 PolarHBondContact O-N 3.43Å; I95-H97 VanDerWaalsContact C-N 3.3Å; I95-H97 PolarHBondContact O-N 3.35Å; I95-G98 CarbonylContact O-C 3.55Å; I95-G98 PolarHBondContact O-N 2.92Å; I95-L99 HydrophobicContact CG2-CB 4.44Å; I95-L99 PolarHBondContact O-N 2.8Å; I95-C100 HydrophobicContact CG2-CB 3.79Å; I95-C100 WeakPolarHBondContact CG2-SG 3.44Å; I95-C100 PolarHBondContact O-N 3.2Å; I95-V117 HydrophobicContact CG2-CG2 3.9Å; I95-F135 HydrophobicContact CG1-CZ 4.23Å
96	R	84.9	Confident	88.2	Confident	54 Å²	54	59.2 Å²	59.2	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-72.8	-18.7	178.5	-76.3	178.8	176.7	-88.4	-5.3	113.5	G92 D93 N94 C100 K101 G104 N113	G92-R96 WeakPolarHBondContact O-CD 3.27Å; G92-R96 VanDerWaalsContact O-CG 3.25Å; G92-R96 WeakPolarHBondContact O-CG 3.36Å; D93-R96 PolarHBondContact O-N 3.36Å; N94-R96 VanDerWaalsContact C-N 3.26Å; N94-R96 PolarHBondContact O-N 2.96Å; R96-C100 HydrophobicContact CG-CB 4.36Å; R96-K101 WeakPolarHBondContact O-CA 3.2Å; R96-K101 WeakPolarHBondContact O-CB 3.48Å; R96-K101 PolarHBondContact O-N 2.85Å; R96-G104 PolarHBondContact NH1-O 3.11Å; R96-N113 PolarHBondContact NH2-OD1 3.48Å
97	H	86.7	Confident	88	Confident	154 Å²	154	64.2 Å²	64.2	71%	0.713	33%	0.331	S	S	*	.	H	α-helix	trans	-78.5	-20.7	171.2	-69.5	-67.1	0	0	0	113.5	D93 N94 I95	D93-H97 PolarHBondContact O-CD2 3.43Å; D93-H97 PolarHBondContact O-N 3.48Å; N94-H97 PolarHBondContact O-N 3.22Å; I95-H97 VanDerWaalsContact C-N 3.3Å; I95-H97 PolarHBondContact O-N 3.35Å
98	G	91.2	Very high	87.7	Confident	40 Å²	40	69.6 Å²	69.6	41%	0.412	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-99.2	-175.5	0	0	0	0	0	113.1	I95 C100 K101	I95-G98 CarbonylContact O-C 3.55Å; I95-G98 PolarHBondContact O-N 2.92Å; G98-C100 PolarHBondContact O-N 3.33Å; G98-K101 WeakPolarHBondContact O-CB 3.47Å; G98-K101 VanDerWaalsContact O-CG 3.24Å; G98-K101 WeakPolarHBondContact O-CG 3.33Å; G98-K101 PolarHBondContact O-N 3.37Å; G98-K101 VanDerWaalsContact O-N 3.16Å
99	L	91.1	Very high	87.5	Confident	83 Å²	83	66.2 Å²	66.2	44%	0.435	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.9	-173.4	179.1	66.5	0	0	0	113.9	I95 R116 V120	I95-L99 HydrophobicContact CG2-CB 4.44Å; I95-L99 PolarHBondContact O-N 2.8Å; L99-R116 HydrophobicContact CD2-CB 4.22Å; L99-R116 PolarHBondContact O-NH1 2.85Å; L99-V120 HydrophobicContact CD2-CG2 3.51Å
100	C	92.8	Very high	87.2	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.007	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	18.7	-176.3	-67.6	0	0	0	0	113.1	I95 R96 G98 N102 L103 N113	I95-C100 HydrophobicContact CG2-CB 3.79Å; I95-C100 WeakPolarHBondContact CG2-SG 3.44Å; I95-C100 PolarHBondContact O-N 3.2Å; R96-C100 HydrophobicContact CG-CB 4.36Å; G98-C100 PolarHBondContact O-N 3.33Å; C100-N102 PolarHBondContact O-N 3.2Å; C100-N102 VanDerWaalsContact O-N 3.16Å; C100-L103 HydrophobicContact CB-CD1 3.98Å; C100-L103 HydrophobicContact CB-CG 4.47Å; C100-L103 PolarHBondContact O-N 2.92Å; C100-L103 VanDerWaalsContact O-N 3.08Å; C100-N113 WeakPolarHBondContact CB-ND2 3.48Å; C100-N113 PolarHBondContact SG-ND2 2.62Å
101	K	91.9	Very high	87	Confident	165 Å²	165	71.3 Å²	71.3	72%	0.717	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.8	-178.4	73.7	-175.6	179.6	179.1	0	115.1	R96 G98	R96-K101 WeakPolarHBondContact O-CA 3.2Å; R96-K101 WeakPolarHBondContact O-CB 3.48Å; R96-K101 PolarHBondContact O-N 2.85Å; G98-K101 WeakPolarHBondContact O-CB 3.47Å; G98-K101 VanDerWaalsContact O-CG 3.24Å; G98-K101 WeakPolarHBondContact O-CG 3.33Å; G98-K101 PolarHBondContact O-N 3.37Å; G98-K101 VanDerWaalsContact O-N 3.16Å
102	N	92.9	Very high	87.3	Confident	108 Å²	108	73.1 Å²	73.1	58%	0.578	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.8	178	64.5	-32.8	0	0	0	113.6	C100 R116	C100-N102 PolarHBondContact O-N 3.2Å; C100-N102 VanDerWaalsContact O-N 3.16Å; N102-R116 PolarHBondContact OD1-NH1 3.21Å
103	L	90.7	Very high	88	Confident	20 Å²	20	72.9 Å²	72.9	11%	0.105	37%	0.367	C	S	.	.			trans	-101.5	130.1	-177.6	-57.4	179.3	0	0	0	110.4	C100 D109 E112 N113	C100-L103 HydrophobicContact CB-CD1 3.98Å; C100-L103 HydrophobicContact CB-CG 4.47Å; C100-L103 PolarHBondContact O-N 2.92Å; C100-L103 VanDerWaalsContact O-N 3.08Å; L103-D109 HydrophobicContact CB-CB 4.21Å; L103-E112 HydrophobicContact CD1-CB 4.27Å; L103-E112 HydrophobicContact CD1-CG 3.92Å; L103-E112 HydrophobicContact CD2-CB 4.32Å; L103-E112 HydrophobicContact CD2-CG 3.86Å; L103-N113 HydrophobicContact CD1-CB 3.77Å
104	G	85.6	Confident	88.9	Confident	28 Å²	28	69.7 Å²	69.7	29%	0.289	35%	0.35	S	S	.	.			trans	-82.8	-140.4	172.1	0	0	0	0	0	112.8	R96 D109	R96-G104 PolarHBondContact NH1-O 3.11Å; G104-D109 WeakPolarHBondContact CA-OD2 3.37Å; G104-D109 PolarHBondContact N-OD2 2.97Å
105	F	84.1	Confident	89.6	Confident	146 Å²	146	69.9 Å²	69.9	64%	0.64	34%	0.343	S	S	*	.	S	Bend	trans	-126.7	13.6	-175.9	-64.1	-79.8	0	0	0	113.4	R110	F105-R110 PolarHBondContact O-NE 3.18Å; F105-R110 PolarHBondContact O-NH2 3Å
106	S	85.7	Confident	90	Very high	50 Å²	50	71.1 Å²	71.1	35%	0.35	35%	0.347	S	S	.	.	S	Bend	trans	-63.1	167.8	169.5	67.4	0	0	0	0	110.8	E108 D109 R110	S106-E108 VanDerWaalsContact C-N 3.3Å; S106-E108 PolarHBondContact O-N 2.77Å; S106-D109 PolarHBondContact O-N 3.07Å; S106-D109 VanDerWaalsContact OG-CB 3.29Å; S106-D109 WeakPolarHBondContact OG-CB 3.25Å; S106-D109 PolarHBondContact OG-N 3.42Å; S106-D109 VanDerWaalsContact OG-N 3.09Å; S106-D109 PolarHBondContact OG-OD2 3.38Å; S106-R110 WeakPolarHBondContact O-CB 3.35Å; S106-R110 VanDerWaalsContact O-CG 3.22Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.92Å
107	K	83.9	Confident	90.6	Very high	128 Å²	128	68.5 Å²	68.5	56%	0.557	34%	0.337	S	S	*	.	H	α-helix	trans	-61.3	-44	177.8	-174.6	-179.2	175.9	-175.3	0	110.5	R110 Q111	K107-R110 PolarHBondContact O-N 3.14Å; K107-Q111 WeakPolarHBondContact O-CB 3.42Å; K107-Q111 PolarHBondContact O-N 3.19Å
108	E	88.3	Confident	91.1	Very high	125 Å²	125	61.2 Å²	61.2	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-65.5	-42	-179.6	-59.1	69.9	-149.9	0	0	111.2	S106 R110 Q111 E112	S106-E108 VanDerWaalsContact C-N 3.3Å; S106-E108 PolarHBondContact O-N 2.77Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.08Å; E108-Q111 PolarHBondContact O-N 3.38Å; E108-E112 WeakPolarHBondContact O-CB 3.31Å; E108-E112 PolarHBondContact O-N 2.75Å
109	D	90.3	Very high	91.3	Very high	48 Å²	48	62.2 Å²	62.2	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-34.7	177	-75.9	-16.3	0	0	0	112.1	L103 G104 S106 N113	L103-D109 HydrophobicContact CB-CB 4.21Å; G104-D109 WeakPolarHBondContact CA-OD2 3.37Å; G104-D109 PolarHBondContact N-OD2 2.97Å; S106-D109 PolarHBondContact O-N 3.07Å; S106-D109 VanDerWaalsContact OG-CB 3.29Å; S106-D109 WeakPolarHBondContact OG-CB 3.25Å; S106-D109 PolarHBondContact OG-N 3.42Å; S106-D109 VanDerWaalsContact OG-N 3.09Å; S106-D109 PolarHBondContact OG-OD2 3.38Å; D109-N113 WeakPolarHBondContact O-CB 3.16Å; D109-N113 PolarHBondContact O-N 3.06Å
110	R	86.9	Confident	91.6	Very high	46 Å²	46	59.9 Å²	59.9	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-44.1	174.4	-72.4	174.1	-167.2	-160.3	1.1	110.9	F105 S106 K107 E108 N113 I114 G188	F105-R110 PolarHBondContact O-NE 3.18Å; F105-R110 PolarHBondContact O-NH2 3Å; S106-R110 WeakPolarHBondContact O-CB 3.35Å; S106-R110 VanDerWaalsContact O-CG 3.22Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.92Å; K107-R110 PolarHBondContact O-N 3.14Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.08Å; R110-N113 WeakPolarHBondContact O-CB 3.28Å; R110-N113 PolarHBondContact O-N 2.85Å; R110-I114 WeakPolarHBondContact O-CG1 3.32Å; R110-I114 PolarHBondContact O-N 3.28Å; R110-G188 PolarHBondContact NH1-O 3.27Å; R110-G188 PolarHBondContact NH2-O 3.36Å
111	Q	90.5	Very high	91.8	Very high	77 Å²	77	59.8 Å²	59.8	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-49.1	175.7	-178.6	173.7	26.1	0	0	111	K107 E108 N113 I114 R115 D142	K107-Q111 WeakPolarHBondContact O-CB 3.42Å; K107-Q111 PolarHBondContact O-N 3.19Å; E108-Q111 PolarHBondContact O-N 3.38Å; Q111-N113 VanDerWaalsContact C-N 3.29Å; Q111-N113 PolarHBondContact O-N 3.11Å; Q111-I114 PolarHBondContact O-N 2.79Å; Q111-R115 WeakPolarHBondContact O-CB 3.31Å; Q111-R115 PolarHBondContact O-N 2.79Å; Q111-D142 WeakPolarHBondContact CG-OD1 3.32Å
112	E	93.8	Very high	92	Very high	50 Å²	50	53.4 Å²	53.4	23%	0.234	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-34.3	177.1	176.3	58.8	-170.7	0	0	112.2	L103 E108 R115 R116	L103-E112 HydrophobicContact CD1-CB 4.27Å; L103-E112 HydrophobicContact CD1-CG 3.92Å; L103-E112 HydrophobicContact CD2-CB 4.32Å; L103-E112 HydrophobicContact CD2-CG 3.86Å; E108-E112 WeakPolarHBondContact O-CB 3.31Å; E108-E112 PolarHBondContact O-N 2.75Å; E112-R115 PolarHBondContact O-N 3.36Å; E112-R115 IonicContact OE1-CZ 3.1Å; E112-R115 IonicContact OE1-NE 3.34Å; E112-R115 IonicContact OE1-NH2 3.38Å; E112-R115 PolarHBondContact OE1-NH2 3.3Å; E112-R115 IonicContact OE2-CZ 3.01Å; E112-R115 IonicContact OE2-NE 3.21Å; E112-R115 PolarHBondContact OE2-NE 2.86Å; E112-R115 IonicContact OE2-NH2 2.86Å; E112-R115 PolarHBondContact OE2-NH2 2.94Å; E112-R116 WeakPolarHBondContact O-CB 3.39Å; E112-R116 WeakPolarHBondContact O-CG 3.28Å; E112-R116 PolarHBondContact O-N 2.87Å; E112-R116 WeakPolarHBondContact OE1-CG 3.46Å; E112-R116 IonicContact OE1-CZ 3Å; E112-R116 IonicContact OE1-NE 2.75Å; E112-R116 PolarHBondContact OE1-NE 3.03Å; E112-R116 IonicContact OE1-NH2 3.85Å; E112-R116 PolarHBondContact OE1-NH2 3.47Å
113	N	92.8	Very high	92.1	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.043	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-47.3	174.5	175.7	-127.5	0	0	0	111.2	R96 C100 L103 D109 R110 Q111 V117	R96-N113 PolarHBondContact NH2-OD1 3.48Å; C100-N113 WeakPolarHBondContact CB-ND2 3.48Å; C100-N113 PolarHBondContact SG-ND2 2.62Å; L103-N113 HydrophobicContact CD1-CB 3.77Å; D109-N113 WeakPolarHBondContact O-CB 3.16Å; D109-N113 PolarHBondContact O-N 3.06Å; R110-N113 WeakPolarHBondContact O-CB 3.28Å; R110-N113 PolarHBondContact O-N 2.85Å; Q111-N113 VanDerWaalsContact C-N 3.29Å; Q111-N113 PolarHBondContact O-N 3.11Å; N113-V117 WeakPolarHBondContact O-CG2 3.49Å; N113-V117 PolarHBondContact O-N 3.25Å; N113-V117 VanDerWaalsContact O-N 3.14Å
114	I	94.6	Very high	92.3	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.046	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-42.7	177	-63.6	-54.2	0	0	0	111.2	W60 R110 Q111 R116 V117 A118 F135 D142	W60-I114 HydrophobicContact CH2-CG2 3.97Å; W60-I114 HydrophobicContact CZ2-CD1 4.25Å; W60-I114 HydrophobicContact CZ2-CG2 3.74Å; R110-I114 WeakPolarHBondContact O-CG1 3.32Å; R110-I114 PolarHBondContact O-N 3.28Å; Q111-I114 PolarHBondContact O-N 2.79Å; I114-R116 PolarHBondContact O-N 3.48Å; I114-V117 PolarHBondContact O-N 2.66Å; I114-A118 WeakPolarHBondContact O-CB 3.31Å; I114-A118 PolarHBondContact O-N 3.28Å; I114-F135 HydrophobicContact CD1-CB 4.1Å; I114-F135 HydrophobicContact CD1-CD1 4.35Å; I114-F135 HydrophobicContact CD1-CG 4.42Å; I114-D142 HydrophobicContact CB-CB 4.33Å; I114-D142 HydrophobicContact CG2-CB 3.93Å
115	R	96	Very high	92.6	Very high	104 Å²	104	53.8 Å²	53.8	39%	0.392	25%	0.25	S	S	.	.	H	α-helix	trans	-59.2	-46.2	177.2	-166.6	-158.1	64.6	72.5	3.3	112.3	Q111 E112 V117 A118 E119 I149	Q111-R115 WeakPolarHBondContact O-CB 3.31Å; Q111-R115 PolarHBondContact O-N 2.79Å; E112-R115 PolarHBondContact O-N 3.36Å; E112-R115 IonicContact OE1-CZ 3.1Å; E112-R115 IonicContact OE1-NE 3.34Å; E112-R115 IonicContact OE1-NH2 3.38Å; E112-R115 PolarHBondContact OE1-NH2 3.3Å; E112-R115 IonicContact OE2-CZ 3.01Å; E112-R115 IonicContact OE2-NE 3.21Å; E112-R115 PolarHBondContact OE2-NE 2.86Å; E112-R115 IonicContact OE2-NH2 2.86Å; E112-R115 PolarHBondContact OE2-NH2 2.94Å; R115-V117 PolarHBondContact O-N 3.39Å; R115-A118 PolarHBondContact O-N 3.09Å; R115-E119 WeakPolarHBondContact O-CG 3.19Å; R115-E119 PolarHBondContact O-N 3.31Å; R115-E119 VanDerWaalsContact O-N 3.09Å; R115-I149 HydrophobicContact CG-CD1 4.25Å
116	R	96.3	Very high	92.9	Very high	49 Å²	49	48.1 Å²	48.1	19%	0.185	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-42.6	177	-75	-173.7	-170.2	170.5	16.7	112.4	L99 N102 E112 I114 A118 E119 V120	L99-R116 HydrophobicContact CD2-CB 4.22Å; L99-R116 PolarHBondContact O-NH1 2.85Å; N102-R116 PolarHBondContact OD1-NH1 3.21Å; E112-R116 WeakPolarHBondContact O-CB 3.39Å; E112-R116 WeakPolarHBondContact O-CG 3.28Å; E112-R116 PolarHBondContact O-N 2.87Å; E112-R116 WeakPolarHBondContact OE1-CG 3.46Å; E112-R116 IonicContact OE1-CZ 3Å; E112-R116 IonicContact OE1-NE 2.75Å; E112-R116 PolarHBondContact OE1-NE 3.03Å; E112-R116 IonicContact OE1-NH2 3.85Å; E112-R116 PolarHBondContact OE1-NH2 3.47Å; I114-R116 PolarHBondContact O-N 3.48Å; R116-A118 VanDerWaalsContact C-N 3.33Å; R116-E119 PolarHBondContact O-N 2.65Å; R116-V120 WeakPolarHBondContact O-CG2 3.22Å; R116-V120 PolarHBondContact O-N 3.1Å; R116-V120 VanDerWaalsContact O-N 3.1Å
117	V	95.8	Very high	93.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-43.1	177.2	170.1	0	0	0	0	110.4	W60 L90 I95 N113 I114 R115 E119 V120 A121 A133 F135	W60-V117 HydrophobicContact CH2-CB 4.14Å; W60-V117 HydrophobicContact CH2-CG1 3.61Å; W60-V117 HydrophobicContact CZ3-CG1 3.72Å; L90-V117 HydrophobicContact CD1-CG1 4.42Å; I95-V117 HydrophobicContact CG2-CG2 3.9Å; N113-V117 WeakPolarHBondContact O-CG2 3.49Å; N113-V117 PolarHBondContact O-N 3.25Å; N113-V117 VanDerWaalsContact O-N 3.14Å; I114-V117 PolarHBondContact O-N 2.66Å; R115-V117 PolarHBondContact O-N 3.39Å; V117-E119 PolarHBondContact O-N 3.19Å; V117-V120 PolarHBondContact O-N 2.83Å; V117-A121 WeakPolarHBondContact O-CB 3.43Å; V117-A121 PolarHBondContact O-N 2.86Å; V117-A133 HydrophobicContact CG1-CB 4.46Å; V117-F135 HydrophobicContact CB-CE1 4.35Å; V117-F135 HydrophobicContact CB-CE2 4.38Å; V117-F135 HydrophobicContact CB-CZ 4.11Å; V117-F135 HydrophobicContact CG1-CD2 3.81Å; V117-F135 HydrophobicContact CG1-CE1 4.05Å; V117-F135 HydrophobicContact CG1-CE2 3.28Å; V117-F135 HydrophobicContact CG1-CG 4.44Å; V117-F135 HydrophobicContact CG1-CZ 3.43Å; V117-F135 VanDerWaalsContact CG1-CZ 3.43Å; V117-F135 HydrophobicContact CG2-CD1 4.29Å; V117-F135 HydrophobicContact CG2-CE1 3.48Å; V117-F135 VanDerWaalsContact CG2-CE1 3.48Å; V117-F135 HydrophobicContact CG2-CE2 4.23Å; V117-F135 HydrophobicContact CG2-CZ 3.48Å; V117-F135 VanDerWaalsContact CG2-CZ 3.48Å
118	A	97.1	Very high	93.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-43.3	177.8	0	0	0	0	0	112.3	W60 I114 R115 R116 A121 K122 A146 I149 H150	W60-A118 HydrophobicContact CH2-CB 4.36Å; W60-A118 HydrophobicContact CZ3-CB 4.23Å; I114-A118 WeakPolarHBondContact O-CB 3.31Å; I114-A118 PolarHBondContact O-N 3.28Å; R115-A118 PolarHBondContact O-N 3.09Å; R116-A118 VanDerWaalsContact C-N 3.33Å; A118-A121 PolarHBondContact O-N 2.79Å; A118-K122 WeakPolarHBondContact O-CB 3.05Å; A118-K122 PolarHBondContact O-N 2.98Å; A118-A146 HydrophobicContact CB-CB 3.6Å; A118-I149 HydrophobicContact CB-CD1 3.95Å; A118-H150 PolarHBondContact O-CE1 2.73Å; A118-H150 VanDerWaalsContact O-CE1 3.23Å
119	E	97	Very high	93.5	Very high	61 Å²	61	37.7 Å²	37.7	29%	0.285	18%	0.18	S	C	.	.	H	α-helix	trans	-63.6	-41.2	176	-69.2	-70.6	-171.6	0	0	112.4	R115 R116 V117 K122 L123	R115-E119 WeakPolarHBondContact O-CG 3.19Å; R115-E119 PolarHBondContact O-N 3.31Å; R115-E119 VanDerWaalsContact O-N 3.09Å; R116-E119 PolarHBondContact O-N 2.65Å; V117-E119 PolarHBondContact O-N 3.19Å; E119-K122 WeakPolarHBondContact O-CB 3.35Å; E119-K122 PolarHBondContact O-N 3.22Å; E119-K122 IonicContact OE2-NZ 2.75Å; E119-K122 PolarHBondContact OE2-NZ 3.37Å; E119-L123 WeakPolarHBondContact O-CG 3.3Å; E119-L123 PolarHBondContact O-N 3.01Å; E119-L123 VanDerWaalsContact O-N 3.09Å
120	V	96.4	Very high	93.8	Very high	34 Å²	34	35.4 Å²	35.4	21%	0.206	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-41.6	177.8	171.4	0	0	0	0	111.7	L90 L99 R116 V117 K122 L123 F124	L90-V120 HydrophobicContact CD1-CG1 4Å; L99-V120 HydrophobicContact CD2-CG2 3.51Å; R116-V120 WeakPolarHBondContact O-CG2 3.22Å; R116-V120 PolarHBondContact O-N 3.1Å; R116-V120 VanDerWaalsContact O-N 3.1Å; V117-V120 PolarHBondContact O-N 2.83Å; V120-K122 VanDerWaalsContact C-N 3.28Å; V120-K122 PolarHBondContact O-N 3.48Å; V120-L123 WeakPolarHBondContact O-CB 3.04Å; V120-L123 PolarHBondContact O-N 3.22Å; V120-L123 VanDerWaalsContact O-N 3.13Å; V120-F124 HydrophobicContact CG1-CD2 3.7Å; V120-F124 HydrophobicContact CG1-CE2 3.55Å; V120-F124 VanDerWaalsContact O-CD2 3.3Å; V120-F124 WeakPolarHBondContact O-CD2 3.27Å; V120-F124 PolarHBondContact O-N 2.77Å
121	A	96.9	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-41.8	176	0	0	0	0	0	111.2	T58 L90 V117 A118 L123 F124 A125 C131	T58-A121 HydrophobicContact CG2-CB 3.8Å; T58-A121 PolarHBondContact OG1-O 2.97Å; L90-A121 HydrophobicContact CD1-CB 4.16Å; V117-A121 WeakPolarHBondContact O-CB 3.43Å; V117-A121 PolarHBondContact O-N 2.86Å; A118-A121 PolarHBondContact O-N 2.79Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3Å; A121-F124 PolarHBondContact O-N 2.83Å; A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 3.27Å; A121-C131 VanDerWaalsContact CA-SG 3.56Å; A121-C131 HydrophobicContact CB-CB 4.28Å
122	K	96.4	Very high	94.6	Very high	31 Å²	31	29.6 Å²	29.6	14%	0.135	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-43.4	173	-173.9	-165.2	81.4	-166.8	0	112	A118 E119 V120 A125 D126 I149 H150 E153 V155	A118-K122 WeakPolarHBondContact O-CB 3.05Å; A118-K122 PolarHBondContact O-N 2.98Å; E119-K122 WeakPolarHBondContact O-CB 3.35Å; E119-K122 PolarHBondContact O-N 3.22Å; E119-K122 IonicContact OE2-NZ 2.75Å; E119-K122 PolarHBondContact OE2-NZ 3.37Å; V120-K122 VanDerWaalsContact C-N 3.28Å; V120-K122 PolarHBondContact O-N 3.48Å; K122-A125 PolarHBondContact O-N 3.02Å; K122-D126 VanDerWaalsContact O-CB 3.28Å; K122-D126 WeakPolarHBondContact O-CB 3.4Å; K122-D126 PolarHBondContact O-N 3.15Å; K122-I149 HydrophobicContact CB-CG2 4.33Å; K122-I149 HydrophobicContact CD-CG2 3.79Å; K122-I149 WeakPolarHBondContact CD-O 3.36Å; K122-H150 PolarHBondContact N-NE2 2.98Å; K122-E153 HydrophobicContact CD-CB 4.29Å; K122-E153 HydrophobicContact CD-CG 3.74Å; K122-V155 HydrophobicContact CG-CG2 4.15Å
123	L	94.5	Very high	94.8	Very high	110 Å²	110	27.2 Å²	27.2	58%	0.576	13%	0.131	S	C	*	.	H	α-helix	trans	-63.4	-41.2	178	-70.8	172.8	0	0	0	112.2	E119 V120 A121 D126 S127	E119-L123 WeakPolarHBondContact O-CG 3.3Å; E119-L123 PolarHBondContact O-N 3.01Å; E119-L123 VanDerWaalsContact O-N 3.09Å; V120-L123 WeakPolarHBondContact O-CB 3.04Å; V120-L123 PolarHBondContact O-N 3.22Å; V120-L123 VanDerWaalsContact O-N 3.13Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3Å; L123-D126 PolarHBondContact O-N 3.43Å; L123-S127 WeakPolarHBondContact O-CB 3.42Å; L123-S127 PolarHBondContact O-N 3.23Å
124	F	94.6	Very high	94.9	Very high	53 Å²	53	27 Å²	27	23%	0.232	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-42.3	174.9	-83	-62.9	0	0	0	112.8	Y88 L90 V120 A121 S127 M129 C131	Y88-F124 HydrophobicContact CD1-CE1 4.13Å; Y88-F124 HydrophobicContact CD1-CE2 4Å; Y88-F124 AromaticContact CD1-CZ 3.68Å; Y88-F124 HydrophobicContact CD1-CZ 3.68Å; Y88-F124 HydrophobicContact CE1-CE2 4.38Å; Y88-F124 AromaticContact CE1-CZ 3.97Å; Y88-F124 HydrophobicContact CE1-CZ 3.97Å; Y88-F124 HydrophobicContact CG-CE1 4.18Å; Y88-F124 HydrophobicContact CG-CZ 4.19Å; L90-F124 HydrophobicContact CD1-CD2 4.41Å; L90-F124 HydrophobicContact CD2-CD2 4.37Å; L90-F124 HydrophobicContact CD2-CE2 3.89Å; V120-F124 HydrophobicContact CG1-CD2 3.7Å; V120-F124 HydrophobicContact CG1-CE2 3.55Å; V120-F124 VanDerWaalsContact O-CD2 3.3Å; V120-F124 WeakPolarHBondContact O-CD2 3.27Å; V120-F124 PolarHBondContact O-N 2.77Å; A121-F124 PolarHBondContact O-N 2.83Å; F124-S127 PolarHBondContact O-N 3.04Å; F124-S127 PolarHBondContact O-OG 2.78Å; F124-M129 HydrophobicContact CD1-CE 3.22Å; F124-M129 HydrophobicContact CE1-CE 3.63Å; F124-M129 HydrophobicContact CG-CE 4.36Å; F124-M129 PolarHBondContact O-N 2.71Å; F124-M129 VanDerWaalsContact O-N 3.15Å; F124-C131 HydrophobicContact CB-CB 3.81Å
125	A	93.4	Very high	94.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.6	-39.8	176.3	0	0	0	0	0	111.9	G56 A121 K122 S127 G128 M129 V155	G56-A125 WeakPolarHBondContact CA-O 3.42Å; A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 3.27Å; K122-A125 PolarHBondContact O-N 3.02Å; A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 3.01Å; A125-G128 PolarHBondContact O-N 2.98Å; A125-G128 VanDerWaalsContact O-N 3.11Å; A125-M129 WeakPolarHBondContact CA-O 3.41Å; A125-V155 HydrophobicContact CB-CG1 3.38Å
126	D	90.8	Very high	94.7	Very high	28 Å²	28	24.5 Å²	24.5	15%	0.15	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-32.4	175.1	-173.5	66.3	0	0	0	112.3	R41 R44 K122 L123 G128 V155	R41-D126 IonicContact CZ-OD1 2.72Å; R41-D126 IonicContact NE-OD1 3.73Å; R41-D126 PolarHBondContact NE-OD1 3.3Å; R41-D126 IonicContact NH2-OD1 2.75Å; R41-D126 PolarHBondContact NH2-OD1 3.43Å; R44-D126 IonicContact CZ-OD2 2.81Å; R44-D126 VanDerWaalsContact CZ-OD2 3.31Å; R44-D126 PolarHBondContact NH1-O 3.2Å; R44-D126 IonicContact NH1-OD2 2.72Å; R44-D126 PolarHBondContact NH1-OD2 2.95Å; R44-D126 VanDerWaalsContact NH2-CG 3.32Å; R44-D126 PolarHBondContact NH2-O 3.24Å; R44-D126 VanDerWaalsContact NH2-O 3.1Å; R44-D126 IonicContact NH2-OD1 3.43Å; R44-D126 PolarHBondContact NH2-OD1 2.97Å; R44-D126 IonicContact NH2-OD2 3.27Å; R44-D126 PolarHBondContact NH2-OD2 2.75Å; K122-D126 VanDerWaalsContact O-CB 3.28Å; K122-D126 WeakPolarHBondContact O-CB 3.4Å; K122-D126 PolarHBondContact O-N 3.15Å; L123-D126 PolarHBondContact O-N 3.43Å; D126-G128 PolarHBondContact O-N 3.12Å; D126-G128 VanDerWaalsContact O-N 3.1Å; D126-V155 HydrophobicContact CB-CG2 4.42Å
127	S	90.1	Very high	94.5	Very high	43 Å²	43	22.2 Å²	22.2	30%	0.301	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	1.3	173	73.7	0	0	0	0	114.1	L123 F124 A125	L123-S127 WeakPolarHBondContact O-CB 3.42Å; L123-S127 PolarHBondContact O-N 3.23Å; F124-S127 PolarHBondContact O-N 3.04Å; F124-S127 PolarHBondContact O-OG 2.78Å; A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 3.01Å
128	G	87.8	Confident	94.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	15.2	176.6	0	0	0	0	0	114.7	F54 A125 D126	F54-G128 WeakPolarHBondContact CE1-O 3.43Å; A125-G128 PolarHBondContact O-N 2.98Å; A125-G128 VanDerWaalsContact O-N 3.11Å; D126-G128 PolarHBondContact O-N 3.12Å; D126-G128 VanDerWaalsContact O-N 3.1Å
129	M	92.3	Very high	94.1	Very high	41 Å²	41	24.5 Å²	24.5	20%	0.202	13%	0.127	C	C	.	.	S	Bend	trans	-108.8	161.1	179.1	-56.8	-162.3	-59.9	0	0	112.4	G56 C57 P86 F124 A125	G56-M129 WeakPolarHBondContact CA-O 3.5Å; C57-M129 PolarHBondContact N-O 2.82Å; P86-M129 HydrophobicContact CB-CB 4.38Å; P86-M129 HydrophobicContact CB-CG 3.89Å; P86-M129 HydrophobicContact CB-SD 4.1Å; F124-M129 HydrophobicContact CD1-CE 3.22Å; F124-M129 HydrophobicContact CE1-CE 3.63Å; F124-M129 HydrophobicContact CG-CE 4.36Å; F124-M129 PolarHBondContact O-N 2.71Å; F124-M129 VanDerWaalsContact O-N 3.15Å; A125-M129 WeakPolarHBondContact CA-O 3.41Å
130	I	95.2	Very high	94	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115	166.7	-56.1	-169.1	0	0	0	109.4	F54 C57 I59 L80 I85 P86 C87 Y88 L132 L224 L230	F54-I130 HydrophobicContact CE2-CD1 3.63Å; F54-I130 HydrophobicContact CE2-CG1 3.34Å; F54-I130 HydrophobicContact CZ-CD1 4.28Å; F54-I130 HydrophobicContact CZ-CG1 3.53Å; C57-I130 CarbonylContact O-C 3.59Å; C57-I130 WeakPolarHBondContact O-CA 3.43Å; I59-I130 HydrophobicContact CD1-CG2 3.65Å; I59-I130 HydrophobicContact CG1-CG2 3.89Å; L80-I130 HydrophobicContact CD1-CB 4.33Å; L80-I130 HydrophobicContact CD1-CD1 3.85Å; L80-I130 HydrophobicContact CD1-CG2 4.17Å; L80-I130 HydrophobicContact CD2-CD1 3.96Å; I85-I130 HydrophobicContact CG2-CD1 3.66Å; I85-I130 HydrophobicContact CG2-CG1 3.97Å; P86-I130 PolarHBondContact O-N 2.92Å; C87-I130 CarbonylContact C-O 3.54Å; C87-I130 WeakPolarHBondContact CA-O 3.43Å; C87-I130 HydrophobicContact CB-CB 3.92Å; C87-I130 WeakPolarHBondContact CB-O 3.32Å; Y88-I130 PolarHBondContact N-O 2.48Å; I130-L132 HydrophobicContact CG2-CD2 3.63Å; I130-L132 HydrophobicContact CG2-CG 4.35Å; I130-L224 HydrophobicContact CD1-CD1 4.35Å; I130-L230 HydrophobicContact CD1-CD2 3.91Å
131	C	97.3	Very high	93.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.3	171.3	-168.4	0	0	0	0	110.7	C57 T58 I59 L90 A121 F124	C57-C131 PolarHBondContact O-N 3.09Å; T58-C131 WeakPolarHBondContact CA-O 3.38Å; I59-C131 PolarHBondContact N-O 2.89Å; L90-C131 WeakPolarHBondContact CD1-SG 3.45Å; A121-C131 VanDerWaalsContact CA-SG 3.56Å; A121-C131 HydrophobicContact CB-CB 4.28Å; F124-C131 HydrophobicContact CB-CB 3.81Å
132	L	97.9	Very high	93.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	99.4	179.6	-52	174	0	0	0	109.2	I59 F61 S73 L76 E77 L80 Y88 G89 L90 I130	I59-L132 HydrophobicContact CB-CD2 3.94Å; I59-L132 HydrophobicContact CD1-CD2 3.69Å; I59-L132 HydrophobicContact CG1-CD2 4.1Å; F61-L132 HydrophobicContact CE2-CB 4.38Å; F61-L132 HydrophobicContact CE2-CD2 4.39Å; S73-L132 WeakPolarHBondContact O-CD1 3.44Å; S73-L132 WeakPolarHBondContact OG-CB 3.46Å; L76-L132 HydrophobicContact CD2-CD2 3.81Å; L76-L132 HydrophobicContact CG-CD2 4.38Å; E77-L132 HydrophobicContact CB-CD1 3.6Å; E77-L132 HydrophobicContact CG-CD1 4.23Å; L80-L132 HydrophobicContact CD1-CD2 4.35Å; Y88-L132 PolarHBondContact O-N 2.75Å; G89-L132 CarbonylContact C-O 3.45Å; G89-L132 WeakPolarHBondContact CA-O 3.22Å; L90-L132 PolarHBondContact N-O 3.49Å; I130-L132 HydrophobicContact CG2-CD2 3.63Å; I130-L132 HydrophobicContact CG2-CG 4.35Å
133	A	96.9	Very high	93.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.6	-176.1	0	0	0	0	0	111.2	I59 W60 F61 V117 F135	I59-A133 PolarHBondContact O-N 3.28Å; W60-A133 HydrophobicContact CD2-CB 4.14Å; W60-A133 HydrophobicContact CE3-CB 3.59Å; W60-A133 HydrophobicContact CZ3-CB 3.95Å; F61-A133 PolarHBondContact N-O 3.11Å; V117-A133 HydrophobicContact CG1-CB 4.46Å; A133-F135 HydrophobicContact CB-CD2 3.99Å; A133-F135 HydrophobicContact CB-CE2 3.96Å
134	A	96.1	Very high	93.8	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.033	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	91.4	-178	0	0	0	0	0	112.6	K69 L90 G92	K69-A134 HydrophobicContact CB-CB 4.26Å; L90-A134 PolarHBondContact O-N 2.75Å; G92-A134 PolarHBondContact N-O 2.84Å
135	F	93.9	Very high	93.8	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.031	13%	0.132	C	C	.	.			trans	-132.7	151.1	-174.4	-65.9	-97.4	0	0	0	112	F61 K69 L90 I95 I114 V117 A133 S137	F61-F135 PolarHBondContact O-N 3.25Å; K69-F135 VanDerWaalsContact CD-O 3.25Å; K69-F135 WeakPolarHBondContact CD-O 3.2Å; K69-F135 WeakPolarHBondContact CE-O 3.18Å; L90-F135 HydrophobicContact CB-CE2 3.94Å; L90-F135 HydrophobicContact CB-CZ 4.19Å; L90-F135 WeakPolarHBondContact O-CE2 3.49Å; I95-F135 HydrophobicContact CG1-CZ 4.23Å; I114-F135 HydrophobicContact CD1-CB 4.1Å; I114-F135 HydrophobicContact CD1-CD1 4.35Å; I114-F135 HydrophobicContact CD1-CG 4.42Å; V117-F135 HydrophobicContact CB-CE1 4.35Å; V117-F135 HydrophobicContact CB-CE2 4.38Å; V117-F135 HydrophobicContact CB-CZ 4.11Å; V117-F135 HydrophobicContact CG1-CD2 3.81Å; V117-F135 HydrophobicContact CG1-CE1 4.05Å; V117-F135 HydrophobicContact CG1-CE2 3.28Å; V117-F135 HydrophobicContact CG1-CG 4.44Å; V117-F135 HydrophobicContact CG1-CZ 3.43Å; V117-F135 VanDerWaalsContact CG1-CZ 3.43Å; V117-F135 HydrophobicContact CG2-CD1 4.29Å; V117-F135 HydrophobicContact CG2-CE1 3.48Å; V117-F135 VanDerWaalsContact CG2-CE1 3.48Å; V117-F135 HydrophobicContact CG2-CE2 4.23Å; V117-F135 HydrophobicContact CG2-CZ 3.48Å; V117-F135 VanDerWaalsContact CG2-CZ 3.48Å; A133-F135 HydrophobicContact CB-CD2 3.99Å; A133-F135 HydrophobicContact CB-CE2 3.96Å; F135-S137 VanDerWaalsContact C-N 3.27Å; F135-S137 PolarHBondContact O-N 2.79Å; F135-S137 PolarHBondContact O-OG 3.11Å
136	I	92.5	Very high	94	Very high	53 Å²	53	25.7 Å²	25.7	27%	0.272	13%	0.133	S	C	.	.			trans	-60.8	-42.7	174.4	-62.6	175.2	0	0	0	110	T62 P138 T190	T62-I136 PolarHBondContact OG1-O 3.11Å; I136-P138 HydrophobicContact CG2-CB 4.17Å; I136-P138 HydrophobicContact CG2-CG 4.46Å; I136-T190 HydrophobicContact CG2-CG2 3.8Å
137	S	92.1	Very high	94.3	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.014	13%	0.131	C	C	.	.			trans	37.9	61.2	177.4	55.2	0	0	0	0	113	W60 T62 F135 F139 R143	W60-S137 PolarHBondContact NE1-OG 3.28Å; W60-S137 VanDerWaalsContact NE1-OG 3.11Å; T62-S137 VanDerWaalsContact CB-OG 3.25Å; T62-S137 WeakPolarHBondContact CB-OG 3.41Å; T62-S137 PolarHBondContact OG1-O 2.66Å; T62-S137 PolarHBondContact OG1-OG 3.09Å; T62-S137 VanDerWaalsContact OG1-OG 3.07Å; F135-S137 VanDerWaalsContact C-N 3.27Å; F135-S137 PolarHBondContact O-N 2.79Å; F135-S137 PolarHBondContact O-OG 3.11Å; S137-F139 PolarHBondContact O-N 3.2Å; S137-R143 WeakPolarHBondContact O-CD 3.47Å; S137-R143 PolarHBondContact O-NH1 2.92Å
138	P	91.4	Very high	94.6	Very high	10 Å²	10	29.4 Å²	29.4	7%	0.065	14%	0.141	C	C	.	.			trans	-73.2	-25.1	-161.2	29.1	-35.5	0	0	0	114.8	I136 R143 T190 Y196 E197	I136-P138 HydrophobicContact CG2-CB 4.17Å; I136-P138 HydrophobicContact CG2-CG 4.46Å; P138-R143 PolarHBondContact O-NH1 2.86Å; P138-T190 HydrophobicContact CB-CG2 3.72Å; P138-Y196 HydrophobicContact CB-CD2 3.99Å; P138-E197 WeakPolarHBondContact O-CB 3.32Å; P138-E197 PolarHBondContact O-N 2.94Å
139	F	92.8	Very high	95	Very high	37 Å²	37	30.7 Å²	30.7	16%	0.162	15%	0.148	C	C	.	.			trans	-95.3	135.4	-175.6	-55.7	-60.1	0	0	0	110.8	S137 E141 D142 R143 E197	S137-F139 PolarHBondContact O-N 3.2Å; F139-E141 VanDerWaalsContact C-N 3.31Å; F139-E141 PolarHBondContact O-N 2.94Å; F139-D142 PolarHBondContact O-N 2.92Å; F139-R143 PolarHBondContact O-N 3.02Å; F139-R143 PolarHBondContact O-NH1 3.26Å; F139-E197 WeakPolarHBondContact CA-OE2 3.39Å
140	Q	94.2	Very high	95.2	Very high	53 Å²	53	28.7 Å²	28.7	25%	0.248	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-39.1	179.9	-176.4	175.8	5.4	0	0	111.4	D142 R143 L144 E197 E200	Q140-D142 PolarHBondContact O-N 3.47Å; Q140-R143 PolarHBondContact O-N 3.48Å; Q140-L144 HydrophobicContact CG-CD1 4Å; Q140-L144 HydrophobicContact CG-CG 4.29Å; Q140-L144 WeakPolarHBondContact O-CG 3.26Å; Q140-L144 PolarHBondContact O-N 2.67Å; Q140-E197 HydrophobicContact CB-CB 4.38Å; Q140-E197 PolarHBondContact N-OE2 3.31Å; Q140-E200 PolarHBondContact NE2-OE2 3.14Å
141	E	94.4	Very high	95.1	Very high	119 Å²	119	33.9 Å²	33.9	56%	0.556	16%	0.162	S	C	*	.	H	α-helix	trans	-56.1	-48.5	178	-172.7	175.5	-167.2	0	0	111.9	F139 R143 L144 D145	F139-E141 VanDerWaalsContact C-N 3.31Å; F139-E141 PolarHBondContact O-N 2.94Å; E141-R143 VanDerWaalsContact C-N 3.32Å; E141-R143 PolarHBondContact O-N 2.77Å; E141-L144 PolarHBondContact O-N 2.99Å; E141-D145 PolarHBondContact O-N 3.01Å
142	D	94.6	Very high	94.8	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.059	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-37.9	-179.9	-64.6	-23	0	0	0	112.3	Q111 I114 F139 Q140 A146	Q111-D142 WeakPolarHBondContact CG-OD1 3.32Å; I114-D142 HydrophobicContact CB-CB 4.33Å; I114-D142 HydrophobicContact CG2-CB 3.93Å; F139-D142 PolarHBondContact O-N 2.92Å; Q140-D142 PolarHBondContact O-N 3.47Å; D142-A146 WeakPolarHBondContact O-CB 3.31Å; D142-A146 PolarHBondContact O-N 3.3Å
143	R	96.2	Very high	94.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-72.4	-38.6	178.3	-62.4	-167.8	-53.6	-90.6	-1.1	111.7	S137 P138 F139 Q140 E141 D145 A146 R147 E159 E197	S137-R143 WeakPolarHBondContact O-CD 3.47Å; S137-R143 PolarHBondContact O-NH1 2.92Å; P138-R143 PolarHBondContact O-NH1 2.86Å; F139-R143 PolarHBondContact O-N 3.02Å; F139-R143 PolarHBondContact O-NH1 3.26Å; Q140-R143 PolarHBondContact O-N 3.48Å; E141-R143 VanDerWaalsContact C-N 3.32Å; E141-R143 PolarHBondContact O-N 2.77Å; R143-D145 VanDerWaalsContact C-N 3.33Å; R143-A146 PolarHBondContact O-N 2.86Å; R143-R147 WeakPolarHBondContact O-CB 3.19Å; R143-R147 PolarHBondContact O-N 3.35Å; R143-E159 WeakPolarHBondContact CD-OE1 3.34Å; R143-E159 IonicContact CZ-OE1 2.67Å; R143-E159 IonicContact NE-OE1 3.55Å; R143-E159 PolarHBondContact NE-OE1 3.45Å; R143-E197 VanDerWaalsContact CZ-O 3.31Å; R143-E197 PolarHBondContact NH1-O 3.27Å; R143-E197 PolarHBondContact NH2-O 3.39Å
144	L	95.6	Very high	93.9	Very high	73 Å²	73	44.7 Å²	44.7	38%	0.382	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-39.2	173.5	-72.5	174.6	0	0	0	111.5	Q140 E141 R147 K148	Q140-L144 HydrophobicContact CG-CD1 4Å; Q140-L144 HydrophobicContact CG-CG 4.29Å; Q140-L144 WeakPolarHBondContact O-CG 3.26Å; Q140-L144 PolarHBondContact O-N 2.67Å; E141-L144 PolarHBondContact O-N 2.99Å; L144-R147 WeakPolarHBondContact O-CB 3.4Å; L144-R147 PolarHBondContact O-N 3.1Å; L144-K148 VanDerWaalsContact O-CG 3.3Å; L144-K148 WeakPolarHBondContact O-CG 3.44Å; L144-K148 PolarHBondContact O-N 3.21Å
145	D	95.3	Very high	93.7	Very high	55 Å²	55	44.6 Å²	44.6	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-69.2	-39.9	175.8	-75.3	-9.9	0	0	0	111.9	E141 R143 R147 K148 I149	E141-D145 PolarHBondContact O-N 3.01Å; R143-D145 VanDerWaalsContact C-N 3.33Å; D145-R147 VanDerWaalsContact C-N 3.29Å; D145-R147 PolarHBondContact O-N 2.9Å; D145-K148 PolarHBondContact O-N 3.32Å; D145-K148 IonicContact OD1-NZ 3.48Å; D145-K148 PolarHBondContact OD1-NZ 2.95Å; D145-I149 VanDerWaalsContact O-CG1 3.32Å; D145-I149 WeakPolarHBondContact O-CG1 3.43Å; D145-I149 PolarHBondContact O-N 3.47Å
146	A	96.4	Very high	93.8	Very high	2 Å²	2	50 Å²	50	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-57.5	-42.8	171	0	0	0	0	0	111.9	W60 A118 D142 R143 I149 H150 F157	W60-A146 HydrophobicContact CH2-CB 4.29Å; W60-A146 HydrophobicContact CZ2-CB 4.49Å; W60-A146 HydrophobicContact CZ3-CB 4.38Å; A118-A146 HydrophobicContact CB-CB 3.6Å; D142-A146 WeakPolarHBondContact O-CB 3.31Å; D142-A146 PolarHBondContact O-N 3.3Å; R143-A146 PolarHBondContact O-N 2.86Å; A146-I149 PolarHBondContact O-N 3.24Å; A146-H150 PolarHBondContact O-N 3.33Å; A146-H150 PolarHBondContact O-ND1 2.95Å; A146-F157 HydrophobicContact CB-CE2 4.14Å; A146-F157 HydrophobicContact CB-CZ 4.2Å
147	R	97.1	Very high	94	Very high	28 Å²	28	48 Å²	48	11%	0.106	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-49.6	174.4	179.8	-177.8	-65	-87.3	5	111.9	R143 L144 D145 I149 H150 E151 F157 E159 E203	R143-R147 WeakPolarHBondContact O-CB 3.19Å; R143-R147 PolarHBondContact O-N 3.35Å; L144-R147 WeakPolarHBondContact O-CB 3.4Å; L144-R147 PolarHBondContact O-N 3.1Å; D145-R147 VanDerWaalsContact C-N 3.29Å; D145-R147 PolarHBondContact O-N 2.9Å; R147-I149 VanDerWaalsContact C-N 3.29Å; R147-I149 PolarHBondContact O-N 2.9Å; R147-H150 PolarHBondContact O-N 3.3Å; R147-E151 WeakPolarHBondContact CD-OE1 3.16Å; R147-E151 HydrophobicContact CG-CG 4.24Å; R147-E151 WeakPolarHBondContact CG-OE1 3.32Å; R147-E151 WeakPolarHBondContact O-CG 3.19Å; R147-E151 PolarHBondContact O-N 3.45Å; R147-F157 HydrophobicContact CB-CD1 3.75Å; R147-F157 HydrophobicContact CB-CE1 3.83Å; R147-F157 HydrophobicContact CB-CG 4.27Å; R147-F157 HydrophobicContact CB-CZ 4.42Å; R147-F157 HydrophobicContact CG-CD1 3.86Å; R147-F157 HydrophobicContact CG-CE1 4.38Å; R147-F157 HydrophobicContact CG-CG 4.38Å; R147-E159 IonicContact CZ-OE2 3.28Å; R147-E159 IonicContact NH2-OE2 3.34Å; R147-E159 PolarHBondContact NH2-OE2 3.48Å; R147-E203 IonicContact CZ-OE1 2.79Å; R147-E203 IonicContact CZ-OE2 3.75Å; R147-E203 IonicContact NH1-OE1 2.77Å; R147-E203 PolarHBondContact NH1-OE1 3.02Å; R147-E203 IonicContact NH1-OE2 3.71Å; R147-E203 PolarHBondContact NH1-OE2 3.15Å; R147-E203 IonicContact NH2-OE1 2.59Å; R147-E203 PolarHBondContact NH2-OE1 2.81Å; R147-E203 IonicContact NH2-OE2 2.76Å; R147-E203 PolarHBondContact NH2-OE2 3.37Å
148	K	96.4	Very high	94.3	Very high	121 Å²	121	48.2 Å²	48.2	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-57.3	-40.5	177.6	-71.2	170.8	-159.9	157.2	0	112.4	L144 D145 H150 E151 S152	L144-K148 VanDerWaalsContact O-CG 3.3Å; L144-K148 WeakPolarHBondContact O-CG 3.44Å; L144-K148 PolarHBondContact O-N 3.21Å; D145-K148 PolarHBondContact O-N 3.32Å; D145-K148 IonicContact OD1-NZ 3.48Å; D145-K148 PolarHBondContact OD1-NZ 2.95Å; K148-H150 VanDerWaalsContact C-N 3.26Å; K148-H150 PolarHBondContact O-N 3.05Å; K148-E151 PolarHBondContact O-N 3.34Å; K148-S152 WeakPolarHBondContact O-CB 3.35Å; K148-S152 PolarHBondContact O-N 2.91Å; K148-S152 PolarHBondContact O-OG 3.07Å
149	I	96.1	Very high	94.6	Very high	27 Å²	27	48.2 Å²	48.2	14%	0.138	24%	0.238	C	C	.	.	H	α-helix	trans	-56.2	-42.2	176.5	-75.3	166.3	0	0	0	110.8	R115 A118 K122 D145 A146 R147 S152	R115-I149 HydrophobicContact CG-CD1 4.25Å; A118-I149 HydrophobicContact CB-CD1 3.95Å; K122-I149 HydrophobicContact CB-CG2 4.33Å; K122-I149 HydrophobicContact CD-CG2 3.79Å; K122-I149 WeakPolarHBondContact CD-O 3.36Å; D145-I149 VanDerWaalsContact O-CG1 3.32Å; D145-I149 WeakPolarHBondContact O-CG1 3.43Å; D145-I149 PolarHBondContact O-N 3.47Å; A146-I149 PolarHBondContact O-N 3.24Å; R147-I149 VanDerWaalsContact C-N 3.29Å; R147-I149 PolarHBondContact O-N 2.9Å; I149-S152 PolarHBondContact O-OG 2.95Å
150	H	96.8	Very high	94.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-74.9	-47.4	179	-70.4	72.8	0	0	0	112.2	T58 A118 K122 A146 R147 K148 S152 E153 N154 V155 F157	T58-H150 VanDerWaalsContact CB-NE2 3.29Å; T58-H150 WeakPolarHBondContact CB-NE2 3.4Å; T58-H150 PolarHBondContact OG1-CD2 2.93Å; T58-H150 VanDerWaalsContact OG1-CD2 3.31Å; T58-H150 PolarHBondContact OG1-NE2 3.26Å; A118-H150 PolarHBondContact O-CE1 2.73Å; A118-H150 VanDerWaalsContact O-CE1 3.23Å; K122-H150 PolarHBondContact N-NE2 2.98Å; A146-H150 PolarHBondContact O-N 3.33Å; A146-H150 PolarHBondContact O-ND1 2.95Å; R147-H150 PolarHBondContact O-N 3.3Å; K148-H150 VanDerWaalsContact C-N 3.26Å; K148-H150 PolarHBondContact O-N 3.05Å; H150-S152 VanDerWaalsContact C-N 3.25Å; H150-S152 PolarHBondContact O-N 3.47Å; H150-E153 PolarHBondContact O-N 2.62Å; H150-N154 PolarHBondContact O-N 3.14Å; H150-V155 CarbonylContact C-O 3.6Å; H150-V155 HydrophobicContact CB-CB 4.16Å; H150-V155 HydrophobicContact CB-CG1 4.43Å; H150-V155 WeakPolarHBondContact O-CB 3.22Å; H150-V155 PolarHBondContact O-N 2.68Å; H150-F157 HydrophobicContact CB-CB 3.85Å; H150-F157 HydrophobicContact CB-CD2 4.26Å; H150-F157 HydrophobicContact CB-CG 4.46Å; H150-F157 AromaticContact CE1-CD2 3.77Å; H150-F157 AromaticContact CG-CD2 3.7Å; H150-F157 AromaticContact ND1-CD2 3.51Å
151	E	93.2	Very high	95.1	Very high	108 Å²	108	44.8 Å²	44.8	51%	0.505	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-33.9	-178	-71.6	175.4	174.4	0	0	112.3	R147 K148 E153 N154	R147-E151 WeakPolarHBondContact CD-OE1 3.16Å; R147-E151 HydrophobicContact CG-CG 4.24Å; R147-E151 WeakPolarHBondContact CG-OE1 3.32Å; R147-E151 WeakPolarHBondContact O-CG 3.19Å; R147-E151 PolarHBondContact O-N 3.45Å; K148-E151 PolarHBondContact O-N 3.34Å; E151-E153 PolarHBondContact O-N 2.93Å; E151-E153 VanDerWaalsContact O-N 3.17Å; E151-N154 PolarHBondContact O-N 3.49Å
152	S	90.9	Very high	95.2	Very high	80 Å²	80	39.2 Å²	39.2	56%	0.559	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25	176	72	0	0	0	0	113.9	K148 I149 H150	K148-S152 WeakPolarHBondContact O-CB 3.35Å; K148-S152 PolarHBondContact O-N 2.91Å; K148-S152 PolarHBondContact O-OG 3.07Å; I149-S152 PolarHBondContact O-OG 2.95Å; H150-S152 VanDerWaalsContact C-N 3.25Å; H150-S152 PolarHBondContact O-N 3.47Å
153	E	86.4	Confident	95.3	Very high	26 Å²	26	41 Å²	41	12%	0.121	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	13.2	177.1	-65.2	-58.4	159.5	0	0	112.9	Y22 R41 K122 H150 E151 V155	Y22-E153 WeakPolarHBondContact CE1-OE1 3.35Å; Y22-E153 PolarHBondContact OH-OE1 2.81Å; Y22-E153 PolarHBondContact OH-OE2 2.75Å; R41-E153 PolarHBondContact NH1-O 3.46Å; R41-E153 PolarHBondContact NH2-O 3.33Å; K122-E153 HydrophobicContact CD-CB 4.29Å; K122-E153 HydrophobicContact CD-CG 3.74Å; H150-E153 PolarHBondContact O-N 2.62Å; E151-E153 PolarHBondContact O-N 2.93Å; E151-E153 VanDerWaalsContact O-N 3.17Å; E153-V155 HydrophobicContact CB-CG2 3.89Å; E153-V155 PolarHBondContact O-N 3.24Å; E153-V155 VanDerWaalsContact O-N 3.14Å
154	N	89.2	Confident	95.2	Very high	121 Å²	121	41.4 Å²	41.4	65%	0.647	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	31.3	-171.9	-168.9	33.9	0	0	0	112.5	R41 H150 E151	R41-N154 PolarHBondContact NH1-O 3.18Å; H150-N154 PolarHBondContact O-N 3.14Å; E151-N154 PolarHBondContact O-N 3.49Å
155	V	92.4	Very high	95	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	22%	0.217	C	C	.	.			trans	-89.5	133.8	173.6	178.6	0	0	0	0	108.1	R41 K122 A125 D126 H150 E153	R41-V155 VanDerWaalsContact NH2-CG2 3.31Å; K122-V155 HydrophobicContact CG-CG2 4.15Å; A125-V155 HydrophobicContact CB-CG1 3.38Å; D126-V155 HydrophobicContact CB-CG2 4.42Å; H150-V155 CarbonylContact C-O 3.6Å; H150-V155 HydrophobicContact CB-CB 4.16Å; H150-V155 HydrophobicContact CB-CG1 4.43Å; H150-V155 WeakPolarHBondContact O-CB 3.22Å; H150-V155 PolarHBondContact O-N 2.68Å; E153-V155 HydrophobicContact CB-CG2 3.89Å; E153-V155 PolarHBondContact O-N 3.24Å; E153-V155 VanDerWaalsContact O-N 3.14Å
156	K	95.1	Very high	94.9	Very high	119 Å²	119	41 Å²	41	52%	0.517	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.4	179.5	-65.2	-65	-172	-175.6	0	110.8	C57 T58 L229	C57-K156 HydrophobicContact CB-CB 3.91Å; T58-K156 PolarHBondContact N-O 3.08Å; K156-L229 HydrophobicContact CB-CD1 4.42Å; K156-L229 HydrophobicContact CB-CD2 4.08Å; K156-L229 HydrophobicContact CG-CD2 3.94Å
157	F	97.4	Very high	94.7	Very high	12 Å²	12	47 Å²	47	5%	0.053	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.8	178.6	-177	-89	0	0	0	109.1	T58 W60 A146 R147 H150 E159	T58-F157 HydrophobicContact CG2-CD2 4.07Å; T58-F157 HydrophobicContact CG2-CE2 4.23Å; W60-F157 HydrophobicContact CB-CE1 4.15Å; W60-F157 HydrophobicContact CB-CE2 3.72Å; W60-F157 HydrophobicContact CB-CZ 3.45Å; W60-F157 VanDerWaalsContact CB-CZ 3.45Å; W60-F157 AromaticContact CD2-CE2 3.95Å; W60-F157 HydrophobicContact CD2-CE2 3.95Å; W60-F157 AromaticContact CD2-CZ 3.9Å; W60-F157 HydrophobicContact CD2-CZ 3.9Å; W60-F157 AromaticContact CE3-CE2 3.77Å; W60-F157 HydrophobicContact CE3-CE2 3.77Å; W60-F157 HydrophobicContact CE3-CZ 4.21Å; W60-F157 AromaticContact CG-CE2 3.95Å; W60-F157 HydrophobicContact CG-CE2 3.95Å; W60-F157 AromaticContact CG-CZ 3.57Å; W60-F157 HydrophobicContact CG-CZ 3.57Å; A146-F157 HydrophobicContact CB-CE2 4.14Å; A146-F157 HydrophobicContact CB-CZ 4.2Å; R147-F157 HydrophobicContact CB-CD1 3.75Å; R147-F157 HydrophobicContact CB-CE1 3.83Å; R147-F157 HydrophobicContact CB-CG 4.27Å; R147-F157 HydrophobicContact CB-CZ 4.42Å; R147-F157 HydrophobicContact CG-CD1 3.86Å; R147-F157 HydrophobicContact CG-CE1 4.38Å; R147-F157 HydrophobicContact CG-CG 4.38Å; H150-F157 HydrophobicContact CB-CB 3.85Å; H150-F157 HydrophobicContact CB-CD2 4.26Å; H150-F157 HydrophobicContact CB-CG 4.46Å; H150-F157 AromaticContact CE1-CD2 3.77Å; H150-F157 AromaticContact CG-CD2 3.7Å; H150-F157 AromaticContact ND1-CD2 3.51Å; F157-E159 HydrophobicContact CE1-CB 4.06Å
158	I	98.1	Very high	94.5	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.2	-178.3	-63.7	171.2	0	0	0	107.9	T58 W60 V160 E203 I204 L224 L229	T58-I158 PolarHBondContact O-N 3.14Å; W60-I158 PolarHBondContact N-O 2.89Å; I158-V160 HydrophobicContact CG2-CG2 4.09Å; I158-E203 HydrophobicContact CG2-CB 3.87Å; I158-E203 HydrophobicContact CG2-CG 4.49Å; I158-I204 HydrophobicContact CG2-CD1 3.84Å; I158-I204 HydrophobicContact CG2-CG1 4.08Å; I158-L224 HydrophobicContact CD1-CD2 3.32Å; I158-L229 HydrophobicContact CD1-CD1 3.45Å; I158-L229 VanDerWaalsContact CD1-CD1 3.45Å; I158-L229 HydrophobicContact CG1-CD1 4.47Å
159	E	98.3	Very high	94.4	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.047	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.1	176.1	-171	171.6	-163.5	0	0	110.4	T62 R143 R147 F157 P199 A202 E203 I204	T62-E159 HydrophobicContact CG2-CG 4.29Å; R143-E159 WeakPolarHBondContact CD-OE1 3.34Å; R143-E159 IonicContact CZ-OE1 2.67Å; R143-E159 IonicContact NE-OE1 3.55Å; R143-E159 PolarHBondContact NE-OE1 3.45Å; R147-E159 IonicContact CZ-OE2 3.28Å; R147-E159 IonicContact NH2-OE2 3.34Å; R147-E159 PolarHBondContact NH2-OE2 3.48Å; F157-E159 HydrophobicContact CE1-CB 4.06Å; E159-P199 HydrophobicContact CG-CB 4.47Å; E159-P199 WeakPolarHBondContact OE1-CB 3.29Å; E159-A202 HydrophobicContact CG-CB 4.41Å; E159-E203 WeakPolarHBondContact CB-OE2 3.47Å; E159-E203 PolarHBondContact N-OE2 3.17Å; E159-E203 PolarHBondContact O-N 3.21Å; E159-E203 VanDerWaalsContact O-N 3.11Å; E159-I204 PolarHBondContact O-N 2.8Å
160	V	98.4	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.2	-179.7	-174.3	0	0	0	0	109.3	I59 W60 F61 T62 I158 V162 I204 L206	I59-V160 HydrophobicContact CG2-CG2 3.5Å; I59-V160 VanDerWaalsContact CG2-CG2 3.5Å; W60-V160 PolarHBondContact O-N 2.89Å; F61-V160 WeakPolarHBondContact CA-O 3.24Å; F61-V160 HydrophobicContact CD1-CB 3.76Å; F61-V160 HydrophobicContact CD1-CG1 3.65Å; F61-V160 HydrophobicContact CD1-CG2 4.37Å; F61-V160 HydrophobicContact CE1-CB 4.1Å; F61-V160 HydrophobicContact CE1-CG1 3.81Å; F61-V160 HydrophobicContact CE1-CG2 4.29Å; F61-V160 HydrophobicContact CG-CB 4.36Å; T62-V160 PolarHBondContact N-O 3.26Å; I158-V160 HydrophobicContact CG2-CG2 4.09Å; V160-V162 PolarHBondContact O-N 3.31Å; V160-I204 CarbonylContact C-O 3.25Å; V160-I204 WeakPolarHBondContact CA-O 3.28Å; V160-I204 HydrophobicContact CB-CB 4.46Å; V160-I204 HydrophobicContact CG1-CB 4.16Å; V160-I204 HydrophobicContact CG1-CG2 4.2Å; V160-I204 HydrophobicContact CG2-CB 4.12Å; V160-I204 HydrophobicContact CG2-CD1 4.09Å; V160-I204 HydrophobicContact CG2-CG1 4.42Å; V160-L206 HydrophobicContact CG1-CD1 3.45Å; V160-L206 VanDerWaalsContact CG1-CD1 3.45Å; V160-L206 HydrophobicContact CG1-CG 3.78Å
161	H	98.2	Very high	94	Very high	19 Å²	19	51 Å²	51	9%	0.088	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	108.9	174.9	-175.3	-157.5	0	0	0	110.6	S163 Y196 P199 A202 I204 I205 L206	H161-S163 VanDerWaalsContact C-N 3.34Å; H161-S163 PolarHBondContact O-N 3.13Å; H161-S163 VanDerWaalsContact O-N 3.1Å; H161-Y196 PolarHBondContact CD2-OH 2.83Å; H161-Y196 AromaticContact NE2-CE1 3.77Å; H161-P199 HydrophobicContact CB-CG 3.53Å; H161-A202 HydrophobicContact CB-CB 3.93Å; H161-I204 PolarHBondContact N-O 2.98Å; H161-I205 HydrophobicContact CB-CG1 4.41Å; H161-L206 PolarHBondContact O-N 3.38Å
162	V	97.6	Very high	93.9	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	84.3	170.9	-170.3	0	0	0	0	108.5	F61 T62 A67 K69 I72 V160 T164 L206 A208	F61-V162 HydrophobicContact CB-CG2 4.48Å; F61-V162 HydrophobicContact CD1-CG2 4.1Å; T62-V162 PolarHBondContact O-N 3.38Å; A67-V162 HydrophobicContact CB-CB 4.4Å; A67-V162 HydrophobicContact CB-CG1 4Å; A67-V162 WeakPolarHBondContact O-CG1 3.44Å; K69-V162 HydrophobicContact CG-CB 4.07Å; K69-V162 HydrophobicContact CG-CG2 3.8Å; I72-V162 HydrophobicContact CD1-CG1 4.05Å; I72-V162 HydrophobicContact CD1-CG2 4.41Å; V160-V162 PolarHBondContact O-N 3.31Å; V162-T164 PolarHBondContact O-N 3.41Å; V162-T164 VanDerWaalsContact O-N 3.08Å; V162-L206 CarbonylContact C-O 3.6Å; V162-A208 HydrophobicContact CG1-CB 3.78Å
163	S	95.6	Very high	93.9	Very high	50 Å²	50	48.5 Å²	48.5	35%	0.35	24%	0.24	S	C	.	.			trans	-81.2	79.9	-172.3	-180	0	0	0	0	111.4	H161 L206	H161-S163 VanDerWaalsContact C-N 3.34Å; H161-S163 PolarHBondContact O-N 3.13Å; H161-S163 VanDerWaalsContact O-N 3.1Å; S163-L206 PolarHBondContact N-O 3.2Å
164	T	93.8	Very high	93.8	Very high	8 Å²	8	52 Å²	52	5%	0.049	27%	0.265	C	S	.	.			trans	-111.5	134.1	174	-56.3	0	0	0	0	109.5	A67 V162 V168	A67-T164 PolarHBondContact O-OG1 2.78Å; V162-T164 PolarHBondContact O-N 3.41Å; V162-T164 VanDerWaalsContact O-N 3.08Å; T164-V168 HydrophobicContact CG2-CB 3.8Å; T164-V168 HydrophobicContact CG2-CG1 3.56Å
165	T	93	Very high	93.7	Very high	78 Å²	78	51.1 Å²	51.1	48%	0.479	26%	0.255	S	S	.	.			trans	-64.8	155.5	-177.7	81.5	0	0	0	0	111.9	E167 V168 C169	T165-E167 VanDerWaalsContact C-N 3.27Å; T165-E167 WeakPolarHBondContact CB-OE2 3.14Å; T165-E167 PolarHBondContact O-N 2.94Å; T165-E167 PolarHBondContact OG1-OE2 3.22Å; T165-V168 PolarHBondContact O-N 3.19Å; T165-V168 PolarHBondContact OG1-N 3.43Å; T165-C169 PolarHBondContact O-N 3.24Å; T165-C169 PolarHBondContact O-SG 3.29Å
166	L	92.5	Very high	93.6	Very high	41 Å²	41	56.7 Å²	56.7	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-40.2	179.9	177.9	63.4	0	0	0	111.4	L64 V168 C169 E170 Y178 G191 I192	L64-L166 HydrophobicContact CD1-CB 4.02Å; L64-L166 HydrophobicContact CD1-CD1 4.19Å; L166-V168 VanDerWaalsContact C-N 3.35Å; L166-V168 PolarHBondContact O-N 3.19Å; L166-C169 WeakPolarHBondContact O-CB 3.43Å; L166-C169 PolarHBondContact O-N 2.88Å; L166-C169 VanDerWaalsContact O-N 3.16Å; L166-E170 HydrophobicContact CD1-CG 4.13Å; L166-E170 HydrophobicContact CG-CG 4.33Å; L166-E170 WeakPolarHBondContact CG-OE1 3.4Å; L166-E170 WeakPolarHBondContact O-CB 3.49Å; L166-E170 WeakPolarHBondContact O-CG 3.32Å; L166-E170 PolarHBondContact O-N 2.83Å; L166-Y178 HydrophobicContact CD1-CD1 4.39Å; L166-Y178 HydrophobicContact CD1-CE1 3.51Å; L166-G191 WeakPolarHBondContact CD2-O 3.42Å; L166-I192 HydrophobicContact CD1-CD1 4.39Å
167	E	92.4	Very high	93.4	Very high	130 Å²	130	53.1 Å²	53.1	61%	0.607	27%	0.267	S	S	*	.	H	α-helix	trans	-61.1	-44.1	-179.5	-57.6	73	-157.4	0	0	111.2	T165 E170 Q171	T165-E167 VanDerWaalsContact C-N 3.27Å; T165-E167 WeakPolarHBondContact CB-OE2 3.14Å; T165-E167 PolarHBondContact O-N 2.94Å; T165-E167 PolarHBondContact OG1-OE2 3.22Å; E167-E170 PolarHBondContact O-N 3.29Å; E167-Q171 WeakPolarHBondContact O-CB 3.45Å; E167-Q171 PolarHBondContact O-N 2.94Å
168	V	92.6	Very high	93.1	Very high	37 Å²	37	52.7 Å²	52.7	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-38.9	176.7	174.9	0	0	0	0	110.8	T164 T165 L166 Q171 R172	T164-V168 HydrophobicContact CG2-CB 3.8Å; T164-V168 HydrophobicContact CG2-CG1 3.56Å; T165-V168 PolarHBondContact O-N 3.19Å; T165-V168 PolarHBondContact OG1-N 3.43Å; L166-V168 VanDerWaalsContact C-N 3.35Å; L166-V168 PolarHBondContact O-N 3.19Å; V168-Q171 PolarHBondContact O-N 2.99Å; V168-R172 VanDerWaalsContact O-CG 3.28Å; V168-R172 WeakPolarHBondContact O-CG 3.48Å; V168-R172 PolarHBondContact O-N 3.36Å
169	C	93.6	Very high	92.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-44.3	176	-67.4	0	0	0	0	112.1	S65 T165 L166 R172 D173 Y178	S65-C169 VanDerWaalsContact O-CB 3.29Å; S65-C169 WeakPolarHBondContact O-CB 3.16Å; T165-C169 PolarHBondContact O-N 3.24Å; T165-C169 PolarHBondContact O-SG 3.29Å; L166-C169 WeakPolarHBondContact O-CB 3.43Å; L166-C169 PolarHBondContact O-N 2.88Å; L166-C169 VanDerWaalsContact O-N 3.16Å; C169-R172 PolarHBondContact O-N 3.37Å; C169-D173 PolarHBondContact O-N 3.46Å; C169-Y178 HydrophobicContact CB-CE2 3.94Å
170	E	93.1	Very high	92.4	Very high	55 Å²	55	63.2 Å²	63.2	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-37.5	175.2	-77.2	-166.5	-142.1	0	0	112.1	L166 E167 D173 Y178 R182 I192	L166-E170 HydrophobicContact CD1-CG 4.13Å; L166-E170 HydrophobicContact CG-CG 4.33Å; L166-E170 WeakPolarHBondContact CG-OE1 3.4Å; L166-E170 WeakPolarHBondContact O-CB 3.49Å; L166-E170 WeakPolarHBondContact O-CG 3.32Å; L166-E170 PolarHBondContact O-N 2.83Å; E167-E170 PolarHBondContact O-N 3.29Å; E170-D173 WeakPolarHBondContact O-CB 3.12Å; E170-Y178 HydrophobicContact CB-CG 4.4Å; E170-Y178 HydrophobicContact CG-CD1 3.42Å; E170-Y178 VanDerWaalsContact CG-CD1 3.42Å; E170-Y178 HydrophobicContact CG-CD2 4.31Å; E170-Y178 HydrophobicContact CG-CE1 3.88Å; E170-Y178 HydrophobicContact CG-CG 3.65Å; E170-R182 IonicContact OE1-CZ 3.86Å; E170-R182 IonicContact OE1-NE 3.25Å; E170-R182 PolarHBondContact OE1-NE 2.95Å; E170-R182 IonicContact OE1-NH2 3.49Å; E170-R182 PolarHBondContact OE1-NH2 3.19Å; E170-R182 IonicContact OE2-CZ 3.46Å; E170-R182 IonicContact OE2-NE 2.74Å; E170-R182 PolarHBondContact OE2-NE 3.36Å; E170-R182 IonicContact OE2-NH2 3.66Å; E170-I192 VanDerWaalsContact OE1-CD1 3.25Å; E170-I192 WeakPolarHBondContact OE1-CD1 3.13Å
171	Q	92.6	Very high	92	Very high	168 Å²	168	63.4 Å²	63.4	79%	0.785	31%	0.312	S	S	*	.	H	α-helix	trans	-65	-40	175.6	-174.4	-175.8	9.3	0	0	111.9	E167 V168	E167-Q171 WeakPolarHBondContact O-CB 3.45Å; E167-Q171 PolarHBondContact O-N 2.94Å; V168-Q171 PolarHBondContact O-N 2.99Å
172	R	91.4	Very high	91.6	Very high	111 Å²	111	69.7 Å²	69.7	42%	0.419	34%	0.335	S	S	.	.	H	α-helix	trans	-71.9	-43.2	-180	-72	171.4	-179.6	-179.5	0.2	112.3	A67 V168 C169 P174 A208	A67-R172 PolarHBondContact O-NH1 3.42Å; V168-R172 VanDerWaalsContact O-CG 3.28Å; V168-R172 WeakPolarHBondContact O-CG 3.48Å; V168-R172 PolarHBondContact O-N 3.36Å; C169-R172 PolarHBondContact O-N 3.37Å; R172-P174 VanDerWaalsContact C-CD 3.46Å; R172-P174 VanDerWaalsContact C-N 3.31Å; R172-P174 WeakPolarHBondContact O-CD 3.41Å; R172-A208 PolarHBondContact NH1-O 3.03Å; R172-A208 PolarHBondContact NH2-O 2.91Å
173	D	89.8	Confident	91.3	Very high	24 Å²	24	72.7 Å²	72.7	13%	0.128	36%	0.36	C	S	.	.			trans	18.3	60	-176.9	-162.2	15.9	0	0	0	116.1	C169 E170 K175 Q176 L177 Y178 K179	C169-D173 PolarHBondContact O-N 3.46Å; E170-D173 WeakPolarHBondContact O-CB 3.12Å; D173-K175 PolarHBondContact O-N 3.14Å; D173-Q176 PolarHBondContact O-N 2.91Å; D173-Q176 WeakPolarHBondContact OD1-CA 3.42Å; D173-Q176 PolarHBondContact OD1-N 3.03Å; D173-Q176 VanDerWaalsContact OD2-C 3.24Å; D173-Q176 WeakPolarHBondContact OD2-CA 3.42Å; D173-L177 PolarHBondContact OD1-N 3.3Å; D173-L177 PolarHBondContact OD2-N 3.33Å; D173-Y178 HydrophobicContact CB-CD2 4.31Å; D173-Y178 PolarHBondContact OD1-N 2.84Å; D173-Y178 PolarHBondContact OD2-N 3.29Å; D173-K179 PolarHBondContact OD2-N 3.02Å
174	P	85.8	Confident	90.9	Very high	98 Å²	98	72.8 Å²	72.8	64%	0.636	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.3	-166.7	25.4	-35.5	0	0	0	113.3	R172	R172-P174 VanDerWaalsContact C-CD 3.46Å; R172-P174 VanDerWaalsContact C-N 3.31Å; R172-P174 WeakPolarHBondContact O-CD 3.41Å
175	K	86.3	Confident	90.6	Very high	104 Å²	104	79 Å²	79	45%	0.452	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	6.3	179.8	-64.8	-178.7	-176.5	177.3	0	112.7	D93 D173 L177	D93-K175 IonicContact OD1-NZ 3.61Å; D93-K175 IonicContact OD2-NZ 2.66Å; D93-K175 PolarHBondContact OD2-NZ 3.38Å; D173-K175 PolarHBondContact O-N 3.14Å; K175-L177 HydrophobicContact CB-CD1 3.87Å; K175-L177 HydrophobicContact CB-CD2 4.49Å; K175-L177 HydrophobicContact CB-CG 3.69Å; K175-L177 HydrophobicContact CD-CD1 4.18Å; K175-L177 PolarHBondContact O-N 3.46Å
176	Q	90.4	Very high	90.2	Very high	119 Å²	119	77.6 Å²	77.6	56%	0.556	39%	0.386	S	S	*	.	S	Bend	trans	55	30	-175.8	-56	-177	8.5	0	0	113.7	D173 K180	D173-Q176 PolarHBondContact O-N 2.91Å; D173-Q176 WeakPolarHBondContact OD1-CA 3.42Å; D173-Q176 PolarHBondContact OD1-N 3.03Å; D173-Q176 VanDerWaalsContact OD2-C 3.24Å; D173-Q176 WeakPolarHBondContact OD2-CA 3.42Å; Q176-K180 VanDerWaalsContact O-CG 3.26Å; Q176-K180 WeakPolarHBondContact O-CG 3.49Å; Q176-K180 PolarHBondContact O-N 3.47Å
177	L	90.3	Very high	89.7	Confident	45 Å²	45	82.5 Å²	82.5	24%	0.236	41%	0.412	C	S	.	.	H	α-helix	trans	-81.9	-37.3	-176.1	-63.9	176.4	0	0	0	111.3	D173 K175 K180 A181 I186 F189	D173-L177 PolarHBondContact OD1-N 3.3Å; D173-L177 PolarHBondContact OD2-N 3.33Å; K175-L177 HydrophobicContact CB-CD1 3.87Å; K175-L177 HydrophobicContact CB-CD2 4.49Å; K175-L177 HydrophobicContact CB-CG 3.69Å; K175-L177 HydrophobicContact CD-CD1 4.18Å; K175-L177 PolarHBondContact O-N 3.46Å; L177-K180 PolarHBondContact O-N 2.82Å; L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.36Å; L177-I186 HydrophobicContact CD2-CD1 3.87Å; L177-F189 HydrophobicContact CB-CE2 3.9Å; L177-F189 HydrophobicContact CB-CZ 3.67Å; L177-F189 HydrophobicContact CD1-CE2 4.22Å; L177-F189 HydrophobicContact CD1-CZ 4.34Å
178	Y	91.5	Very high	89.1	Confident	3 Å²	3	77.5 Å²	77.5	1%	0.012	40%	0.395	C	S	.	.	H	α-helix	trans	-65.5	-42.9	176.1	-76.2	-77	0	0	0	111.2	S65 L166 C169 E170 D173 K180 A181 R182 F189 I192	S65-Y178 VanDerWaalsContact O-CE2 3.29Å; S65-Y178 WeakPolarHBondContact O-CE2 3.46Å; S65-Y178 PolarHBondContact O-OH 2.99Å; L166-Y178 HydrophobicContact CD1-CD1 4.39Å; L166-Y178 HydrophobicContact CD1-CE1 3.51Å; C169-Y178 HydrophobicContact CB-CE2 3.94Å; E170-Y178 HydrophobicContact CB-CG 4.4Å; E170-Y178 HydrophobicContact CG-CD1 3.42Å; E170-Y178 VanDerWaalsContact CG-CD1 3.42Å; E170-Y178 HydrophobicContact CG-CD2 4.31Å; E170-Y178 HydrophobicContact CG-CE1 3.88Å; E170-Y178 HydrophobicContact CG-CG 3.65Å; D173-Y178 HydrophobicContact CB-CD2 4.31Å; D173-Y178 PolarHBondContact OD1-N 2.84Å; D173-Y178 PolarHBondContact OD2-N 3.29Å; Y178-K180 VanDerWaalsContact C-N 3.29Å; Y178-K180 PolarHBondContact O-N 3.32Å; Y178-A181 PolarHBondContact O-N 2.91Å; Y178-R182 WeakPolarHBondContact O-CB 3.45Å; Y178-R182 WeakPolarHBondContact O-CG 3Å; Y178-R182 PolarHBondContact O-N 2.89Å; Y178-F189 HydrophobicContact CD1-CD1 4.17Å; Y178-F189 AromaticContact CD1-CE1 3.64Å; Y178-F189 HydrophobicContact CD1-CE1 3.64Å; Y178-F189 HydrophobicContact CD2-CE1 4.32Å; Y178-F189 HydrophobicContact CE1-CD1 4.15Å; Y178-F189 AromaticContact CE1-CE1 3.54Å; Y178-F189 HydrophobicContact CE1-CE1 3.54Å; Y178-F189 HydrophobicContact CE2-CE1 4.22Å; Y178-F189 HydrophobicContact CG-CE1 4.05Å; Y178-F189 AromaticContact CZ-CE1 3.84Å; Y178-I192 HydrophobicContact CD1-CD1 3.96Å; Y178-I192 HydrophobicContact CD1-CG1 4.01Å; Y178-I192 HydrophobicContact CE1-CD1 4.25Å; Y178-I192 HydrophobicContact CE1-CG1 4.25Å
179	K	91.1	Very high	88.8	Confident	150 Å²	150	76.7 Å²	76.7	65%	0.652	39%	0.389	S	S	*	.	H	α-helix	trans	-56.8	-42.7	173.8	-173.6	177.1	-179.8	179.6	0	112.3	D173 A183	D173-K179 PolarHBondContact OD2-N 3.02Å; K179-A183 WeakPolarHBondContact O-CB 3.43Å; K179-A183 PolarHBondContact O-N 2.92Å; K179-A183 VanDerWaalsContact O-N 3.16Å
180	K	90	Very high	88.4	Confident	87 Å²	87	77 Å²	77	38%	0.378	39%	0.391	S	S	.	.	H	α-helix	trans	-69.6	-40.3	177.7	-72.5	175	-178.7	176.4	0	112.4	Q176 L177 Y178 A183 G184 Q185 I186	Q176-K180 VanDerWaalsContact O-CG 3.26Å; Q176-K180 WeakPolarHBondContact O-CG 3.49Å; Q176-K180 PolarHBondContact O-N 3.47Å; L177-K180 PolarHBondContact O-N 2.82Å; Y178-K180 VanDerWaalsContact C-N 3.29Å; Y178-K180 PolarHBondContact O-N 3.32Å; K180-A183 CarbonylContact O-C 3.6Å; K180-A183 PolarHBondContact O-N 2.85Å; K180-G184 PolarHBondContact O-N 3.14Å; K180-Q185 HydrophobicContact CB-CB 4.3Å; K180-Q185 WeakPolarHBondContact O-CB 3.23Å; K180-Q185 PolarHBondContact O-N 3.17Å; K180-I186 HydrophobicContact CB-CD1 3.65Å; K180-I186 HydrophobicContact CB-CG1 3.96Å; K180-I186 HydrophobicContact CD-CD1 4.19Å
181	A	90.1	Very high	87.9	Confident	4 Å²	4	75.5 Å²	75.5	3%	0.033	39%	0.39	C	S	.	.	H	α-helix	trans	-63.3	-48.1	175.8	0	0	0	0	0	111.5	L177 Y178 A183 G184 I186 F189 I192	L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.36Å; Y178-A181 PolarHBondContact O-N 2.91Å; A181-A183 PolarHBondContact O-N 3.5Å; A181-G184 PolarHBondContact O-N 2.85Å; A181-I186 HydrophobicContact CB-CB 4.4Å; A181-F189 HydrophobicContact CB-CB 3.81Å; A181-F189 HydrophobicContact CB-CD1 3.89Å; A181-F189 HydrophobicContact CB-CG 3.92Å; A181-I192 HydrophobicContact CB-CG1 4.28Å
182	R	90.6	Very high	87.7	Confident	151 Å²	151	69.3 Å²	69.3	57%	0.57	36%	0.362	S	S	*	.	H	α-helix	trans	-60.5	-27.8	175.1	-68.9	-68.4	-170.2	-169.5	-3.3	113.1	E170 Y178 G184 I192	E170-R182 IonicContact OE1-CZ 3.86Å; E170-R182 IonicContact OE1-NE 3.25Å; E170-R182 PolarHBondContact OE1-NE 2.95Å; E170-R182 IonicContact OE1-NH2 3.49Å; E170-R182 PolarHBondContact OE1-NH2 3.19Å; E170-R182 IonicContact OE2-CZ 3.46Å; E170-R182 IonicContact OE2-NE 2.74Å; E170-R182 PolarHBondContact OE2-NE 3.36Å; E170-R182 IonicContact OE2-NH2 3.66Å; Y178-R182 WeakPolarHBondContact O-CB 3.45Å; Y178-R182 WeakPolarHBondContact O-CG 3Å; Y178-R182 PolarHBondContact O-N 2.89Å; R182-G184 VanDerWaalsContact C-N 3.28Å; R182-I192 VanDerWaalsContact CZ-CD1 3.49Å
183	A	90.6	Very high	87.3	Confident	64 Å²	64	68.6 Å²	68.6	53%	0.529	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.4	173.7	0	0	0	0	0	114.1	K179 K180 A181 Q185	K179-A183 WeakPolarHBondContact O-CB 3.43Å; K179-A183 PolarHBondContact O-N 2.92Å; K179-A183 VanDerWaalsContact O-N 3.16Å; K180-A183 CarbonylContact O-C 3.6Å; K180-A183 PolarHBondContact O-N 2.85Å; A181-A183 PolarHBondContact O-N 3.5Å; A183-Q185 VanDerWaalsContact C-N 3.25Å; A183-Q185 HydrophobicContact CB-CG 4.18Å; A183-Q185 PolarHBondContact O-N 3.41Å
184	G	86.8	Confident	87.1	Confident	51 Å²	51	68.6 Å²	68.6	53%	0.526	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	11.7	-179.3	0	0	0	0	0	114.8	K180 A181 R182	K180-G184 PolarHBondContact O-N 3.14Å; A181-G184 PolarHBondContact O-N 2.85Å; R182-G184 VanDerWaalsContact C-N 3.28Å
185	Q	88.3	Confident	87.1	Confident	140 Å²	140	66.9 Å²	66.9	65%	0.654	36%	0.362	S	S	*	.	S	Bend	trans	-84.7	-18	-177.7	-59.7	178.2	-1.9	0	0	112.9	K180 A183	K180-Q185 HydrophobicContact CB-CB 4.3Å; K180-Q185 WeakPolarHBondContact O-CB 3.23Å; K180-Q185 PolarHBondContact O-N 3.17Å; A183-Q185 VanDerWaalsContact C-N 3.25Å; A183-Q185 HydrophobicContact CB-CG 4.18Å; A183-Q185 PolarHBondContact O-N 3.41Å
186	I	84.4	Confident	87.4	Confident	48 Å²	48	63.6 Å²	63.6	25%	0.246	35%	0.347	C	S	.	.	S	Bend	trans	-127.5	113.7	176	-58.4	175.6	0	0	0	107.3	L177 K180 A181 F189	L177-I186 HydrophobicContact CD2-CD1 3.87Å; K180-I186 HydrophobicContact CB-CD1 3.65Å; K180-I186 HydrophobicContact CB-CG1 3.96Å; K180-I186 HydrophobicContact CD-CD1 4.19Å; A181-I186 HydrophobicContact CB-CB 4.4Å; I186-F189 HydrophobicContact CG2-CB 4.17Å; I186-F189 HydrophobicContact CG2-CD2 4Å; I186-F189 HydrophobicContact CG2-CG 4.46Å
187	L	82.5	Confident	87.6	Confident	143 Å²	143	61.4 Å²	61.4	75%	0.749	34%	0.337	S	S	*	.	S	Bend	trans	-90.4	147.6	178.3	-61.1	174.8	0	0	0	111	F189	L187-F189 VanDerWaalsContact C-N 3.32Å; L187-F189 PolarHBondContact O-N 2.9Å
188	G	78.9	Confident	87.8	Confident	25 Å²	25	62.9 Å²	62.9	26%	0.258	35%	0.349	S	S	.	.	S	Bend	trans	67.4	31.5	176.3	0	0	0	0	0	113.5	R110 S194	R110-G188 PolarHBondContact NH1-O 3.27Å; R110-G188 PolarHBondContact NH2-O 3.36Å; G188-S194 WeakPolarHBondContact O-CB 3.49Å
189	F	86.6	Confident	87.9	Confident	20 Å²	20	63.3 Å²	63.3	9%	0.088	35%	0.352	C	S	.	.			trans	-76.3	125.9	178.4	-165.5	-108.1	0	0	0	110.6	L177 Y178 A181 I186 L187 G191 I192 D193 S194	L177-F189 HydrophobicContact CB-CE2 3.9Å; L177-F189 HydrophobicContact CB-CZ 3.67Å; L177-F189 HydrophobicContact CD1-CE2 4.22Å; L177-F189 HydrophobicContact CD1-CZ 4.34Å; Y178-F189 HydrophobicContact CD1-CD1 4.17Å; Y178-F189 AromaticContact CD1-CE1 3.64Å; Y178-F189 HydrophobicContact CD1-CE1 3.64Å; Y178-F189 HydrophobicContact CD2-CE1 4.32Å; Y178-F189 HydrophobicContact CE1-CD1 4.15Å; Y178-F189 AromaticContact CE1-CE1 3.54Å; Y178-F189 HydrophobicContact CE1-CE1 3.54Å; Y178-F189 HydrophobicContact CE2-CE1 4.22Å; Y178-F189 HydrophobicContact CG-CE1 4.05Å; Y178-F189 AromaticContact CZ-CE1 3.84Å; A181-F189 HydrophobicContact CB-CB 3.81Å; A181-F189 HydrophobicContact CB-CD1 3.89Å; A181-F189 HydrophobicContact CB-CG 3.92Å; I186-F189 HydrophobicContact CG2-CB 4.17Å; I186-F189 HydrophobicContact CG2-CD2 4Å; I186-F189 HydrophobicContact CG2-CG 4.46Å; L187-F189 VanDerWaalsContact C-N 3.32Å; L187-F189 PolarHBondContact O-N 2.9Å; F189-G191 PolarHBondContact O-N 2.88Å; F189-I192 HydrophobicContact CD1-CG1 3.96Å; F189-I192 PolarHBondContact O-N 3.06Å; F189-D193 PolarHBondContact O-N 3.26Å; F189-S194 PolarHBondContact O-N 3.45Å; F189-S194 VanDerWaalsContact O-N 3.14Å
190	T	85.5	Confident	88	Confident	8 Å²	8	63 Å²	63	5%	0.049	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-58.4	127	-179.5	-60.4	0	0	0	0	111.5	L64 I136 P138 S194 Y196	L64-T190 HydrophobicContact CD2-CG2 4.17Å; I136-T190 HydrophobicContact CG2-CG2 3.8Å; P138-T190 HydrophobicContact CB-CG2 3.72Å; T190-S194 CarbonylContact C-O 3.39Å; T190-S194 WeakPolarHBondContact CA-O 3.48Å; T190-Y196 HydrophobicContact CG2-CD2 4.07Å; T190-Y196 HydrophobicContact CG2-CG 4.35Å
191	G	83.1	Confident	88.1	Confident	22 Å²	22	65.1 Å²	65.1	23%	0.227	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-12.4	-177	0	0	0	0	0	114.5	L166 F189 S194	L166-G191 WeakPolarHBondContact CD2-O 3.42Å; F189-G191 PolarHBondContact O-N 2.88Å; G191-S194 PolarHBondContact N-O 3.07Å
192	I	87.7	Confident	88.4	Confident	38 Å²	38	65.8 Å²	65.8	20%	0.195	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-72.4	175.1	-54	-60.9	0	0	0	110	L166 E170 Y178 A181 R182 F189	L166-I192 HydrophobicContact CD1-CD1 4.39Å; E170-I192 VanDerWaalsContact OE1-CD1 3.25Å; E170-I192 WeakPolarHBondContact OE1-CD1 3.13Å; Y178-I192 HydrophobicContact CD1-CD1 3.96Å; Y178-I192 HydrophobicContact CD1-CG1 4.01Å; Y178-I192 HydrophobicContact CE1-CD1 4.25Å; Y178-I192 HydrophobicContact CE1-CG1 4.25Å; A181-I192 HydrophobicContact CB-CG1 4.28Å; R182-I192 VanDerWaalsContact CZ-CD1 3.49Å; F189-I192 HydrophobicContact CD1-CG1 3.96Å; F189-I192 PolarHBondContact O-N 3.06Å
193	D	83.1	Confident	88.7	Confident	97 Å²	97	61.9 Å²	61.9	52%	0.519	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-4.6	-175.6	-49.7	-57.5	0	0	0	112.9	F189	F189-D193 PolarHBondContact O-N 3.26Å
194	S	85.1	Confident	89	Confident	24 Å²	24	59.4 Å²	59.4	17%	0.168	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-129.6	140.3	173.9	177.9	0	0	0	0	109.3	G188 F189 T190 G191	G188-S194 WeakPolarHBondContact O-CB 3.49Å; F189-S194 PolarHBondContact O-N 3.45Å; F189-S194 VanDerWaalsContact O-N 3.14Å; T190-S194 CarbonylContact C-O 3.39Å; T190-S194 WeakPolarHBondContact CA-O 3.48Å; G191-S194 PolarHBondContact N-O 3.07Å
195	A	87.1	Confident	89.5	Confident	62 Å²	62	62 Å²	62	51%	0.512	34%	0.341	S	S	.	.			trans	-66.5	151.4	178.5	0	0	0	0	0	112.1
196	Y	92.8	Very high	89.9	Confident	35 Å²	35	55.3 Å²	55.3	14%	0.137	31%	0.31	C	S	.	.			trans	-111.5	126.5	158.9	178.5	-103.2	0	0	0	106.4	T62 G63 L64 P138 H161 T190 P198	T62-Y196 PolarHBondContact OG1-OH 3.4Å; G63-Y196 VanDerWaalsContact CA-OH 3.31Å; G63-Y196 WeakPolarHBondContact CA-OH 3.42Å; G63-Y196 PolarHBondContact N-OH 2.97Å; G63-Y196 VanDerWaalsContact N-OH 3.14Å; L64-Y196 HydrophobicContact CD2-CD1 4.25Å; L64-Y196 HydrophobicContact CD2-CD2 4.33Å; L64-Y196 HydrophobicContact CD2-CG 3.81Å; L64-Y196 HydrophobicContact CG-CD1 4.5Å; L64-Y196 HydrophobicContact CG-CG 4.47Å; P138-Y196 HydrophobicContact CB-CD2 3.99Å; H161-Y196 PolarHBondContact CD2-OH 2.83Å; H161-Y196 AromaticContact NE2-CE1 3.77Å; T190-Y196 HydrophobicContact CG2-CD2 4.07Å; T190-Y196 HydrophobicContact CG2-CG 4.35Å; Y196-P198 HydrophobicContact CD1-CG 4.09Å; Y196-P198 HydrophobicContact CE1-CB 4.2Å; Y196-P198 HydrophobicContact CE1-CG 4.14Å; Y196-P198 WeakPolarHBondContact O-CD 3.27Å
197	E	94.2	Very high	90.4	Very high	73 Å²	73	55.2 Å²	55.2	34%	0.341	31%	0.31	S	S	.	.			trans	-100.6	102.4	177.9	-65.9	165.2	-175.2	0	0	107.5	P138 F139 Q140 R143	P138-E197 WeakPolarHBondContact O-CB 3.32Å; P138-E197 PolarHBondContact O-N 2.94Å; F139-E197 WeakPolarHBondContact CA-OE2 3.39Å; Q140-E197 HydrophobicContact CB-CB 4.38Å; Q140-E197 PolarHBondContact N-OE2 3.31Å; R143-E197 VanDerWaalsContact CZ-O 3.31Å; R143-E197 PolarHBondContact NH1-O 3.27Å; R143-E197 PolarHBondContact NH2-O 3.39Å
198	P	93.3	Very high	90.7	Very high	75 Å²	75	49 Å²	49	49%	0.487	28%	0.279	S	S	.	.			trans	-59	140.8	179	-21.2	33.7	0	0	0	110.6	Y196 E200	Y196-P198 HydrophobicContact CD1-CG 4.09Å; Y196-P198 HydrophobicContact CE1-CB 4.2Å; Y196-P198 HydrophobicContact CE1-CG 4.14Å; Y196-P198 WeakPolarHBondContact O-CD 3.27Å; P198-E200 PolarHBondContact O-N 3.05Å
199	P	94.3	Very high	91	Very high	13 Å²	13	49.4 Å²	49.4	8%	0.084	28%	0.284	C	S	.	.			trans	-66.5	130.5	178	27.3	-34.3	0	0	0	111.2	T62 E159 H161 A202	T62-P199 HydrophobicContact CG2-CG 4.04Å; E159-P199 HydrophobicContact CG-CB 4.47Å; E159-P199 WeakPolarHBondContact OE1-CB 3.29Å; H161-P199 HydrophobicContact CB-CG 3.53Å; P199-A202 HydrophobicContact CB-CB 4.1Å; P199-A202 HydrophobicContact CG-CB 3.87Å
200	E	92.1	Very high	91	Very high	142 Å²	142	56.6 Å²	56.6	66%	0.664	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-33.2	179.5	-63	177.8	148.8	0	0	112.4	Q140 P198	Q140-E200 PolarHBondContact NE2-OE2 3.14Å; P198-E200 PolarHBondContact O-N 3.05Å
201	N	92.8	Very high	91.1	Very high	132 Å²	132	58 Å²	58	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	50.2	-173	-61.4	-64.9	0	0	0	111.9
202	A	96	Very high	91.1	Very high	19 Å²	19	58.8 Å²	58.8	16%	0.157	33%	0.33	C	S	.	.			trans	-66.4	137.7	173.8	0	0	0	0	0	110.9	E159 H161 P199 I204 I205	E159-A202 HydrophobicContact CG-CB 4.41Å; H161-A202 HydrophobicContact CB-CB 3.93Å; P199-A202 HydrophobicContact CB-CB 4.1Å; P199-A202 HydrophobicContact CG-CB 3.87Å; A202-I204 PolarHBondContact O-N 3.23Å; A202-I205 HydrophobicContact CB-CG1 4.31Å
203	E	97.8	Very high	90.9	Very high	68 Å²	68	59.7 Å²	59.7	32%	0.318	34%	0.337	S	S	.	.	S	Bend	trans	-62.8	-31.7	173.7	-78.2	75.5	-161.6	0	0	112.4	R147 I158 E159 H223	R147-E203 IonicContact CZ-OE1 2.79Å; R147-E203 IonicContact CZ-OE2 3.75Å; R147-E203 IonicContact NH1-OE1 2.77Å; R147-E203 PolarHBondContact NH1-OE1 3.02Å; R147-E203 IonicContact NH1-OE2 3.71Å; R147-E203 PolarHBondContact NH1-OE2 3.15Å; R147-E203 IonicContact NH2-OE1 2.59Å; R147-E203 PolarHBondContact NH2-OE1 2.81Å; R147-E203 IonicContact NH2-OE2 2.76Å; R147-E203 PolarHBondContact NH2-OE2 3.37Å; I158-E203 HydrophobicContact CG2-CB 3.87Å; I158-E203 HydrophobicContact CG2-CG 4.49Å; E159-E203 WeakPolarHBondContact CB-OE2 3.47Å; E159-E203 PolarHBondContact N-OE2 3.17Å; E159-E203 PolarHBondContact O-N 3.21Å; E159-E203 VanDerWaalsContact O-N 3.11Å; E203-H223 PolarHBondContact O-CE1 3.35Å
204	I	97.8	Very high	90.6	Very high	12 Å²	12	61 Å²	61	6%	0.062	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133	-178.8	-50	-179.4	0	0	0	109.9	I158 E159 V160 H161 A202 L206 V220 H223	I158-I204 HydrophobicContact CG2-CD1 3.84Å; I158-I204 HydrophobicContact CG2-CG1 4.08Å; E159-I204 PolarHBondContact O-N 2.8Å; V160-I204 CarbonylContact C-O 3.25Å; V160-I204 WeakPolarHBondContact CA-O 3.28Å; V160-I204 HydrophobicContact CB-CB 4.46Å; V160-I204 HydrophobicContact CG1-CB 4.16Å; V160-I204 HydrophobicContact CG1-CG2 4.2Å; V160-I204 HydrophobicContact CG2-CB 4.12Å; V160-I204 HydrophobicContact CG2-CD1 4.09Å; V160-I204 HydrophobicContact CG2-CG1 4.42Å; H161-I204 PolarHBondContact N-O 2.98Å; A202-I204 PolarHBondContact O-N 3.23Å; I204-L206 HydrophobicContact CG2-CD2 3.74Å; I204-L206 HydrophobicContact CG2-CG 4.09Å; I204-V220 HydrophobicContact CD1-CB 4.35Å; I204-V220 HydrophobicContact CD1-CG1 4.2Å; I204-V220 HydrophobicContact CD1-CG2 4.16Å; I204-V220 HydrophobicContact CG2-CG2 4.47Å; I204-H223 HydrophobicContact CD1-CB 3.53Å; I204-H223 HydrophobicContact CG1-CB 4.05Å
205	I	97.3	Very high	90.3	Very high	105 Å²	105	65.1 Å²	65.1	54%	0.538	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.5	172.3	-55.6	175.2	0	0	0	108.7	H161 A202	H161-I205 HydrophobicContact CB-CG1 4.41Å; A202-I205 HydrophobicContact CB-CG1 4.31Å
206	L	96.4	Very high	90.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.3	-179.8	-57.9	-180	0	0	0	110	F61 I72 V160 H161 V162 S163 I204 A208 C216 K219 V220	F61-L206 HydrophobicContact CE1-CD1 4.46Å; I72-L206 HydrophobicContact CD1-CD1 4.13Å; I72-L206 HydrophobicContact CG2-CD1 4.08Å; V160-L206 HydrophobicContact CG1-CD1 3.45Å; V160-L206 VanDerWaalsContact CG1-CD1 3.45Å; V160-L206 HydrophobicContact CG1-CG 3.78Å; H161-L206 PolarHBondContact O-N 3.38Å; V162-L206 CarbonylContact C-O 3.6Å; S163-L206 PolarHBondContact N-O 3.2Å; I204-L206 HydrophobicContact CG2-CD2 3.74Å; I204-L206 HydrophobicContact CG2-CG 4.09Å; L206-A208 PolarHBondContact O-N 3.09Å; L206-C216 HydrophobicContact CD1-CB 4.13Å; L206-C216 HydrophobicContact CD2-CB 4.32Å; L206-K219 HydrophobicContact CD2-CB 3.93Å; L206-K219 HydrophobicContact CD2-CD 3.98Å; L206-V220 HydrophobicContact CD1-CG2 4.14Å; L206-V220 HydrophobicContact CD2-CG2 4.5Å
207	D	93.1	Very high	90.2	Very high	47 Å²	47	60.7 Å²	60.7	25%	0.251	33%	0.326	S	S	.	.			trans	-89.3	74.4	173.7	-171.6	-18.8	0	0	0	109.2	G209 K210 D211	D207-G209 PolarHBondContact O-N 3.42Å; D207-G209 PolarHBondContact OD1-N 3.5Å; D207-K210 PolarHBondContact O-N 3.4Å; D207-K210 PolarHBondContact OD1-N 3.49Å; D207-K210 VanDerWaalsContact OD2-CD 3.29Å; D207-K210 WeakPolarHBondContact OD2-CD 3.38Å; D207-K210 WeakPolarHBondContact OD2-CE 3.49Å; D207-K210 IonicContact OD2-NZ 3.48Å; D207-K210 PolarHBondContact OD2-NZ 2.79Å; D207-D211 WeakPolarHBondContact O-CB 3.26Å; D207-D211 PolarHBondContact O-N 2.52Å
208	A	89.1	Confident	89.7	Confident	11 Å²	11	61 Å²	61	9%	0.091	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	2.2	-178.9	0	0	0	0	0	113.6	A67 I72 V162 R172 L206	A67-A208 WeakPolarHBondContact O-CB 3.06Å; I72-A208 HydrophobicContact CD1-CB 4.03Å; V162-A208 HydrophobicContact CG1-CB 3.78Å; R172-A208 PolarHBondContact NH1-O 3.03Å; R172-A208 PolarHBondContact NH2-O 2.91Å; L206-A208 PolarHBondContact O-N 3.09Å
209	G	86.1	Confident	89.7	Confident	35 Å²	35	61.4 Å²	61.4	36%	0.361	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-29.2	166.5	0	0	0	0	0	112.8	D207	D207-G209 PolarHBondContact O-N 3.42Å; D207-G209 PolarHBondContact OD1-N 3.5Å
210	K	87.4	Confident	89.7	Confident	170 Å²	170	60.8 Å²	60.8	74%	0.739	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-40.3	-178.9	-61.2	-174.7	-166.6	124	0	113.5	D207	D207-K210 PolarHBondContact O-N 3.4Å; D207-K210 PolarHBondContact OD1-N 3.49Å; D207-K210 VanDerWaalsContact OD2-CD 3.29Å; D207-K210 WeakPolarHBondContact OD2-CD 3.38Å; D207-K210 WeakPolarHBondContact OD2-CE 3.49Å; D207-K210 IonicContact OD2-NZ 3.48Å; D207-K210 PolarHBondContact OD2-NZ 2.79Å
211	D	87.6	Confident	89.6	Confident	39 Å²	39	54.2 Å²	54.2	21%	0.209	29%	0.288	C	S	.	.	S	Bend	trans	-81	143.2	-176.8	-64.9	-32.4	0	0	0	111.4	D207 Q215 K219	D207-D211 WeakPolarHBondContact O-CB 3.26Å; D207-D211 PolarHBondContact O-N 2.52Å; D211-Q215 HydrophobicContact CB-CB 4.31Å; D211-K219 IonicContact OD1-NZ 3.59Å; D211-K219 IonicContact OD2-NZ 2.71Å; D211-K219 PolarHBondContact OD2-NZ 2.75Å
212	G	82.8	Confident	89.4	Confident	37 Å²	37	51.7 Å²	51.7	38%	0.381	27%	0.274	S	S	.	.			trans	-70.2	159.6	167.2	0	0	0	0	0	112.1	Q214 Q215 C216	G212-Q214 VanDerWaalsContact C-N 3.31Å; G212-Q214 PolarHBondContact O-N 3.25Å; G212-Q215 WeakPolarHBondContact O-CB 3.47Å; G212-Q215 PolarHBondContact O-N 3.39Å; G212-Q215 VanDerWaalsContact O-N 3.13Å; G212-C216 PolarHBondContact O-N 2.85Å
213	V	83.1	Confident	89.3	Confident	57 Å²	57	52.3 Å²	52.3	35%	0.345	27%	0.274	S	S	.	.	H	α-helix	trans	-55.7	-44.5	-179.5	176.2	0	0	0	0	112	T71 A75 Q215 C216 V217	T71-V213 HydrophobicContact CG2-CG1 4.37Å; T71-V213 HydrophobicContact CG2-CG2 3.82Å; A75-V213 HydrophobicContact CB-CG1 3.49Å; A75-V213 VanDerWaalsContact CB-CG1 3.49Å; V213-Q215 VanDerWaalsContact C-N 3.35Å; V213-Q215 PolarHBondContact O-N 3.07Å; V213-C216 WeakPolarHBondContact O-CB 3.27Å; V213-C216 PolarHBondContact O-N 2.95Å; V213-V217 HydrophobicContact CG1-CG2 4.48Å; V213-V217 WeakPolarHBondContact O-CG2 3.5Å; V213-V217 PolarHBondContact O-N 2.99Å
214	Q	77.3	Confident	89	Confident	125 Å²	125	49.1 Å²	49.1	58%	0.584	26%	0.259	S	S	*	.	H	α-helix	trans	-66.8	-35.2	-179.8	-65	-56.5	-29.4	0	0	112.8	G212 C216 V217 Q218	G212-Q214 VanDerWaalsContact C-N 3.31Å; G212-Q214 PolarHBondContact O-N 3.25Å; Q214-C216 VanDerWaalsContact C-N 3.32Å; Q214-C216 PolarHBondContact O-N 3.29Å; Q214-V217 PolarHBondContact O-N 3.17Å; Q214-Q218 PolarHBondContact O-N 3.4Å
215	Q	77.3	Confident	88.5	Confident	111 Å²	111	50.9 Å²	50.9	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-39	174.3	-66.5	172.9	-48.1	0	0	111.2	D211 G212 V213 Q218 K219	D211-Q215 HydrophobicContact CB-CB 4.31Å; G212-Q215 WeakPolarHBondContact O-CB 3.47Å; G212-Q215 PolarHBondContact O-N 3.39Å; G212-Q215 VanDerWaalsContact O-N 3.13Å; V213-Q215 VanDerWaalsContact C-N 3.35Å; V213-Q215 PolarHBondContact O-N 3.07Å; Q215-Q218 PolarHBondContact O-N 3.14Å; Q215-K219 WeakPolarHBondContact O-CG 3.43Å; Q215-K219 PolarHBondContact O-N 2.83Å; Q215-K219 VanDerWaalsContact O-N 3.13Å
216	C	90	Very high	88.1	Confident	1 Å²	1	50 Å²	50	1%	0.007	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-43.2	173.3	-69.7	0	0	0	0	112	I72 L206 G212 V213 Q214 V220	I72-C216 HydrophobicContact CD1-CB 3.92Å; I72-C216 HydrophobicContact CG1-CB 4.04Å; I72-C216 HydrophobicContact CG2-CB 4.14Å; L206-C216 HydrophobicContact CD1-CB 4.13Å; L206-C216 HydrophobicContact CD2-CB 4.32Å; G212-C216 PolarHBondContact O-N 2.85Å; V213-C216 WeakPolarHBondContact O-CB 3.27Å; V213-C216 PolarHBondContact O-N 2.95Å; Q214-C216 VanDerWaalsContact C-N 3.32Å; Q214-C216 PolarHBondContact O-N 3.29Å; C216-V220 WeakPolarHBondContact O-CG2 3.14Å; C216-V220 PolarHBondContact O-N 2.85Å
217	V	88.9	Confident	87.7	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-47.1	176.3	169.5	0	0	0	0	110.7	A75 L76 T79 V213 Q214 K219 V220 L221	A75-V217 HydrophobicContact CB-CG2 3.67Å; L76-V217 HydrophobicContact CB-CG1 4.48Å; L76-V217 HydrophobicContact CB-CG2 4.29Å; L76-V217 HydrophobicContact CD1-CG1 3.99Å; T79-V217 HydrophobicContact CG2-CG1 4.47Å; V213-V217 HydrophobicContact CG1-CG2 4.48Å; V213-V217 WeakPolarHBondContact O-CG2 3.5Å; V213-V217 PolarHBondContact O-N 2.99Å; Q214-V217 PolarHBondContact O-N 3.17Å; V217-K219 PolarHBondContact O-N 3.06Å; V217-V220 WeakPolarHBondContact O-CB 3.42Å; V217-V220 PolarHBondContact O-N 3.2Å; V217-L221 HydrophobicContact CG1-CD1 3.94Å; V217-L221 HydrophobicContact CG1-CG 4.35Å; V217-L221 PolarHBondContact O-N 2.93Å
218	Q	84.1	Confident	87.4	Confident	80 Å²	80	55.6 Å²	55.6	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-58.6	-46	179.7	-168	62.1	45.4	0	0	112	Q214 Q215 V220 L221 D222	Q214-Q218 PolarHBondContact O-N 3.4Å; Q215-Q218 PolarHBondContact O-N 3.14Å; Q218-V220 PolarHBondContact O-N 3.47Å; Q218-V220 VanDerWaalsContact O-N 3.16Å; Q218-L221 PolarHBondContact O-N 2.76Å; Q218-D222 PolarHBondContact NE2-OD1 2.93Å; Q218-D222 PolarHBondContact O-N 3.1Å
219	K	92.6	Very high	87.4	Confident	83 Å²	83	55.3 Å²	55.3	36%	0.361	30%	0.299	S	S	.	.	H	α-helix	trans	-56.4	-34.1	176.1	-73.4	175.6	-179.4	-177.8	0	113	L206 D211 Q215 V217 H223	L206-K219 HydrophobicContact CD2-CB 3.93Å; L206-K219 HydrophobicContact CD2-CD 3.98Å; D211-K219 IonicContact OD1-NZ 3.59Å; D211-K219 IonicContact OD2-NZ 2.71Å; D211-K219 PolarHBondContact OD2-NZ 2.75Å; Q215-K219 WeakPolarHBondContact O-CG 3.43Å; Q215-K219 PolarHBondContact O-N 2.83Å; Q215-K219 VanDerWaalsContact O-N 3.13Å; V217-K219 PolarHBondContact O-N 3.06Å; K219-H223 PolarHBondContact O-N 3.1Å
220	V	95.3	Very high	87.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-73.5	-44.7	176	-179.5	0	0	0	0	110.9	I59 L76 I204 L206 C216 V217 Q218 H223 L224	I59-V220 HydrophobicContact CD1-CG1 3.98Å; I59-V220 HydrophobicContact CG2-CG1 4.38Å; L76-V220 HydrophobicContact CD1-CG1 4.41Å; L76-V220 HydrophobicContact CD2-CB 4.19Å; L76-V220 HydrophobicContact CD2-CG1 3.55Å; I204-V220 HydrophobicContact CD1-CB 4.35Å; I204-V220 HydrophobicContact CD1-CG1 4.2Å; I204-V220 HydrophobicContact CD1-CG2 4.16Å; I204-V220 HydrophobicContact CG2-CG2 4.47Å; L206-V220 HydrophobicContact CD1-CG2 4.14Å; L206-V220 HydrophobicContact CD2-CG2 4.5Å; C216-V220 WeakPolarHBondContact O-CG2 3.14Å; C216-V220 PolarHBondContact O-N 2.85Å; V217-V220 WeakPolarHBondContact O-CB 3.42Å; V217-V220 PolarHBondContact O-N 3.2Å; Q218-V220 PolarHBondContact O-N 3.47Å; Q218-V220 VanDerWaalsContact O-N 3.16Å; V220-H223 PolarHBondContact O-N 3.46Å; V220-L224 HydrophobicContact CG1-CD1 4.09Å; V220-L224 HydrophobicContact CG1-CG 4.39Å; V220-L224 VanDerWaalsContact O-CG 3.27Å; V220-L224 WeakPolarHBondContact O-CG 3.33Å; V220-L224 PolarHBondContact O-N 3.08Å
221	L	89.9	Confident	86.5	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-51	176.6	-65.9	171.2	0	0	0	111.6	L76 T79 L80 V217 Q218 H223 L224 E225 L230	L76-L221 HydrophobicContact CD1-CD2 3.69Å; L76-L221 HydrophobicContact CD1-CG 4Å; T79-L221 HydrophobicContact CG2-CD1 3.75Å; L80-L221 HydrophobicContact CD2-CD2 3.8Å; L80-L221 HydrophobicContact CG-CD2 4.47Å; V217-L221 HydrophobicContact CG1-CD1 3.94Å; V217-L221 HydrophobicContact CG1-CG 4.35Å; V217-L221 PolarHBondContact O-N 2.93Å; Q218-L221 PolarHBondContact O-N 2.76Å; L221-H223 PolarHBondContact O-N 3.37Å; L221-L224 PolarHBondContact O-N 2.95Å; L221-E225 WeakPolarHBondContact O-CG 3.32Å; L221-E225 PolarHBondContact O-N 3.11Å; L221-L230 HydrophobicContact CD2-CD1 3.83Å
222	D	87.6	Confident	85	Confident	78 Å²	78	53.1 Å²	53.1	42%	0.417	28%	0.283	S	S	.	.	H	α-helix	trans	-54.6	-40.7	178.1	-60.6	-16.3	0	0	0	111.4	Q218 S226	Q218-D222 PolarHBondContact NE2-OD1 2.93Å; Q218-D222 PolarHBondContact O-N 3.1Å; D222-S226 WeakPolarHBondContact O-CB 3.33Å; D222-S226 PolarHBondContact O-N 2.94Å
223	H	93.1	Very high	83.6	Confident	33 Å²	33	59.1 Å²	59.1	15%	0.153	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-47.1	177.1	-172.6	98.1	0	0	0	111.3	E203 I204 K219 V220 L221 E225 S226 K227	E203-H223 PolarHBondContact O-CE1 3.35Å; I204-H223 HydrophobicContact CD1-CB 3.53Å; I204-H223 HydrophobicContact CG1-CB 4.05Å; K219-H223 PolarHBondContact O-N 3.1Å; V220-H223 PolarHBondContact O-N 3.46Å; L221-H223 PolarHBondContact O-N 3.37Å; H223-E225 VanDerWaalsContact C-N 3.32Å; H223-E225 PolarHBondContact O-N 2.89Å; H223-S226 PolarHBondContact O-N 3.31Å; H223-S226 PolarHBondContact O-OG 3.42Å; H223-K227 WeakPolarHBondContact O-CG 3.17Å; H223-K227 PolarHBondContact O-N 3.2Å; H223-K227 VanDerWaalsContact O-N 3.15Å
224	L	91.8	Very high	81.8	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-39.5	-179.2	-62.9	166.4	0	0	0	111.8	I59 I130 I158 V220 L221 K227 G228 L229 L230	I59-L224 HydrophobicContact CD1-CD1 3.69Å; I59-L224 HydrophobicContact CD1-CD2 3.9Å; I59-L224 HydrophobicContact CD1-CG 4.29Å; I59-L224 HydrophobicContact CG1-CD2 4.33Å; I130-L224 HydrophobicContact CD1-CD1 4.35Å; I158-L224 HydrophobicContact CD1-CD2 3.32Å; V220-L224 HydrophobicContact CG1-CD1 4.09Å; V220-L224 HydrophobicContact CG1-CG 4.39Å; V220-L224 VanDerWaalsContact O-CG 3.27Å; V220-L224 WeakPolarHBondContact O-CG 3.33Å; V220-L224 PolarHBondContact O-N 3.08Å; L221-L224 PolarHBondContact O-N 2.95Å; L224-K227 PolarHBondContact O-N 3.17Å; L224-G228 PolarHBondContact O-N 3.49Å; L224-L229 HydrophobicContact CB-CB 4.28Å; L224-L229 HydrophobicContact CD2-CB 4.25Å; L224-L229 HydrophobicContact CD2-CD1 3.82Å; L224-L229 WeakPolarHBondContact O-CB 3.24Å; L224-L229 PolarHBondContact O-N 2.94Å; L224-L230 HydrophobicContact CB-CB 4.28Å; L224-L230 HydrophobicContact CB-CD1 3.6Å; L224-L230 HydrophobicContact CB-CG 3.61Å; L224-L230 HydrophobicContact CD1-CD1 3.75Å; L224-L230 HydrophobicContact CD1-CG 4.21Å; L224-L230 HydrophobicContact CG-CD1 4.34Å; L224-L230 PolarHBondContact O-N 2.94Å
225	E	87.3	Confident	80.3	Confident	49 Å²	49	53.7 Å²	53.7	23%	0.229	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-50.1	172.9	-69.9	176.5	-178.3	0	0	110.8	L221 H223 K227 G228 L230	L221-E225 WeakPolarHBondContact O-CG 3.32Å; L221-E225 PolarHBondContact O-N 3.11Å; H223-E225 VanDerWaalsContact C-N 3.32Å; H223-E225 PolarHBondContact O-N 2.89Å; E225-K227 PolarHBondContact O-N 2.66Å; E225-G228 PolarHBondContact O-N 2.71Å; E225-L230 HydrophobicContact CG-CB 3.82Å; E225-L230 HydrophobicContact CG-CD1 4.38Å
226	S	88.4	Confident	79	Confident	87 Å²	87	54.6 Å²	54.6	61%	0.608	29%	0.285	S	S	*	.	H	α-helix	trans	-60.1	-20.5	178.8	79.9	0	0	0	0	114.3	D222 H223	D222-S226 WeakPolarHBondContact O-CB 3.33Å; D222-S226 PolarHBondContact O-N 2.94Å; H223-S226 PolarHBondContact O-N 3.31Å; H223-S226 PolarHBondContact O-OG 3.42Å
227	K	89.9	Confident	77.5	Confident	128 Å²	128	56.1 Å²	56.1	56%	0.557	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	1.2	177.6	-63.6	-57	179.7	-171.8	0	113.4	H223 L224 E225 L229	H223-K227 WeakPolarHBondContact O-CG 3.17Å; H223-K227 PolarHBondContact O-N 3.2Å; H223-K227 VanDerWaalsContact O-N 3.15Å; L224-K227 PolarHBondContact O-N 3.17Å; E225-K227 PolarHBondContact O-N 2.66Å; K227-L229 HydrophobicContact CB-CD1 4.06Å; K227-L229 HydrophobicContact CB-CG 4.09Å; K227-L229 PolarHBondContact O-N 3.24Å
228	G	86.7	Confident	76.5	Confident	36 Å²	36	60.6 Å²	60.6	37%	0.371	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	29.1	-174.8	0	0	0	0	0	112.7	L224 E225	L224-G228 PolarHBondContact O-N 3.49Å; E225-G228 PolarHBondContact O-N 2.71Å
229	L	87.8	Confident	76.2	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	33%	0.326	C	S	.	.	S	Bend	trans	-89.3	-28	172.6	-70	172.8	0	0	0	111.3	F54 R55 C57 K156 I158 L224 K227	F54-L229 VanDerWaalsContact CD2-O 3.29Å; F54-L229 WeakPolarHBondContact CD2-O 3.4Å; R55-L229 HydrophobicContact CB-CD2 3.94Å; R55-L229 PolarHBondContact N-O 3.3Å; R55-L229 VanDerWaalsContact N-O 3.09Å; C57-L229 HydrophobicContact CB-CD1 4.19Å; C57-L229 HydrophobicContact CB-CD2 4.1Å; K156-L229 HydrophobicContact CB-CD1 4.42Å; K156-L229 HydrophobicContact CB-CD2 4.08Å; K156-L229 HydrophobicContact CG-CD2 3.94Å; I158-L229 HydrophobicContact CD1-CD1 3.45Å; I158-L229 VanDerWaalsContact CD1-CD1 3.45Å; I158-L229 HydrophobicContact CG1-CD1 4.47Å; L224-L229 HydrophobicContact CB-CB 4.28Å; L224-L229 HydrophobicContact CD2-CB 4.25Å; L224-L229 HydrophobicContact CD2-CD1 3.82Å; L224-L229 WeakPolarHBondContact O-CB 3.24Å; L224-L229 PolarHBondContact O-N 2.94Å; K227-L229 HydrophobicContact CB-CD1 4.06Å; K227-L229 HydrophobicContact CB-CG 4.09Å; K227-L229 PolarHBondContact O-N 3.24Å
230	L	83.4	Confident	76.1	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	31%	0.314	C	S	.	.	S	Bend	trans	-111.7	150.7	167.4	-70	-173.9	0	0	0	108.8	F54 L80 I85 I130 L221 L224 E225 I234	F54-L230 HydrophobicContact CD2-CD2 3.9Å; F54-L230 HydrophobicContact CE2-CD2 4.27Å; L80-L230 HydrophobicContact CD2-CD1 4.19Å; L80-L230 HydrophobicContact CD2-CD2 4.3Å; I85-L230 HydrophobicContact CD1-CD2 3.63Å; I85-L230 HydrophobicContact CG1-CD2 4.23Å; I85-L230 HydrophobicContact CG2-CD2 4.1Å; I130-L230 HydrophobicContact CD1-CD2 3.91Å; L221-L230 HydrophobicContact CD2-CD1 3.83Å; L224-L230 HydrophobicContact CB-CB 4.28Å; L224-L230 HydrophobicContact CB-CD1 3.6Å; L224-L230 HydrophobicContact CB-CG 3.61Å; L224-L230 HydrophobicContact CD1-CD1 3.75Å; L224-L230 HydrophobicContact CD1-CG 4.21Å; L224-L230 HydrophobicContact CG-CD1 4.34Å; L224-L230 PolarHBondContact O-N 2.94Å; E225-L230 HydrophobicContact CG-CB 3.82Å; E225-L230 HydrophobicContact CG-CD1 4.38Å; L230-I234 HydrophobicContact CB-CD1 3.47Å; L230-I234 VanDerWaalsContact CB-CD1 3.47Å; L230-I234 HydrophobicContact CB-CG1 4.31Å; L230-I234 HydrophobicContact CD1-CD1 3.44Å; L230-I234 VanDerWaalsContact CD1-CD1 3.44Å; L230-I234 HydrophobicContact CD2-CD1 3.82Å; L230-I234 HydrophobicContact CG-CD1 3.67Å
231	P	71.5	Confident	76	Confident	23 Å²	23	58.1 Å²	58.1	15%	0.149	32%	0.322	C	S	.	.			trans	-50.8	140.8	166.7	-21.1	27.7	0	0	0	110.9	H51 Q233 I234	H51-P231 HydrophobicContact CB-CG 3.39Å; P231-Q233 PolarHBondContact O-N 3.46Å; P231-I234 HydrophobicContact CB-CG1 4.08Å; P231-I234 HydrophobicContact CG-CG1 3.91Å; P231-I234 PolarHBondContact O-N 3.09Å
232	E	56.9	Low	76.3	Confident	173 Å²	173	61.4 Å²	61.4	81%	0.808	34%	0.337	S	S	*	.	S	Bend	trans	-57.8	-13.5	-179.2	-76.4	-174.7	162.3	0	0	114
233	Q	52.2	Low	76.8	Confident	163 Å²	163	58.4 Å²	58.4	76%	0.762	32%	0.321	S	S	*	.			trans	-144.2	85.5	174.1	-62.5	178	5.1	0	0	107	P231 P235	P231-Q233 PolarHBondContact O-N 3.46Å; Q233-P235 WeakPolarHBondContact O-CD 3.44Å
234	I	46.2	Very low	77	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.062	32%	0.324	C	S	.	.			trans	-81.8	107.3	160.1	-56.1	156.4	0	0	0	106.1	L83 I85 L230 P231 D236	L83-I234 HydrophobicContact CB-CG2 3.69Å; L83-I234 HydrophobicContact CD1-CB 4.25Å; L83-I234 HydrophobicContact CD1-CD1 4.27Å; L83-I234 HydrophobicContact CD1-CG2 3.68Å; L83-I234 HydrophobicContact CD2-CG2 3.69Å; L83-I234 HydrophobicContact CG-CG2 3.83Å; I85-I234 HydrophobicContact CD1-CD1 3.26Å; I85-I234 HydrophobicContact CD1-CG1 4.03Å; I85-I234 HydrophobicContact CD1-CG2 4.22Å; L230-I234 HydrophobicContact CB-CD1 3.47Å; L230-I234 VanDerWaalsContact CB-CD1 3.47Å; L230-I234 HydrophobicContact CB-CG1 4.31Å; L230-I234 HydrophobicContact CD1-CD1 3.44Å; L230-I234 VanDerWaalsContact CD1-CD1 3.44Å; L230-I234 HydrophobicContact CD2-CD1 3.82Å; L230-I234 HydrophobicContact CG-CD1 3.67Å; P231-I234 HydrophobicContact CB-CG1 4.08Å; P231-I234 HydrophobicContact CG-CG1 3.91Å; P231-I234 PolarHBondContact O-N 3.09Å; I234-D236 PolarHBondContact O-N 3.09Å
235	P	45.3	Very low	77.1	Confident	56 Å²	56	60.7 Å²	60.7	36%	0.364	33%	0.333	S	S	.	.			trans	-69.4	128.2	-177.1	-17.9	35.8	0	0	0	108	Q233 V237	Q233-P235 WeakPolarHBondContact O-CD 3.44Å; P235-V237 WeakPolarHBondContact CB-O 3.36Å; P235-V237 PolarHBondContact O-N 3.2Å
236	D	51	Low	77.2	Confident	129 Å²	129	64.1 Å²	64.1	69%	0.69	36%	0.362	S	S	*	.	S	Bend	trans	-53.6	-16.1	163.5	-86.6	-32.4	0	0	0	112.1	I234	I234-D236 PolarHBondContact O-N 3.09Å
237	V	57.8	Low	77.3	Confident	33 Å²	33	63 Å²	63	20%	0.2	35%	0.349	C	S	.	.	S	Bend	trans	-133.5	123.3	-176.8	-167.9	0	0	0	0	109.9	P235 A239 R432	P235-V237 WeakPolarHBondContact CB-O 3.36Å; P235-V237 PolarHBondContact O-N 3.2Å; V237-A239 PolarHBondContact O-N 3.23Å; V237-R432 PolarHBondContact O-NH1 3.02Å
238	P	67.2	Low	77.4	Confident	96 Å²	96	63.7 Å²	63.7	62%	0.623	36%	0.359	S	S	*	.			trans	-42.6	139.3	-178.1	-29.6	33.5	0	0	0	113.6	R432	P238-R432 PolarHBondContact O-NH1 3.49Å; P238-R432 VanDerWaalsContact O-NH1 3.14Å; P238-R432 PolarHBondContact O-NH2 2.94Å
239	A	78.8	Confident	77.7	Confident	52 Å²	52	68.5 Å²	68.5	43%	0.43	38%	0.376	S	S	.	.			trans	-53.6	143.3	179.9	0	0	0	0	0	111	V237 T283 W324	V237-A239 PolarHBondContact O-N 3.23Å; A239-T283 WeakPolarHBondContact O-CG2 3.31Å; A239-W324 HydrophobicContact CB-CH2 4.15Å; A239-W324 HydrophobicContact CB-CZ2 3.93Å
240	V	89.7	Confident	78	Confident	18 Å²	18	70.6 Å²	70.6	11%	0.109	39%	0.389	C	S	.	.			trans	-96.7	124.8	174.9	179.7	0	0	0	0	107.9	E242 P428 R432 A539	V240-E242 HydrophobicContact CG1-CG 4.28Å; V240-E242 PolarHBondContact O-N 2.81Å; V240-P428 HydrophobicContact CG1-CB 4.24Å; V240-P428 HydrophobicContact CG1-CG 4.37Å; V240-P428 HydrophobicContact CG2-CB 4.19Å; V240-R432 VanDerWaalsContact CG2-CZ 3.48Å; V240-A539 WeakPolarHBondContact CG2-O 3.48Å
241	R	93.6	Very high	78.6	Confident	42 Å²	42	71.7 Å²	71.7	16%	0.158	40%	0.395	C	S	.	.			trans	-83.2	94	172.8	-170.3	178.7	-170.9	163.8	5.7	109.4	L243 G280 T283 P284 S286 D322 W324	R241-L243 HydrophobicContact CG-CD2 3.96Å; R241-G280 WeakPolarHBondContact O-CA 3.16Å; R241-T283 HydrophobicContact CB-CG2 4.12Å; R241-T283 PolarHBondContact N-OG1 3.48Å; R241-P284 VanDerWaalsContact CD-O 3.22Å; R241-P284 WeakPolarHBondContact CD-O 3.4Å; R241-P284 PolarHBondContact NH1-O 2.92Å; R241-S286 VanDerWaalsContact CZ-CB 3.43Å; R241-D322 IonicContact CZ-OD1 3.33Å; R241-D322 IonicContact CZ-OD2 3.85Å; R241-D322 IonicContact NH1-OD1 2.66Å; R241-D322 PolarHBondContact NH1-OD1 2.92Å; R241-D322 IonicContact NH1-OD2 3.21Å; R241-D322 PolarHBondContact NH1-OD2 3.44Å; R241-D322 IonicContact NH2-OD1 3.74Å; R241-D322 PolarHBondContact NH2-OD1 2.83Å; R241-D322 IonicContact NH2-OD2 3.67Å; R241-D322 PolarHBondContact NH2-OD2 2.8Å; R241-W324 VanDerWaalsContact CA-CH2 3.47Å; R241-W324 HydrophobicContact CB-CD2 4.18Å; R241-W324 HydrophobicContact CB-CE3 3.96Å; R241-W324 HydrophobicContact CB-CH2 3.47Å; R241-W324 VanDerWaalsContact CB-CH2 3.47Å; R241-W324 HydrophobicContact CB-CZ2 3.7Å; R241-W324 HydrophobicContact CB-CZ3 3.61Å; R241-W324 HydrophobicContact CG-CD2 4.32Å; R241-W324 HydrophobicContact CG-CE3 3.75Å; R241-W324 HydrophobicContact CG-CH2 4Å; R241-W324 HydrophobicContact CG-CZ3 3.57Å
242	E	96.1	Very high	79.7	Confident	74 Å²	74	73.3 Å²	73.3	35%	0.346	41%	0.411	S	S	.	.			trans	-77.9	144.9	165.2	-67.4	-176.2	-179.3	0	0	109.6	V240 F244 A278 N429	V240-E242 HydrophobicContact CG1-CG 4.28Å; V240-E242 PolarHBondContact O-N 2.81Å; E242-F244 HydrophobicContact CB-CD2 4.27Å; E242-A278 CarbonylContact C-O 3.58Å; E242-A278 VanDerWaalsContact CA-O 3.31Å; E242-A278 WeakPolarHBondContact CA-O 3.39Å; E242-N429 PolarHBondContact OE1-ND2 3.43Å
243	L	97.9	Very high	81.6	Confident	14 Å²	14	71.4 Å²	71.4	7%	0.073	40%	0.402	C	S	.	.			trans	-105.7	8.9	179.3	-51.1	-179.6	0	0	0	112.5	R241 L277 A278 S286 V409 V411	R241-L243 HydrophobicContact CG-CD2 3.96Å; L243-L277 HydrophobicContact CD1-CB 3.86Å; L243-A278 PolarHBondContact N-O 3.23Å; L243-S286 WeakPolarHBondContact CD1-O 3.37Å; L243-V409 HydrophobicContact CD1-CB 4.18Å; L243-V409 HydrophobicContact CD1-CG1 4.5Å; L243-V411 HydrophobicContact CB-CG2 4.16Å; L243-V411 WeakPolarHBondContact O-CB 3.14Å; L243-V411 PolarHBondContact O-N 3.21Å
244	F	97.4	Very high	83.7	Confident	51 Å²	51	64.3 Å²	64.3	22%	0.224	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-68.1	134	172.1	-63	-67	0	0	0	110.3	E242 S246 A278 E279 V411	E242-F244 HydrophobicContact CB-CD2 4.27Å; F244-S246 PolarHBondContact O-N 3.49Å; F244-A278 HydrophobicContact CD1-CB 4.37Å; F244-A278 WeakPolarHBondContact CD2-O 3.43Å; F244-A278 HydrophobicContact CE1-CB 3.71Å; F244-A278 HydrophobicContact CE2-CB 4.03Å; F244-A278 WeakPolarHBondContact CE2-O 3.22Å; F244-A278 HydrophobicContact CZ-CB 3.52Å; F244-E279 HydrophobicContact CE2-CG 3.99Å; F244-E279 HydrophobicContact CZ-CG 4.04Å; F244-V411 WeakPolarHBondContact CA-O 3.43Å; F244-V411 HydrophobicContact CD1-CB 3.93Å; F244-V411 HydrophobicContact CD1-CG1 3.68Å; F244-V411 HydrophobicContact CE1-CB 4.32Å; F244-V411 HydrophobicContact CE1-CG1 3.7Å
245	V	94.9	Very high	86.1	Confident	31 Å²	31	66.7 Å²	66.7	19%	0.188	38%	0.382	C	S	.	.			trans	-69.9	123.6	168.8	-178.4	0	0	0	0	108	T250 V251 L254 A410 V411 V412	V245-T250 HydrophobicContact CG1-CG2 3.68Å; V245-V251 HydrophobicContact CB-CG2 3.8Å; V245-V251 HydrophobicContact CG1-CG2 3.8Å; V245-L254 HydrophobicContact CG2-CD1 3.82Å; V245-A410 HydrophobicContact CG2-CB 3.84Å; V245-V411 PolarHBondContact N-O 3.41Å; V245-V412 HydrophobicContact CG2-CG1 4.34Å
246	S	88.1	Confident	88.5	Confident	121 Å²	121	71.4 Å²	71.4	85%	0.846	40%	0.396	S	S	*	.			trans	-79.9	-21.2	-169.4	50.9	0	0	0	0	114.6	F244	F244-S246 PolarHBondContact O-N 3.49Å
247	D	90.6	Very high	90.6	Very high	63 Å²	63	68.2 Å²	68.2	34%	0.337	38%	0.377	S	S	.	.			trans	-118.2	134.7	-173.7	73	102.7	0	0	0	113.2	L249 T250 V251	D247-L249 PolarHBondContact O-N 3.03Å; D247-T250 PolarHBondContact O-N 3.35Å; D247-T250 WeakPolarHBondContact OD1-CB 3.41Å; D247-T250 PolarHBondContact OD1-N 3.37Å; D247-T250 PolarHBondContact OD1-OG1 2.93Å; D247-T250 VanDerWaalsContact OD2-CB 3.26Å; D247-T250 WeakPolarHBondContact OD2-CB 3.41Å; D247-T250 PolarHBondContact OD2-OG1 3.44Å; D247-V251 WeakPolarHBondContact O-CG2 3.39Å; D247-V251 PolarHBondContact O-N 2.93Å; D247-V251 VanDerWaalsContact O-N 3.09Å
248	D	91.8	Very high	92.4	Very high	143 Å²	143	67 Å²	67	77%	0.765	37%	0.37	S	S	*	.	H	α-helix	trans	-64.1	-27.3	-174.7	-69.1	-27	0	0	0	113.3	A252	D248-A252 WeakPolarHBondContact O-CB 3.42Å; D248-A252 PolarHBondContact O-N 3.45Å
249	L	94	Very high	93.7	Very high	137 Å²	137	69.7 Å²	69.7	72%	0.717	37%	0.374	S	S	*	.	H	α-helix	trans	-68.6	-51.5	178.6	-70.7	174	0	0	0	110.6	D247 V251 A252 E253	D247-L249 PolarHBondContact O-N 3.03Å; L249-V251 VanDerWaalsContact C-N 3.28Å; L249-V251 PolarHBondContact O-N 3Å; L249-A252 PolarHBondContact O-N 3.37Å; L249-A252 VanDerWaalsContact O-N 3.13Å; L249-E253 WeakPolarHBondContact O-CG 3.35Å; L249-E253 PolarHBondContact O-N 2.99Å
250	T	94.1	Very high	94.5	Very high	50 Å²	50	74 Å²	74	31%	0.307	39%	0.39	S	S	.	.	H	α-helix	trans	-61.5	-39.6	175.9	-58.4	0	0	0	0	110.6	V245 D247 A252 E253 L254	V245-T250 HydrophobicContact CG1-CG2 3.68Å; D247-T250 PolarHBondContact O-N 3.35Å; D247-T250 WeakPolarHBondContact OD1-CB 3.41Å; D247-T250 PolarHBondContact OD1-N 3.37Å; D247-T250 PolarHBondContact OD1-OG1 2.93Å; D247-T250 VanDerWaalsContact OD2-CB 3.26Å; D247-T250 WeakPolarHBondContact OD2-CB 3.41Å; D247-T250 PolarHBondContact OD2-OG1 3.44Å; T250-A252 PolarHBondContact O-N 3.24Å; T250-E253 PolarHBondContact O-N 3.39Å; T250-L254 HydrophobicContact CG2-CD1 3.91Å; T250-L254 HydrophobicContact CG2-CG 4.18Å; T250-L254 WeakPolarHBondContact O-CB 3.44Å; T250-L254 WeakPolarHBondContact O-CG 3.08Å; T250-L254 PolarHBondContact O-N 3.36Å
251	V	95.4	Very high	94.8	Very high	24 Å²	24	74.7 Å²	74.7	15%	0.145	39%	0.393	C	S	.	.	H	α-helix	trans	-56.2	-49.6	172.5	167.7	0	0	0	0	111.4	V245 D247 L249 E253 L254 L255 V412	V245-V251 HydrophobicContact CB-CG2 3.8Å; V245-V251 HydrophobicContact CG1-CG2 3.8Å; D247-V251 WeakPolarHBondContact O-CG2 3.39Å; D247-V251 PolarHBondContact O-N 2.93Å; D247-V251 VanDerWaalsContact O-N 3.09Å; L249-V251 VanDerWaalsContact C-N 3.28Å; L249-V251 PolarHBondContact O-N 3Å; V251-E253 VanDerWaalsContact C-N 3.34Å; V251-E253 PolarHBondContact O-N 3.04Å; V251-L254 PolarHBondContact O-N 2.7Å; V251-L255 HydrophobicContact CG1-CD1 3.87Å; V251-L255 HydrophobicContact CG1-CG 4.43Å; V251-L255 WeakPolarHBondContact O-CB 3.4Å; V251-L255 VanDerWaalsContact O-CG 3.31Å; V251-L255 WeakPolarHBondContact O-CG 3.4Å; V251-L255 PolarHBondContact O-N 3.09Å; V251-V412 HydrophobicContact CG1-CB 4.25Å; V251-V412 WeakPolarHBondContact CG1-O 3.46Å
252	A	95.4	Very high	95	Very high	57 Å²	57	75.1 Å²	75.1	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-38.7	179.7	0	0	0	0	0	112.6	D248 L249 T250 K256	D248-A252 WeakPolarHBondContact O-CB 3.42Å; D248-A252 PolarHBondContact O-N 3.45Å; L249-A252 PolarHBondContact O-N 3.37Å; L249-A252 VanDerWaalsContact O-N 3.13Å; T250-A252 PolarHBondContact O-N 3.24Å; A252-K256 WeakPolarHBondContact O-CB 3.33Å; A252-K256 PolarHBondContact O-N 2.98Å
253	E	96	Very high	95	Very high	134 Å²	134	74.9 Å²	74.9	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-64	-47.7	175.5	-72.5	179.5	171.7	0	0	111.8	L249 T250 V251 L255 K256 E257	L249-E253 WeakPolarHBondContact O-CG 3.35Å; L249-E253 PolarHBondContact O-N 2.99Å; T250-E253 PolarHBondContact O-N 3.39Å; V251-E253 VanDerWaalsContact C-N 3.34Å; V251-E253 PolarHBondContact O-N 3.04Å; E253-L255 PolarHBondContact O-N 3.2Å; E253-K256 PolarHBondContact O-N 3.29Å; E253-E257 WeakPolarHBondContact O-CB 3.5Å; E253-E257 PolarHBondContact O-N 3.33Å
254	L	96.1	Very high	95.1	Very high	13 Å²	13	74.5 Å²	74.5	7%	0.068	40%	0.404	C	S	.	.	H	α-helix	trans	-63.3	-40.3	177.5	-69	174.1	0	0	0	111.9	V245 T250 V251 E257 S258 I365 A410 V412	V245-L254 HydrophobicContact CG2-CD1 3.82Å; T250-L254 HydrophobicContact CG2-CD1 3.91Å; T250-L254 HydrophobicContact CG2-CG 4.18Å; T250-L254 WeakPolarHBondContact O-CB 3.44Å; T250-L254 WeakPolarHBondContact O-CG 3.08Å; T250-L254 PolarHBondContact O-N 3.36Å; V251-L254 PolarHBondContact O-N 2.7Å; L254-E257 PolarHBondContact O-N 3.49Å; L254-S258 VanDerWaalsContact O-CB 3.32Å; L254-S258 WeakPolarHBondContact O-CB 3.48Å; L254-S258 PolarHBondContact O-N 2.76Å; L254-I365 HydrophobicContact CB-CG1 4.13Å; L254-I365 HydrophobicContact CD2-CG1 4.21Å; L254-A410 HydrophobicContact CD1-CB 4.44Å; L254-V412 HydrophobicContact CB-CG1 3.77Å; L254-V412 HydrophobicContact CD1-CG1 3.64Å; L254-V412 HydrophobicContact CG-CG1 4.37Å
255	L	96.2	Very high	95.1	Very high	62 Å²	62	77 Å²	77	33%	0.325	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-40.3	175.5	-75	172.9	0	0	0	111.7	V251 E253 S258 V362 V412	V251-L255 HydrophobicContact CG1-CD1 3.87Å; V251-L255 HydrophobicContact CG1-CG 4.43Å; V251-L255 WeakPolarHBondContact O-CB 3.4Å; V251-L255 VanDerWaalsContact O-CG 3.31Å; V251-L255 WeakPolarHBondContact O-CG 3.4Å; V251-L255 PolarHBondContact O-N 3.09Å; E253-L255 PolarHBondContact O-N 3.2Å; L255-S258 PolarHBondContact O-N 2.85Å; L255-S258 PolarHBondContact O-OG 3.16Å; L255-V362 HydrophobicContact CD2-CB 4.17Å; L255-V362 HydrophobicContact CD2-CG1 4.33Å; L255-V412 HydrophobicContact CD2-CG2 3.86Å; L255-V412 HydrophobicContact CG-CG2 4.36Å
256	K	96.3	Very high	95.3	Very high	155 Å²	155	75.8 Å²	75.8	67%	0.674	41%	0.408	S	S	*	.	H	α-helix	trans	-65.5	-44.7	174.7	-176.3	-178.3	177.2	-175	0	111.6	A252 E253 S258 Q259	A252-K256 WeakPolarHBondContact O-CB 3.33Å; A252-K256 PolarHBondContact O-N 2.98Å; E253-K256 PolarHBondContact O-N 3.29Å; K256-S258 VanDerWaalsContact C-N 3.31Å; K256-S258 PolarHBondContact O-N 3.25Å; K256-Q259 WeakPolarHBondContact O-CB 3.31Å; K256-Q259 PolarHBondContact O-N 3.04Å
257	E	94.9	Very high	95.7	Very high	63 Å²	63	73.6 Å²	73.6	29%	0.294	39%	0.39	S	S	.	.	H	α-helix	trans	-59.1	-43.3	176	-175.6	-175.3	173.4	0	0	111.4	E253 L254 Q259 N260 L261 R353	E253-E257 WeakPolarHBondContact O-CB 3.5Å; E253-E257 PolarHBondContact O-N 3.33Å; L254-E257 PolarHBondContact O-N 3.49Å; E257-Q259 PolarHBondContact O-N 3.12Å; E257-N260 PolarHBondContact O-N 3.11Å; E257-L261 HydrophobicContact CG-CD1 4.19Å; E257-L261 HydrophobicContact CG-CD2 4.28Å; E257-L261 HydrophobicContact CG-CG 4.21Å; E257-R353 WeakPolarHBondContact OE1-CD 3.15Å; E257-R353 IonicContact OE1-CZ 3.58Å; E257-R353 IonicContact OE1-NE 2.8Å; E257-R353 IonicContact OE1-NH1 3.98Å; E257-R353 PolarHBondContact OE1-NH1 3.19Å; E257-R353 IonicContact OE2-CZ 3.68Å; E257-R353 IonicContact OE2-NH1 3.45Å; E257-R353 PolarHBondContact OE2-NH1 3.15Å; E257-R353 IonicContact OE2-NH2 3.37Å
258	S	95.6	Very high	96.1	Very high	7 Å²	7	76.1 Å²	76.1	5%	0.049	40%	0.398	C	S	.	.	H	α-helix	trans	-56.6	-21.3	-177.3	80.5	0	0	0	0	114.8	L254 L255 K256 N260 L261	L254-S258 VanDerWaalsContact O-CB 3.32Å; L254-S258 WeakPolarHBondContact O-CB 3.48Å; L254-S258 PolarHBondContact O-N 2.76Å; L255-S258 PolarHBondContact O-N 2.85Å; L255-S258 PolarHBondContact O-OG 3.16Å; K256-S258 VanDerWaalsContact C-N 3.31Å; K256-S258 PolarHBondContact O-N 3.25Å; S258-N260 PolarHBondContact O-N 3.24Å; S258-L261 PolarHBondContact O-N 2.95Å
259	Q	95.1	Very high	96.4	Very high	152 Å²	152	70.5 Å²	70.5	71%	0.71	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-25.1	176.8	-62.8	178.8	-2.2	0	0	112.6	K256 E257	K256-Q259 WeakPolarHBondContact O-CB 3.31Å; K256-Q259 PolarHBondContact O-N 3.04Å; E257-Q259 PolarHBondContact O-N 3.12Å
260	N	95.2	Very high	96.6	Very high	143 Å²	143	65 Å²	65	77%	0.765	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-1.6	-178.5	-58	-57.9	0	0	0	113	E257 S258	E257-N260 PolarHBondContact O-N 3.11Å; S258-N260 PolarHBondContact O-N 3.24Å
261	L	96.4	Very high	96.9	Very high	32 Å²	32	62.6 Å²	62.6	17%	0.168	33%	0.326	C	S	.	.	S	Bend	trans	-83.4	148.2	179.6	-64.7	-177.9	0	0	0	111.3	E257 S258 R353 A355 I365	E257-L261 HydrophobicContact CG-CD1 4.19Å; E257-L261 HydrophobicContact CG-CD2 4.28Å; E257-L261 HydrophobicContact CG-CG 4.21Å; S258-L261 PolarHBondContact O-N 2.95Å; L261-R353 HydrophobicContact CD1-CB 4.11Å; L261-R353 HydrophobicContact CD2-CB 4.14Å; L261-A355 HydrophobicContact CB-CB 4.25Å; L261-I365 HydrophobicContact CD1-CD1 4.06Å; L261-I365 HydrophobicContact CD1-CG2 4.15Å
262	P	97.3	Very high	97	Very high	51 Å²	51	62 Å²	62	33%	0.331	32%	0.321	S	S	.	.			trans	-54.3	146.8	160.8	-23.9	35.7	0	0	0	110.8	L348 V351 I354 A355	P262-L348 HydrophobicContact CB-CD2 3.85Å; P262-V351 HydrophobicContact CB-CG1 4.38Å; P262-V351 HydrophobicContact CG-CG1 3.86Å; P262-V351 HydrophobicContact CG-CG2 3.84Å; P262-I354 WeakPolarHBondContact O-CA 3.4Å; P262-A355 PolarHBondContact O-N 2.87Å
263	T	97.4	Very high	97.2	Very high	69 Å²	69	60.4 Å²	60.4	42%	0.423	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142	-172.6	62.8	0	0	0	0	111.9	A355 K357	T263-A355 CarbonylContact C-O 3.51Å; T263-A355 VanDerWaalsContact CA-O 3.24Å; T263-A355 WeakPolarHBondContact CA-O 3.41Å; T263-A355 HydrophobicContact CG2-CB 4.23Å; T263-K357 HydrophobicContact CG2-CD 3.87Å; T263-K357 VanDerWaalsContact CG2-CE 3.48Å
264	V	98.3	Very high	97.3	Very high	7 Å²	7	54 Å²	54	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.8	165.7	173.4	0	0	0	0	108	L338 I340 V344 L348 I354 A355 L356 K357 L405	V264-L338 HydrophobicContact CG1-CD2 4.3Å; V264-I340 HydrophobicContact CG1-CG2 4.26Å; V264-V344 HydrophobicContact CG2-CG1 3.93Å; V264-L348 HydrophobicContact CG2-CD1 3.94Å; V264-I354 HydrophobicContact CB-CG2 4.25Å; V264-I354 HydrophobicContact CG2-CG2 3.72Å; V264-A355 PolarHBondContact N-O 2.82Å; V264-L356 HydrophobicContact CB-CD2 4Å; V264-K357 PolarHBondContact O-N 2.9Å; V264-L405 HydrophobicContact CG2-CD2 4.15Å
265	E	98	Very high	97.5	Very high	102 Å²	102	53.5 Å²	53.5	48%	0.477	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.8	174	-169.2	68	-161.2	0	0	109.1	K357 Y358 N359	E265-K357 CarbonylContact C-O 3.5Å; E265-K357 WeakPolarHBondContact CA-O 3.47Å; E265-K357 VanDerWaalsContact OE2-CB 3.31Å; E265-K357 WeakPolarHBondContact OE2-CB 3.4Å; E265-Y358 WeakPolarHBondContact OE1-CA 3.36Å; E265-N359 PolarHBondContact OE1-N 3.42Å
266	L	98.5	Very high	97.6	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-81.6	142.4	178	-59.3	-178.1	0	0	0	109.6	D270 L271 L274 L338 L356 K357 Y358	L266-D270 HydrophobicContact CB-CB 3.96Å; L266-D270 HydrophobicContact CD2-CB 3.96Å; L266-D270 HydrophobicContact CG-CB 4.47Å; L266-L271 HydrophobicContact CD1-CD1 4.4Å; L266-L274 HydrophobicContact CD1-CD2 3.84Å; L266-L338 HydrophobicContact CD2-CD1 3.76Å; L266-L338 HydrophobicContact CD2-CD2 4.14Å; L266-L356 HydrophobicContact CD1-CB 4.1Å; L266-L356 HydrophobicContact CD2-CB 4.29Å; L266-L356 HydrophobicContact CD2-CD2 4.49Å; L266-L356 HydrophobicContact CG-CB 4.28Å; L266-K357 VanDerWaalsContact CB-O 3.29Å; L266-K357 WeakPolarHBondContact CB-O 3.43Å; L266-K357 WeakPolarHBondContact CG-O 3.24Å; L266-K357 PolarHBondContact N-O 3.03Å; L266-Y358 WeakPolarHBondContact O-CD2 3.46Å
267	T	98.2	Very high	97.7	Very high	76 Å²	76	43.3 Å²	43.3	47%	0.466	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-75.1	171.1	159.7	72.3	0	0	0	0	110.2	V269 D270 L271	T267-V269 PolarHBondContact O-N 2.84Å; T267-V269 PolarHBondContact OG1-N 2.93Å; T267-D270 VanDerWaalsContact CB-OD2 3.25Å; T267-D270 WeakPolarHBondContact CB-OD2 3.09Å; T267-D270 WeakPolarHBondContact CG2-OD2 2.99Å; T267-D270 PolarHBondContact N-OD2 3.41Å; T267-D270 PolarHBondContact O-N 3.28Å; T267-D270 PolarHBondContact OG1-N 3.45Å; T267-D270 PolarHBondContact OG1-OD2 3.22Å; T267-L271 PolarHBondContact O-N 3.04Å
268	K	98.1	Very high	97.9	Very high	115 Å²	115	40.3 Å²	40.3	50%	0.5	21%	0.21	S	C	.	.	H	α-helix	trans	-60.6	-34.6	173.4	-174.1	175.5	179.8	178.6	0	112.4	L271 Q272 Y358	K268-L271 PolarHBondContact O-N 3.38Å; K268-Q272 VanDerWaalsContact O-CG 3.31Å; K268-Q272 WeakPolarHBondContact O-CG 3.48Å; K268-Q272 PolarHBondContact O-N 2.89Å; K268-Q272 VanDerWaalsContact O-N 3.11Å; K268-Y358 HydrophobicContact CB-CE2 4.08Å
269	V	98.5	Very high	98	Very high	26 Å²	26	40.1 Å²	40.1	16%	0.158	21%	0.208	C	C	.	.	H	α-helix	trans	-70	-39	177.5	178.8	0	0	0	0	110.3	T267 Q272 W273 W484 P521	T267-V269 PolarHBondContact O-N 2.84Å; T267-V269 PolarHBondContact OG1-N 2.93Å; V269-Q272 WeakPolarHBondContact O-CB 3.38Å; V269-Q272 PolarHBondContact O-N 3.11Å; V269-W273 PolarHBondContact O-N 2.99Å; V269-W484 HydrophobicContact CG2-CB 3.93Å; V269-W484 HydrophobicContact CG2-CG 4.13Å; V269-P521 HydrophobicContact CG1-CB 4.24Å; V269-P521 HydrophobicContact CG1-CG 3.93Å
270	D	98.7	Very high	98.1	Very high	20 Å²	20	32.9 Å²	32.9	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-38.5	175.7	-53.5	-45.7	0	0	0	111.5	L266 T267 Q272 W273 L274 L338	L266-D270 HydrophobicContact CB-CB 3.96Å; L266-D270 HydrophobicContact CD2-CB 3.96Å; L266-D270 HydrophobicContact CG-CB 4.47Å; T267-D270 VanDerWaalsContact CB-OD2 3.25Å; T267-D270 WeakPolarHBondContact CB-OD2 3.09Å; T267-D270 WeakPolarHBondContact CG2-OD2 2.99Å; T267-D270 PolarHBondContact N-OD2 3.41Å; T267-D270 PolarHBondContact O-N 3.28Å; T267-D270 PolarHBondContact OG1-N 3.45Å; T267-D270 PolarHBondContact OG1-OD2 3.22Å; D270-Q272 VanDerWaalsContact C-N 3.3Å; D270-Q272 PolarHBondContact O-N 3.37Å; D270-W273 PolarHBondContact O-N 2.78Å; D270-L274 WeakPolarHBondContact O-CB 3.49Å; D270-L274 PolarHBondContact O-N 2.89Å; D270-L338 HydrophobicContact CB-CD1 3.93Å
271	L	98.7	Very high	98.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-37.4	172.9	-175.3	69.8	0	0	0	112	L266 T267 K268 L274 Q275 Y358 Y363 I415 F417	L266-L271 HydrophobicContact CD1-CD1 4.4Å; T267-L271 PolarHBondContact O-N 3.04Å; K268-L271 PolarHBondContact O-N 3.38Å; L271-L274 HydrophobicContact CD1-CD2 4.35Å; L271-L274 WeakPolarHBondContact O-CB 3.48Å; L271-L274 PolarHBondContact O-N 3.33Å; L271-Q275 PolarHBondContact O-N 3.42Å; L271-Y358 HydrophobicContact CB-CD2 4.36Å; L271-Y358 HydrophobicContact CB-CG 4.43Å; L271-Y358 HydrophobicContact CD2-CD1 3.53Å; L271-Y358 HydrophobicContact CD2-CD2 4.32Å; L271-Y358 HydrophobicContact CD2-CE1 3.75Å; L271-Y358 HydrophobicContact CD2-CG 3.82Å; L271-Y358 HydrophobicContact CG-CG 4.49Å; L271-Y363 HydrophobicContact CD1-CD1 4.03Å; L271-Y363 HydrophobicContact CD1-CD2 4.06Å; L271-Y363 HydrophobicContact CD1-CE1 4.24Å; L271-Y363 HydrophobicContact CD1-CE2 4.28Å; L271-Y363 HydrophobicContact CD1-CG 3.91Å; L271-I415 HydrophobicContact CD1-CG1 4.28Å; L271-I415 HydrophobicContact CD1-CG2 4.22Å; L271-I415 HydrophobicContact CD2-CG2 4.3Å; L271-I415 HydrophobicContact CG-CG2 4.05Å; L271-F417 HydrophobicContact CD2-CE1 4.08Å
272	Q	98.8	Very high	98.3	Very high	11 Å²	11	24.6 Å²	24.6	5%	0.051	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-39.7	174.6	-70.8	166.3	-10.4	0	0	111.6	K268 V269 D270 Q275 V276 F417 P521	K268-Q272 VanDerWaalsContact O-CG 3.31Å; K268-Q272 WeakPolarHBondContact O-CG 3.48Å; K268-Q272 PolarHBondContact O-N 2.89Å; K268-Q272 VanDerWaalsContact O-N 3.11Å; V269-Q272 WeakPolarHBondContact O-CB 3.38Å; V269-Q272 PolarHBondContact O-N 3.11Å; D270-Q272 VanDerWaalsContact C-N 3.3Å; D270-Q272 PolarHBondContact O-N 3.37Å; Q272-Q275 WeakPolarHBondContact O-CB 3.34Å; Q272-Q275 PolarHBondContact O-N 3.14Å; Q272-V276 WeakPolarHBondContact O-CG2 3.48Å; Q272-V276 PolarHBondContact O-N 3.33Å; Q272-F417 HydrophobicContact CG-CE1 4.15Å; Q272-F417 HydrophobicContact CG-CZ 3.82Å; Q272-P521 HydrophobicContact CB-CG 3.82Å
273	W	98.9	Very high	98.2	Very high	23 Å²	23	23.1 Å²	23.1	9%	0.087	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-37.5	172	-75.7	123	0	0	0	112.7	V269 D270 Q275 V276 L277 F288 I334 I336 S520 P521 M523 W532	V269-W273 PolarHBondContact O-N 2.99Å; D270-W273 PolarHBondContact O-N 2.78Å; W273-Q275 VanDerWaalsContact C-N 3.27Å; W273-Q275 PolarHBondContact O-N 2.75Å; W273-V276 HydrophobicContact CE3-CB 4.1Å; W273-V276 HydrophobicContact CE3-CG1 4.1Å; W273-V276 HydrophobicContact CE3-CG2 4.09Å; W273-V276 HydrophobicContact CZ3-CG1 4.2Å; W273-V276 HydrophobicContact CZ3-CG2 4.32Å; W273-V276 WeakPolarHBondContact O-CB 3.4Å; W273-V276 PolarHBondContact O-N 3.45Å; W273-L277 PolarHBondContact O-N 2.93Å; W273-F288 HydrophobicContact CB-CE1 4.07Å; W273-I334 HydrophobicContact CH2-CD1 3.49Å; W273-I334 VanDerWaalsContact CH2-CD1 3.49Å; W273-I334 HydrophobicContact CZ2-CD1 4.49Å; W273-I334 HydrophobicContact CZ3-CD1 3.88Å; W273-I336 HydrophobicContact CD2-CG2 4.48Å; W273-I336 HydrophobicContact CE3-CG1 4.24Å; W273-I336 HydrophobicContact CE3-CG2 4Å; W273-I336 HydrophobicContact CZ3-CD1 4.37Å; W273-I336 HydrophobicContact CZ3-CG1 4.11Å; W273-S520 WeakPolarHBondContact CH2-OG 3.46Å; W273-P521 HydrophobicContact CD2-CG 4.01Å; W273-P521 HydrophobicContact CG-CG 4.25Å; W273-P521 HydrophobicContact CZ2-CB 3.93Å; W273-P521 HydrophobicContact CZ2-CG 3.95Å; W273-M523 HydrophobicContact CH2-CE 4.15Å; W273-M523 HydrophobicContact CH2-SD 4.35Å; W273-M523 HydrophobicContact CZ2-SD 4.3Å; W273-W532 HydrophobicContact CZ3-CZ2 4.18Å
274	L	98.9	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-40.5	171.9	-177.7	62.1	0	0	0	110.6	L266 D270 L271 L277 A278 F288 A364 V409 V411 I415	L266-L274 HydrophobicContact CD1-CD2 3.84Å; D270-L274 WeakPolarHBondContact O-CB 3.49Å; D270-L274 PolarHBondContact O-N 2.89Å; L271-L274 HydrophobicContact CD1-CD2 4.35Å; L271-L274 WeakPolarHBondContact O-CB 3.48Å; L271-L274 PolarHBondContact O-N 3.33Å; L274-L277 PolarHBondContact O-N 2.98Å; L274-A278 WeakPolarHBondContact O-CB 3.46Å; L274-A278 PolarHBondContact O-N 3.42Å; L274-F288 HydrophobicContact CB-CZ 4.38Å; L274-F288 HydrophobicContact CD1-CE2 4.34Å; L274-A364 HydrophobicContact CD1-CB 4.11Å; L274-A364 HydrophobicContact CD2-CB 4.01Å; L274-V409 HydrophobicContact CD1-CG1 3.64Å; L274-V411 HydrophobicContact CD1-CG2 3.97Å; L274-V411 HydrophobicContact CG-CG2 4.5Å; L274-I415 HydrophobicContact CD2-CD1 4.43Å; L274-I415 HydrophobicContact CG-CD1 4.08Å
275	Q	98.8	Very high	97.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-43.5	174.5	-173.4	-175.9	15.7	0	0	112.4	L271 Q272 W273 L277 A278 E279 I415 P519	L271-Q275 PolarHBondContact O-N 3.42Å; Q272-Q275 WeakPolarHBondContact O-CB 3.34Å; Q272-Q275 PolarHBondContact O-N 3.14Å; W273-Q275 VanDerWaalsContact C-N 3.27Å; W273-Q275 PolarHBondContact O-N 2.75Å; Q275-L277 VanDerWaalsContact C-N 3.27Å; Q275-L277 PolarHBondContact O-N 2.97Å; Q275-A278 PolarHBondContact O-N 3.02Å; Q275-E279 HydrophobicContact CG-CG 4.17Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.32Å; Q275-E279 PolarHBondContact NE2-OE1 2.87Å; Q275-E279 WeakPolarHBondContact O-CB 3.19Å; Q275-E279 WeakPolarHBondContact O-CG 3.27Å; Q275-E279 PolarHBondContact O-N 3.27Å; Q275-I415 VanDerWaalsContact CA-CD1 3.48Å; Q275-I415 HydrophobicContact CB-CB 4.29Å; Q275-I415 HydrophobicContact CB-CD1 3.83Å; Q275-I415 HydrophobicContact CB-CG2 4.12Å; Q275-I415 HydrophobicContact CG-CB 4.26Å; Q275-I415 HydrophobicContact CG-CD1 4.36Å; Q275-I415 HydrophobicContact CG-CG2 4.34Å; Q275-P519 VanDerWaalsContact CD-CB 3.44Å; Q275-P519 HydrophobicContact CG-CB 4.01Å; Q275-P519 HydrophobicContact CG-CG 4.33Å
276	V	98.9	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-54.8	-45.8	175.2	165.4	0	0	0	0	111.1	Q272 W273 W281 A282 I336 P519 W532	Q272-V276 WeakPolarHBondContact O-CG2 3.48Å; Q272-V276 PolarHBondContact O-N 3.33Å; W273-V276 HydrophobicContact CE3-CB 4.1Å; W273-V276 HydrophobicContact CE3-CG1 4.1Å; W273-V276 HydrophobicContact CE3-CG2 4.09Å; W273-V276 HydrophobicContact CZ3-CG1 4.2Å; W273-V276 HydrophobicContact CZ3-CG2 4.32Å; W273-V276 WeakPolarHBondContact O-CB 3.4Å; W273-V276 PolarHBondContact O-N 3.45Å; V276-W281 HydrophobicContact CG1-CB 3.97Å; V276-W281 WeakPolarHBondContact O-CB 3.03Å; V276-W281 PolarHBondContact O-N 3.36Å; V276-W281 VanDerWaalsContact O-N 3.15Å; V276-A282 HydrophobicContact CG1-CB 4.3Å; V276-I336 HydrophobicContact CG1-CD1 4.27Å; V276-P519 HydrophobicContact CG2-CG 4.2Å; V276-W532 HydrophobicContact CG1-CH2 3.56Å; V276-W532 HydrophobicContact CG1-CZ2 3.49Å; V276-W532 VanDerWaalsContact CG1-CZ2 3.49Å
277	L	98.8	Very high	97.9	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-67.6	-49.5	176.7	-72	167.7	0	0	0	111.4	L243 W273 L274 Q275 E279 G280 A282 L285 G287 F288 I336	L243-L277 HydrophobicContact CD1-CB 3.86Å; W273-L277 PolarHBondContact O-N 2.93Å; L274-L277 PolarHBondContact O-N 2.98Å; Q275-L277 VanDerWaalsContact C-N 3.27Å; Q275-L277 PolarHBondContact O-N 2.97Å; L277-E279 VanDerWaalsContact C-N 3.32Å; L277-E279 PolarHBondContact O-N 3.23Å; L277-G280 PolarHBondContact O-N 2.94Å; L277-A282 HydrophobicContact CD2-CB 4Å; L277-L285 HydrophobicContact CD2-CB 3.99Å; L277-L285 HydrophobicContact CD2-CD1 4.11Å; L277-G287 VanDerWaalsContact CD2-O 3.28Å; L277-G287 WeakPolarHBondContact CD2-O 3.27Å; L277-F288 HydrophobicContact CD1-CD1 3.7Å; L277-F288 HydrophobicContact CD1-CD2 4.21Å; L277-F288 HydrophobicContact CD1-CE1 3.78Å; L277-F288 HydrophobicContact CD1-CE2 4.27Å; L277-F288 HydrophobicContact CD1-CG 3.94Å; L277-F288 HydrophobicContact CD1-CZ 4.07Å; L277-I336 HydrophobicContact CD1-CG2 3.91Å; L277-I336 HydrophobicContact CD2-CG2 3.97Å; L277-I336 HydrophobicContact CG-CG2 3.87Å
278	A	98.6	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-55.7	-45.2	-175.7	0	0	0	0	0	112.9	E242 L243 F244 L274 Q275 G280 V411 I415	E242-A278 CarbonylContact C-O 3.58Å; E242-A278 VanDerWaalsContact CA-O 3.31Å; E242-A278 WeakPolarHBondContact CA-O 3.39Å; L243-A278 PolarHBondContact N-O 3.23Å; F244-A278 HydrophobicContact CD1-CB 4.37Å; F244-A278 WeakPolarHBondContact CD2-O 3.43Å; F244-A278 HydrophobicContact CE1-CB 3.71Å; F244-A278 HydrophobicContact CE2-CB 4.03Å; F244-A278 WeakPolarHBondContact CE2-O 3.22Å; F244-A278 HydrophobicContact CZ-CB 3.52Å; L274-A278 WeakPolarHBondContact O-CB 3.46Å; L274-A278 PolarHBondContact O-N 3.42Å; Q275-A278 PolarHBondContact O-N 3.02Å; A278-G280 VanDerWaalsContact C-N 3.25Å; A278-G280 PolarHBondContact O-N 2.91Å; A278-V411 HydrophobicContact CB-CB 4.25Å; A278-V411 HydrophobicContact CB-CG1 4.17Å; A278-V411 HydrophobicContact CB-CG2 3.76Å; A278-I415 HydrophobicContact CB-CD1 4.06Å
279	E	98.5	Very high	97.9	Very high	2 Å²	2	7 Å²	7	1%	0.009	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.1	-178.7	-60.8	177.6	-179.8	0	0	112.7	F244 Q275 L277 W281 T427 P428	F244-E279 HydrophobicContact CE2-CG 3.99Å; F244-E279 HydrophobicContact CZ-CG 4.04Å; Q275-E279 HydrophobicContact CG-CG 4.17Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.32Å; Q275-E279 PolarHBondContact NE2-OE1 2.87Å; Q275-E279 WeakPolarHBondContact O-CB 3.19Å; Q275-E279 WeakPolarHBondContact O-CG 3.27Å; Q275-E279 PolarHBondContact O-N 3.27Å; L277-E279 VanDerWaalsContact C-N 3.32Å; L277-E279 PolarHBondContact O-N 3.23Å; E279-W281 PolarHBondContact O-N 3.45Å; E279-W281 PolarHBondContact OE2-NE1 2.67Å; E279-T427 HydrophobicContact CB-CG2 4.21Å; E279-T427 HydrophobicContact CG-CG2 3.81Å; E279-P428 WeakPolarHBondContact O-CD 3.45Å; E279-P428 VanDerWaalsContact O-CG 3.3Å; E279-P428 WeakPolarHBondContact O-CG 3.29Å
280	G	97.4	Very high	97.9	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.01	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	16.7	174.9	0	0	0	0	0	115.6	R241 L277 A278 A282 T283	R241-G280 WeakPolarHBondContact O-CA 3.16Å; L277-G280 PolarHBondContact O-N 2.94Å; A278-G280 VanDerWaalsContact C-N 3.25Å; A278-G280 PolarHBondContact O-N 2.91Å; G280-A282 PolarHBondContact O-N 3.47Å; G280-A282 VanDerWaalsContact O-N 3.14Å; G280-T283 WeakPolarHBondContact O-CB 3.17Å; G280-T283 PolarHBondContact O-N 3.37Å; G280-T283 VanDerWaalsContact O-N 3.08Å; G280-T283 PolarHBondContact O-OG1 3.46Å
281	W	98	Very high	97.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.7	170.3	-65.3	102.1	0	0	0	112.5	V276 E279 K426 P428 L431 H479 F518 W532 S536 A540	V276-W281 HydrophobicContact CG1-CB 3.97Å; V276-W281 WeakPolarHBondContact O-CB 3.03Å; V276-W281 PolarHBondContact O-N 3.36Å; V276-W281 VanDerWaalsContact O-N 3.15Å; E279-W281 PolarHBondContact O-N 3.45Å; E279-W281 PolarHBondContact OE2-NE1 2.67Å; W281-K426 WeakPolarHBondContact CZ2-O 3.47Å; W281-P428 HydrophobicContact CD2-CG 3.63Å; W281-P428 HydrophobicContact CE3-CG 3.78Å; W281-P428 HydrophobicContact CG-CG 4.16Å; W281-P428 HydrophobicContact CH2-CG 4Å; W281-P428 HydrophobicContact CZ2-CG 3.89Å; W281-P428 HydrophobicContact CZ3-CG 3.96Å; W281-L431 HydrophobicContact CH2-CD1 3.67Å; W281-L431 HydrophobicContact CZ2-CD1 4.37Å; W281-H479 AromaticContact CH2-CE1 3.58Å; W281-F518 HydrophobicContact CB-CE2 4.48Å; W281-F518 HydrophobicContact CD2-CD2 4.09Å; W281-F518 AromaticContact CD2-CE2 3.85Å; W281-F518 HydrophobicContact CD2-CE2 3.85Å; W281-F518 HydrophobicContact CE3-CD2 4.1Å; W281-F518 AromaticContact CE3-CE2 3.85Å; W281-F518 HydrophobicContact CE3-CE2 3.85Å; W281-F518 HydrophobicContact CG-CE2 4.14Å; W281-F518 HydrophobicContact CH2-CD2 4.46Å; W281-F518 HydrophobicContact CZ2-CD2 4.43Å; W281-F518 HydrophobicContact CZ3-CD2 4.3Å; W281-F518 HydrophobicContact CZ3-CE2 4.45Å; W281-W532 HydrophobicContact CB-CH2 4.22Å; W281-S536 WeakPolarHBondContact CZ3-O 3.47Å; W281-A540 HydrophobicContact CH2-CB 4.23Å; W281-A540 HydrophobicContact CZ3-CB 3.99Å
282	A	97.3	Very high	97.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	18.3	179.5	0	0	0	0	0	114.4	V276 L277 G280 L285 I336 W532 R535	V276-A282 HydrophobicContact CG1-CB 4.3Å; L277-A282 HydrophobicContact CD2-CB 4Å; G280-A282 PolarHBondContact O-N 3.47Å; G280-A282 VanDerWaalsContact O-N 3.14Å; A282-L285 HydrophobicContact CB-CD1 4.07Å; A282-L285 WeakPolarHBondContact O-CG 3.04Å; A282-L285 PolarHBondContact O-N 2.96Å; A282-I336 HydrophobicContact CB-CD1 3.46Å; A282-I336 VanDerWaalsContact CB-CD1 3.46Å; A282-W532 HydrophobicContact CB-CH2 3.98Å; A282-W532 HydrophobicContact CB-CZ3 4.21Å; A282-R535 PolarHBondContact O-NH2 3.12Å
283	T	94.4	Very high	97.6	Very high	19 Å²	19	10.9 Å²	10.9	12%	0.117	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.1	127.1	173.7	-66.2	0	0	0	0	110.9	A239 R241 G280 W324 R535	A239-T283 WeakPolarHBondContact O-CG2 3.31Å; R241-T283 HydrophobicContact CB-CG2 4.12Å; R241-T283 PolarHBondContact N-OG1 3.48Å; G280-T283 WeakPolarHBondContact O-CB 3.17Å; G280-T283 PolarHBondContact O-N 3.37Å; G280-T283 VanDerWaalsContact O-N 3.08Å; G280-T283 PolarHBondContact O-OG1 3.46Å; T283-W324 HydrophobicContact CG2-CZ2 4.03Å; T283-R535 PolarHBondContact O-NH1 3.44Å; T283-R535 PolarHBondContact O-NH2 3.29Å
284	P	93.5	Very high	97.6	Very high	4 Å²	4	10.4 Å²	10.4	3%	0.026	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	cis	-101.9	14.3	18.6	40.6	-40.2	0	0	0	115.1	R241 S286 L303 L306 W324 I330	R241-P284 VanDerWaalsContact CD-O 3.22Å; R241-P284 WeakPolarHBondContact CD-O 3.4Å; R241-P284 PolarHBondContact NH1-O 2.92Å; P284-S286 PolarHBondContact O-N 3.35Å; P284-L303 HydrophobicContact CG-CD1 4.49Å; P284-L306 HydrophobicContact CB-CD1 3.9Å; P284-L306 HydrophobicContact CG-CD1 3.79Å; P284-L306 HydrophobicContact CG-CD2 3.67Å; P284-L306 HydrophobicContact CG-CG 4.31Å; P284-W324 HydrophobicContact CB-CB 4.43Å; P284-W324 HydrophobicContact CB-CD2 4.38Å; P284-W324 HydrophobicContact CB-CG 3.72Å; P284-I330 HydrophobicContact CG-CG1 4.46Å
285	L	96.9	Very high	97.6	Very high	10 Å²	10	13.2 Å²	13.2	5%	0.052	7%	0.065	C	C	.	.			trans	-55.4	131.2	-175.4	-67.8	-179.9	0	0	0	111.9	L277 A282 G287 M289 Q293 L303 I336	L277-L285 HydrophobicContact CD2-CB 3.99Å; L277-L285 HydrophobicContact CD2-CD1 4.11Å; A282-L285 HydrophobicContact CB-CD1 4.07Å; A282-L285 WeakPolarHBondContact O-CG 3.04Å; A282-L285 PolarHBondContact O-N 2.96Å; L285-G287 VanDerWaalsContact C-N 3.26Å; L285-M289 HydrophobicContact CD1-CE 3.79Å; L285-M289 HydrophobicContact CD1-CG 3.97Å; L285-M289 HydrophobicContact CD2-CG 4.14Å; L285-Q293 HydrophobicContact CD2-CB 4.43Å; L285-Q293 HydrophobicContact CD2-CG 4.14Å; L285-L303 HydrophobicContact CD2-CD1 3.7Å; L285-L303 HydrophobicContact CG-CD1 4.27Å; L285-I336 HydrophobicContact CD1-CB 4.35Å; L285-I336 HydrophobicContact CD1-CD1 4.19Å
286	S	96.8	Very high	97.5	Very high	18 Å²	18	13.7 Å²	13.7	13%	0.126	7%	0.067	C	C	.	.			trans	-79	-8.6	175.5	62.1	0	0	0	0	113.7	R241 L243 P284 D322 D408 V409	R241-S286 VanDerWaalsContact CZ-CB 3.43Å; L243-S286 WeakPolarHBondContact CD1-O 3.37Å; P284-S286 PolarHBondContact O-N 3.35Å; S286-D322 WeakPolarHBondContact CB-OD2 3.43Å; S286-D408 WeakPolarHBondContact CB-OD1 3.36Å; S286-D408 PolarHBondContact OG-OD1 3.23Å; S286-V409 PolarHBondContact O-N 2.98Å
287	G	98.4	Very high	97.4	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.01	7%	0.068	C	C	.	.	S	Bend	trans	167.7	-155.1	-175	0	0	0	0	0	111.4	L277 L285 G407	L277-G287 VanDerWaalsContact CD2-O 3.28Å; L277-G287 WeakPolarHBondContact CD2-O 3.27Å; L285-G287 VanDerWaalsContact C-N 3.26Å; G287-G407 WeakPolarHBondContact CA-O 3.26Å
288	F	98.8	Very high	97.4	Very high	3 Å²	3	14.7 Å²	14.7	1%	0.013	7%	0.073	C	C	.	.	S	Bend	trans	-65.6	138.2	174.3	-67.7	-75.7	0	0	0	110	W273 L274 L277 R290 I336 L338 L356 L366 L405 G406 G407 V409	W273-F288 HydrophobicContact CB-CE1 4.07Å; L274-F288 HydrophobicContact CB-CZ 4.38Å; L274-F288 HydrophobicContact CD1-CE2 4.34Å; L277-F288 HydrophobicContact CD1-CD1 3.7Å; L277-F288 HydrophobicContact CD1-CD2 4.21Å; L277-F288 HydrophobicContact CD1-CE1 3.78Å; L277-F288 HydrophobicContact CD1-CE2 4.27Å; L277-F288 HydrophobicContact CD1-CG 3.94Å; L277-F288 HydrophobicContact CD1-CZ 4.07Å; F288-R290 PolarHBondContact O-N 2.8Å; F288-I336 HydrophobicContact CD1-CG2 4.39Å; F288-L338 HydrophobicContact CB-CB 4.34Å; F288-L338 HydrophobicContact CD1-CB 3.84Å; F288-L338 HydrophobicContact CD2-CB 3.92Å; F288-L338 HydrophobicContact CD2-CD2 4.12Å; F288-L338 HydrophobicContact CE1-CB 4.05Å; F288-L338 HydrophobicContact CE2-CB 4.14Å; F288-L338 HydrophobicContact CE2-CD2 3.99Å; F288-L338 HydrophobicContact CG-CB 3.77Å; F288-L338 HydrophobicContact CZ-CB 4.19Å; F288-L338 HydrophobicContact CZ-CD1 4.48Å; F288-L356 HydrophobicContact CE2-CD1 3.97Å; F288-L366 HydrophobicContact CD2-CD1 4.31Å; F288-L405 WeakPolarHBondContact CB-O 3.08Å; F288-G406 VanDerWaalsContact O-CA 3.31Å; F288-G406 WeakPolarHBondContact O-CA 3.25Å; F288-G407 PolarHBondContact O-N 3.32Å; F288-G407 VanDerWaalsContact O-N 3.09Å; F288-V409 HydrophobicContact CD2-CG2 4.08Å
289	M	98.7	Very high	97.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-56.8	133.3	-173.1	-69.8	178	173.8	0	0	112	L285 Q293 Q332 I334 I336 V337 G406	L285-M289 HydrophobicContact CD1-CE 3.79Å; L285-M289 HydrophobicContact CD1-CG 3.97Å; L285-M289 HydrophobicContact CD2-CG 4.14Å; M289-Q293 HydrophobicContact CB-CB 3.98Å; M289-Q293 HydrophobicContact CG-CB 3.89Å; M289-Q293 HydrophobicContact SD-CB 4.37Å; M289-Q332 HydrophobicContact CE-CG 3.34Å; M289-I334 WeakPolarHBondContact CE-O 3.4Å; M289-I336 WeakPolarHBondContact CG-O 3.31Å; M289-I336 PolarHBondContact N-O 3.23Å; M289-I336 PolarHBondContact SD-N 2.81Å; M289-V337 HydrophobicContact CB-CG1 4.15Å; M289-G406 WeakPolarHBondContact O-CA 3.46Å
290	R	98	Very high	97.2	Very high	9 Å²	9	24.6 Å²	24.6	3%	0.034	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-72	171.7	162.5	-61.1	175.8	-178.8	-74	-2.9	110.3	F288 R292 Q293 Y294 H308 D368 E370 D408	F288-R290 PolarHBondContact O-N 2.8Å; R290-R292 PolarHBondContact O-N 3.04Å; R290-Q293 PolarHBondContact O-N 2.59Å; R290-Y294 WeakPolarHBondContact O-CB 3.37Å; R290-Y294 PolarHBondContact O-N 2.94Å; R290-H308 WeakPolarHBondContact CD-O 3.47Å; R290-H308 PolarHBondContact NE-ND1 2.95Å; R290-D368 VanDerWaalsContact CZ-O 3.28Å; R290-D368 IonicContact CZ-OD2 2.76Å; R290-D368 PolarHBondContact NH1-O 2.86Å; R290-D368 IonicContact NH1-OD2 3Å; R290-D368 PolarHBondContact NH2-O 2.81Å; R290-D368 IonicContact NH2-OD2 3.85Å; R290-D368 PolarHBondContact NH2-OD2 3.49Å; R290-D368 VanDerWaalsContact NH2-OD2 3.09Å; R290-E370 VanDerWaalsContact CB-OE2 3.32Å; R290-E370 WeakPolarHBondContact CB-OE2 3.41Å; R290-E370 WeakPolarHBondContact CG-OE2 3.46Å; R290-E370 IonicContact NH1-OE2 2.67Å; R290-D408 IonicContact NH2-OD1 2.87Å; R290-D408 IonicContact NH2-OD2 3.67Å; R290-D408 PolarHBondContact NH2-OD2 2.92Å; R290-D408 VanDerWaalsContact NH2-OD2 3.11Å
291	E	97.5	Very high	97.2	Very high	71 Å²	71	25.1 Å²	25.1	33%	0.332	12%	0.123	S	C	.	.	H	α-helix	trans	-57.9	-38.6	-176.4	-172.6	176.3	-144.4	0	0	111.4	Y294 L295 V310 E370 F372	E291-Y294 WeakPolarHBondContact O-CB 3.45Å; E291-Y294 PolarHBondContact O-N 3.46Å; E291-L295 HydrophobicContact CG-CD1 3.99Å; E291-L295 HydrophobicContact CG-CG 4.28Å; E291-L295 WeakPolarHBondContact O-CB 3.16Å; E291-L295 VanDerWaalsContact O-CG 3.32Å; E291-L295 WeakPolarHBondContact O-CG 3.31Å; E291-L295 PolarHBondContact O-N 3.41Å; E291-V310 HydrophobicContact CB-CG2 4.11Å; E291-V310 HydrophobicContact CG-CG2 3.96Å; E291-E370 WeakPolarHBondContact CB-OE1 3.46Å; E291-E370 PolarHBondContact N-OE1 3.03Å; E291-F372 HydrophobicContact CB-CB 4.09Å; E291-F372 HydrophobicContact CB-CD1 3.92Å; E291-F372 HydrophobicContact CB-CD2 3.93Å; E291-F372 HydrophobicContact CB-CE1 4.32Å; E291-F372 HydrophobicContact CB-CE2 4.31Å; E291-F372 HydrophobicContact CB-CG 3.72Å; E291-F372 HydrophobicContact CB-CZ 4.5Å; E291-F372 HydrophobicContact CG-CB 4.23Å; E291-F372 HydrophobicContact CG-CD2 3.86Å; E291-F372 HydrophobicContact CG-CE2 4.38Å; E291-F372 HydrophobicContact CG-CG 4.03Å
292	R	95.7	Very high	97.1	Very high	46 Å²	46	26.4 Å²	26.4	17%	0.174	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-53.3	178.4	-167.3	-170.6	-175.3	73.3	6.8	112.5	R290 Y294 L295 Q296 D305 K307 K309 V310	R290-R292 PolarHBondContact O-N 3.04Å; R292-Y294 VanDerWaalsContact C-N 3.31Å; R292-Y294 PolarHBondContact O-N 3Å; R292-L295 PolarHBondContact O-N 3.43Å; R292-Q296 VanDerWaalsContact O-CG 3.31Å; R292-Q296 WeakPolarHBondContact O-CG 3.48Å; R292-Q296 PolarHBondContact O-N 2.88Å; R292-D305 WeakPolarHBondContact CD-OD1 3.22Å; R292-D305 IonicContact CZ-OD1 2.82Å; R292-D305 IonicContact CZ-OD2 3.79Å; R292-D305 VanDerWaalsContact CZ-OD2 3.3Å; R292-D305 VanDerWaalsContact NE-CG 3.29Å; R292-D305 IonicContact NE-OD1 3.93Å; R292-D305 PolarHBondContact NE-OD1 3.11Å; R292-D305 IonicContact NE-OD2 3.55Å; R292-D305 PolarHBondContact NE-OD2 3.44Å; R292-D305 VanDerWaalsContact NE-OD2 3.1Å; R292-D305 IonicContact NH2-OD1 2.92Å; R292-D305 IonicContact NH2-OD2 3.94Å; R292-D305 PolarHBondContact NH2-OD2 2.85Å; R292-K307 WeakPolarHBondContact CD-O 3.36Å; R292-K309 VanDerWaalsContact CD-O 3.32Å; R292-K309 WeakPolarHBondContact CD-O 3.34Å; R292-K309 PolarHBondContact NH1-O 3.46Å; R292-V310 HydrophobicContact CB-CG2 4.11Å
293	Q	97.4	Very high	96.9	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-36.2	179.1	-72.8	74.8	42	0	0	111.4	L285 M289 R290 Q296 S297 L303 K307	L285-Q293 HydrophobicContact CD2-CB 4.43Å; L285-Q293 HydrophobicContact CD2-CG 4.14Å; M289-Q293 HydrophobicContact CB-CB 3.98Å; M289-Q293 HydrophobicContact CG-CB 3.89Å; M289-Q293 HydrophobicContact SD-CB 4.37Å; R290-Q293 PolarHBondContact O-N 2.59Å; Q293-Q296 PolarHBondContact O-N 3.32Å; Q293-S297 WeakPolarHBondContact O-CB 3.32Å; Q293-S297 PolarHBondContact O-N 3.24Å; Q293-L303 HydrophobicContact CB-CD2 3.84Å; Q293-L303 HydrophobicContact CG-CD2 3.9Å; Q293-K307 PolarHBondContact NE2-O 3.44Å
294	Y	98.6	Very high	96.7	Very high	13 Å²	13	28.6 Å²	28.6	5%	0.051	14%	0.139	C	C	.	.	H	α-helix	trans	-58.3	-51.2	174.6	173	-107.6	0	0	0	111.5	R290 E291 R292 S297 M298 P335 V337 F372 H374 R379 L404	R290-Y294 WeakPolarHBondContact O-CB 3.37Å; R290-Y294 PolarHBondContact O-N 2.94Å; E291-Y294 WeakPolarHBondContact O-CB 3.45Å; E291-Y294 PolarHBondContact O-N 3.46Å; R292-Y294 VanDerWaalsContact C-N 3.31Å; R292-Y294 PolarHBondContact O-N 3Å; Y294-S297 PolarHBondContact O-N 3.47Å; Y294-M298 HydrophobicContact CD1-CG 4.48Å; Y294-M298 HydrophobicContact CD2-CG 3.97Å; Y294-M298 HydrophobicContact CE1-CG 4.2Å; Y294-M298 HydrophobicContact CE2-CG 3.62Å; Y294-M298 HydrophobicContact CE2-SD 4.06Å; Y294-M298 HydrophobicContact CG-CG 4.39Å; Y294-M298 VanDerWaalsContact O-CB 3.31Å; Y294-M298 WeakPolarHBondContact O-CB 3.23Å; Y294-M298 WeakPolarHBondContact O-CG 3.48Å; Y294-M298 PolarHBondContact O-N 3.22Å; Y294-P335 HydrophobicContact CD2-CB 3.86Å; Y294-P335 HydrophobicContact CD2-CG 4.1Å; Y294-P335 HydrophobicContact CE2-CB 3.94Å; Y294-P335 HydrophobicContact CE2-CG 3.89Å; Y294-V337 HydrophobicContact CD2-CG1 3.89Å; Y294-F372 HydrophobicContact CD1-CD2 4.42Å; Y294-F372 AromaticContact CD1-CE2 3.56Å; Y294-F372 HydrophobicContact CD1-CE2 3.56Å; Y294-F372 HydrophobicContact CD1-CZ 4.34Å; Y294-F372 HydrophobicContact CE1-CE2 4.19Å; Y294-F372 AromaticContact CG-CE2 3.72Å; Y294-F372 HydrophobicContact CG-CE2 3.72Å; Y294-F372 HydrophobicContact CG-CZ 4.06Å; Y294-H374 PolarHBondContact OH-O 3.41Å; Y294-R379 HydrophobicContact CE2-CG 4.43Å; Y294-R379 WeakPolarHBondContact OH-CB 3.38Å; Y294-L404 HydrophobicContact CD2-CD1 4.11Å; Y294-L404 HydrophobicContact CE2-CD1 3.96Å; Y294-L404 HydrophobicContact CG-CD1 4.47Å
295	L	97.9	Very high	96.4	Very high	59 Å²	59	29.6 Å²	29.6	31%	0.309	15%	0.145	S	C	.	.	H	α-helix	trans	-63.8	-42.6	179.2	-69.3	174.5	0	0	0	111.9	E291 R292 S297 M298 H299 V310	E291-L295 HydrophobicContact CG-CD1 3.99Å; E291-L295 HydrophobicContact CG-CG 4.28Å; E291-L295 WeakPolarHBondContact O-CB 3.16Å; E291-L295 VanDerWaalsContact O-CG 3.32Å; E291-L295 WeakPolarHBondContact O-CG 3.31Å; E291-L295 PolarHBondContact O-N 3.41Å; R292-L295 PolarHBondContact O-N 3.43Å; L295-S297 PolarHBondContact O-N 3.05Å; L295-M298 PolarHBondContact O-N 3.29Å; L295-H299 WeakPolarHBondContact O-CB 3.43Å; L295-H299 PolarHBondContact O-CD2 3.16Å; L295-H299 VanDerWaalsContact O-CD2 3.24Å; L295-H299 PolarHBondContact O-N 3.08Å; L295-V310 HydrophobicContact CD1-CG2 4.11Å
296	Q	97.1	Very high	96	Very high	11 Å²	11	29.6 Å²	29.6	5%	0.051	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-46.1	177.1	-68.9	176.8	10.9	0	0	111.6	R292 Q293 M298 H299 F300 G301 Q302 D305	R292-Q296 VanDerWaalsContact O-CG 3.31Å; R292-Q296 WeakPolarHBondContact O-CG 3.48Å; R292-Q296 PolarHBondContact O-N 2.88Å; Q293-Q296 PolarHBondContact O-N 3.32Å; Q296-M298 PolarHBondContact O-N 3.5Å; Q296-H299 PolarHBondContact O-N 3.49Å; Q296-F300 HydrophobicContact CB-CD2 4.28Å; Q296-F300 HydrophobicContact CG-CD2 4.47Å; Q296-F300 WeakPolarHBondContact O-CA 3.37Å; Q296-F300 WeakPolarHBondContact O-CB 3.34Å; Q296-F300 PolarHBondContact O-N 2.99Å; Q296-G301 PolarHBondContact O-N 3.13Å; Q296-Q302 CarbonylContact C-O 3.48Å; Q296-Q302 VanDerWaalsContact CB-O 3.27Å; Q296-Q302 WeakPolarHBondContact CB-O 3.47Å; Q296-D305 PolarHBondContact NE2-OD2 3.44Å
297	S	98	Very high	95.6	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-47.1	176.4	-178	0	0	0	0	111.8	Q293 Y294 L295 H299 G301 Q302 Q332 I334	Q293-S297 WeakPolarHBondContact O-CB 3.32Å; Q293-S297 PolarHBondContact O-N 3.24Å; Y294-S297 PolarHBondContact O-N 3.47Å; L295-S297 PolarHBondContact O-N 3.05Å; S297-H299 PolarHBondContact O-N 3.18Å; S297-G301 VanDerWaalsContact O-CA 3.25Å; S297-G301 WeakPolarHBondContact O-CA 3.35Å; S297-G301 PolarHBondContact O-N 3.33Å; S297-Q302 PolarHBondContact N-O 3.39Å; S297-Q332 WeakPolarHBondContact CA-O 3.25Å; S297-Q332 WeakPolarHBondContact CB-O 3.1Å; S297-Q332 PolarHBondContact OG-O 2.96Å; S297-I334 PolarHBondContact OG-O 2.84Å; S297-I334 VanDerWaalsContact OG-O 3.09Å
298	M	97.3	Very high	95.1	Very high	23 Å²	23	32.7 Å²	32.7	11%	0.113	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-33.2	-176.9	-75.6	-61.9	-58.2	0	0	114.3	Y294 L295 Q296 P335 R379 R382	Y294-M298 HydrophobicContact CD1-CG 4.48Å; Y294-M298 HydrophobicContact CD2-CG 3.97Å; Y294-M298 HydrophobicContact CE1-CG 4.2Å; Y294-M298 HydrophobicContact CE2-CG 3.62Å; Y294-M298 HydrophobicContact CE2-SD 4.06Å; Y294-M298 HydrophobicContact CG-CG 4.39Å; Y294-M298 VanDerWaalsContact O-CB 3.31Å; Y294-M298 WeakPolarHBondContact O-CB 3.23Å; Y294-M298 WeakPolarHBondContact O-CG 3.48Å; Y294-M298 PolarHBondContact O-N 3.22Å; L295-M298 PolarHBondContact O-N 3.29Å; Q296-M298 PolarHBondContact O-N 3.5Å; M298-P335 HydrophobicContact CG-CG 3.91Å; M298-P335 HydrophobicContact SD-CG 3.23Å; M298-P335 WeakPolarHBondContact SD-CG 3.29Å; M298-R379 HydrophobicContact CE-CB 4.32Å; M298-R379 HydrophobicContact CE-CG 4.13Å; M298-R379 WeakPolarHBondContact CE-O 3.42Å; M298-R379 HydrophobicContact SD-CG 4.12Å; M298-R382 HydrophobicContact CE-CB 3.34Å; M298-R382 HydrophobicContact CE-CG 4.09Å
299	H	97.4	Very high	94.5	Very high	87 Å²	87	38.4 Å²	38.4	40%	0.403	18%	0.181	S	C	.	.	H	α-helix	trans	-100.8	-33.5	-174.1	-75.5	-89.8	0	0	0	113.9	L295 Q296 S297 R382	L295-H299 WeakPolarHBondContact O-CB 3.43Å; L295-H299 PolarHBondContact O-CD2 3.16Å; L295-H299 VanDerWaalsContact O-CD2 3.24Å; L295-H299 PolarHBondContact O-N 3.08Å; Q296-H299 PolarHBondContact O-N 3.49Å; S297-H299 PolarHBondContact O-N 3.18Å; H299-R382 PolarHBondContact CE1-NH2 3.38Å
300	F	96.8	Very high	93.8	Very high	122 Å²	122	41.7 Å²	41.7	54%	0.535	20%	0.2	S	C	.	.	H	α-helix	trans	-116.2	-14.7	-173	-47.4	-55.5	0	0	0	112.5	Q296 Q302 L304	Q296-F300 HydrophobicContact CB-CD2 4.28Å; Q296-F300 HydrophobicContact CG-CD2 4.47Å; Q296-F300 WeakPolarHBondContact O-CA 3.37Å; Q296-F300 WeakPolarHBondContact O-CB 3.34Å; Q296-F300 PolarHBondContact O-N 2.99Å; F300-Q302 HydrophobicContact CB-CB 4.38Å; F300-Q302 PolarHBondContact O-N 2.94Å; F300-L304 HydrophobicContact CD2-CD1 3.93Å; F300-L304 HydrophobicContact CE2-CD1 4.22Å
301	G	97.1	Very high	92.7	Very high	13 Å²	13	42.9 Å²	42.9	13%	0.134	21%	0.212	C	C	.	.	S	Bend	trans	63.2	22.8	-171.7	0	0	0	0	0	112.8	Q296 S297 Q332 S333	Q296-G301 PolarHBondContact O-N 3.13Å; S297-G301 VanDerWaalsContact O-CA 3.25Å; S297-G301 WeakPolarHBondContact O-CA 3.35Å; S297-G301 PolarHBondContact O-N 3.33Å; G301-Q332 CarbonylContact C-O 3.46Å; G301-Q332 VanDerWaalsContact C-O 3.32Å; G301-Q332 CarbonylContact O-C 3.6Å; G301-Q332 VanDerWaalsContact O-C 3.25Å; G301-Q332 PolarHBondContact O-N 3.44Å; G301-S333 PolarHBondContact O-N 2.8Å
302	Q	95.6	Very high	91.3	Very high	26 Å²	26	47.3 Å²	47.3	12%	0.121	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.6	-176	-66	175.9	-93.7	0	0	110.3	Q296 S297 F300 L304 D329 I330 P577	Q296-Q302 CarbonylContact C-O 3.48Å; Q296-Q302 VanDerWaalsContact CB-O 3.27Å; Q296-Q302 WeakPolarHBondContact CB-O 3.47Å; S297-Q302 PolarHBondContact N-O 3.39Å; F300-Q302 HydrophobicContact CB-CB 4.38Å; F300-Q302 PolarHBondContact O-N 2.94Å; Q302-L304 HydrophobicContact CB-CD2 4.03Å; Q302-D329 PolarHBondContact NE2-OD2 3.13Å; Q302-I330 CarbonylContact C-O 3.56Å; Q302-I330 WeakPolarHBondContact CA-O 3.33Å; Q302-I330 WeakPolarHBondContact CB-O 3.42Å; Q302-P577 HydrophobicContact CG-CB 4.49Å; Q302-P577 HydrophobicContact CG-CG 3.83Å; Q302-P577 VanDerWaalsContact OE1-CG 3.23Å
303	L	93.4	Very high	89.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.4	153.7	-53.2	179.1	0	0	0	107.1	P284 L285 Q293 L306 M326 D329 I330 Q332	P284-L303 HydrophobicContact CG-CD1 4.49Å; L285-L303 HydrophobicContact CD2-CD1 3.7Å; L285-L303 HydrophobicContact CG-CD1 4.27Å; Q293-L303 HydrophobicContact CB-CD2 3.84Å; Q293-L303 HydrophobicContact CG-CD2 3.9Å; L303-L306 HydrophobicContact CD1-CD2 4.29Å; L303-M326 HydrophobicContact CB-CE 4.37Å; L303-M326 WeakPolarHBondContact O-CE 3.38Å; L303-D329 CarbonylContact O-C 3.54Å; L303-D329 WeakPolarHBondContact O-CA 3.22Å; L303-I330 HydrophobicContact CB-CB 4.3Å; L303-I330 PolarHBondContact N-O 3.21Å; L303-I330 PolarHBondContact O-N 3.48Å; L303-Q332 HydrophobicContact CD1-CB 4.38Å; L303-Q332 HydrophobicContact CD1-CG 4.39Å; L303-Q332 HydrophobicContact CD2-CB 4.16Å; L303-Q332 HydrophobicContact CD2-CG 4.12Å; L303-Q332 HydrophobicContact CG-CB 3.76Å; L303-Q332 HydrophobicContact CG-CG 4.08Å
304	L	89.9	Confident	87.2	Confident	67 Å²	67	56 Å²	56	35%	0.351	31%	0.305	S	S	.	.			trans	-107.2	-21.3	-179.4	-54.1	179.8	0	0	0	112.1	F300 Q302 M326 D329	F300-L304 HydrophobicContact CD2-CD1 3.93Å; F300-L304 HydrophobicContact CE2-CD1 4.22Å; Q302-L304 HydrophobicContact CB-CD2 4.03Å; L304-M326 WeakPolarHBondContact O-CE 3.32Å; L304-D329 HydrophobicContact CD2-CB 3.99Å; L304-D329 VanDerWaalsContact CD2-CG 3.41Å; L304-D329 WeakPolarHBondContact CD2-OD2 3.45Å
305	D	86.8	Confident	85.6	Confident	25 Å²	25	60.8 Å²	60.8	13%	0.134	33%	0.328	C	S	.	.			trans	-162.6	175.4	173.1	63.8	72.2	0	0	0	109.6	R292 Q296 K307	R292-D305 WeakPolarHBondContact CD-OD1 3.22Å; R292-D305 IonicContact CZ-OD1 2.82Å; R292-D305 IonicContact CZ-OD2 3.79Å; R292-D305 VanDerWaalsContact CZ-OD2 3.3Å; R292-D305 VanDerWaalsContact NE-CG 3.29Å; R292-D305 IonicContact NE-OD1 3.93Å; R292-D305 PolarHBondContact NE-OD1 3.11Å; R292-D305 IonicContact NE-OD2 3.55Å; R292-D305 PolarHBondContact NE-OD2 3.44Å; R292-D305 VanDerWaalsContact NE-OD2 3.1Å; R292-D305 IonicContact NH2-OD1 2.92Å; R292-D305 IonicContact NH2-OD2 3.94Å; R292-D305 PolarHBondContact NH2-OD2 2.85Å; Q296-D305 PolarHBondContact NE2-OD2 3.44Å; D305-K307 WeakPolarHBondContact OD1-CB 3.14Å; D305-K307 PolarHBondContact OD1-N 3.43Å
306	L	88.7	Confident	83.5	Confident	10 Å²	10	68 Å²	68	5%	0.052	36%	0.357	C	S	.	.			trans	-116.5	30.2	179.1	-53.9	177.7	0	0	0	112.8	P284 L303 D322 W324 M326	P284-L306 HydrophobicContact CB-CD1 3.9Å; P284-L306 HydrophobicContact CG-CD1 3.79Å; P284-L306 HydrophobicContact CG-CD2 3.67Å; P284-L306 HydrophobicContact CG-CG 4.31Å; L303-L306 HydrophobicContact CD1-CD2 4.29Å; L306-D322 HydrophobicContact CB-CB 3.68Å; L306-D322 HydrophobicContact CD1-CB 4.25Å; L306-D322 PolarHBondContact O-N 3.36Å; L306-D322 VanDerWaalsContact O-N 3.11Å; L306-W324 HydrophobicContact CD1-CB 3.85Å; L306-W324 HydrophobicContact CD1-CG 4.47Å; L306-M326 HydrophobicContact CD1-CB 4.3Å; L306-M326 HydrophobicContact CD1-SD 4.47Å; L306-M326 HydrophobicContact CD2-SD 4.03Å; L306-M326 HydrophobicContact CG-SD 3.86Å
307	K	89.3	Confident	81.6	Confident	63 Å²	63	69.7 Å²	69.7	27%	0.274	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-68.7	144.8	174.8	-63.6	178.8	179	-177.1	0	110.4	R292 Q293 D305 E321	R292-K307 WeakPolarHBondContact CD-O 3.36Å; Q293-K307 PolarHBondContact NE2-O 3.44Å; D305-K307 WeakPolarHBondContact OD1-CB 3.14Å; D305-K307 PolarHBondContact OD1-N 3.43Å; K307-E321 WeakPolarHBondContact CE-OE2 3.38Å; K307-E321 HydrophobicContact CG-CB 4.1Å; K307-E321 HydrophobicContact CG-CG 3.91Å
308	H	88	Confident	79.6	Confident	21 Å²	21	77.7 Å²	77.7	10%	0.097	41%	0.412	C	S	.	.	S	Bend	trans	-71.4	-38.1	-176.8	-72.4	-156.8	0	0	0	111.9	R290 K320 D368 D408	R290-H308 WeakPolarHBondContact CD-O 3.47Å; R290-H308 PolarHBondContact NE-ND1 2.95Å; H308-K320 PolarHBondContact CD2-O 2.72Å; H308-K320 PolarHBondContact N-O 3.4Å; H308-D368 IonicContact CE1-OD2 3.47Å; H308-D368 IonicContact ND1-OD2 3.68Å; H308-D368 PolarHBondContact ND1-OD2 3.17Å; H308-D408 IonicContact CE1-OD2 3.91Å
309	K	85.6	Confident	78	Confident	123 Å²	123	78.7 Å²	78.7	54%	0.535	42%	0.419	S	S	.	.	S	Bend	trans	-112.7	154.9	-169.4	-58.9	-170.6	-178.9	175.4	0	115	R292 D319	R292-K309 VanDerWaalsContact CD-O 3.32Å; R292-K309 WeakPolarHBondContact CD-O 3.34Å; R292-K309 PolarHBondContact NH1-O 3.46Å; K309-D319 WeakPolarHBondContact CB-OD2 3.33Å
310	V	83.6	Confident	76.7	Confident	70 Å²	70	81.6 Å²	81.6	42%	0.424	43%	0.43	S	S	.	.			trans	-75.6	131.2	168	-173.8	0	0	0	0	108.7	E291 R292 L295	E291-V310 HydrophobicContact CB-CG2 4.11Å; E291-V310 HydrophobicContact CG-CG2 3.96Å; R292-V310 HydrophobicContact CB-CG2 4.11Å; L295-V310 HydrophobicContact CD1-CG2 4.11Å
311	A	74.2	Confident	75.8	Confident	34 Å²	34	80.9 Å²	80.9	28%	0.281	43%	0.428	S	S	.	.			trans	-136.4	144.7	176.8	0	0	0	0	0	109.5
312	F	69.7	Low	75	Confident	165 Å²	165	81.3 Å²	81.3	72%	0.724	43%	0.428	S	S	*	.			trans	-75	153.7	174.5	-71.8	-79.6	0	0	0	111.3	G314 E315	F312-G314 PolarHBondContact O-N 3.11Å; F312-G314 VanDerWaalsContact O-N 3.08Å; F312-E315 HydrophobicContact CB-CG 4.19Å; F312-E315 PolarHBondContact N-OE2 3.13Å; F312-E315 PolarHBondContact O-N 3.38Å; F312-E315 VanDerWaalsContact O-N 3.07Å
313	V	53	Low	74	Confident	160 Å²	160	85.9 Å²	85.9	97%	0.97	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	117.1	175.3	178.4	0	0	0	0	109.5
314	G	52.8	Low	73.4	Confident	80 Å²	80	88.7 Å²	88.7	83%	0.825	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	-6	178.9	0	0	0	0	0	115.2	F312	F312-G314 PolarHBondContact O-N 3.11Å; F312-G314 VanDerWaalsContact O-N 3.08Å
315	E	66.3	Low	72.3	Confident	115 Å²	115	89.3 Å²	89.3	54%	0.537	48%	0.481	S	S	.	.			trans	-73.9	129.2	168.6	-72.9	-180	155.5	0	0	110	F312 S317	F312-E315 HydrophobicContact CB-CG 4.19Å; F312-E315 PolarHBondContact N-OE2 3.13Å; F312-E315 PolarHBondContact O-N 3.38Å; F312-E315 VanDerWaalsContact O-N 3.07Å; E315-S317 PolarHBondContact O-N 3.41Å
316	K	53	Low	71.4	Confident	209 Å²	209	90.4 Å²	90.4	91%	0.909	49%	0.486	S	S	*	.			trans	-72.8	114.1	166.5	-75.2	-172.5	176.7	-174.7	0	107.6
317	S	56.9	Low	69.8	Low	47 Å²	47	93.8 Å²	93.8	33%	0.329	50%	0.502	S	S	.	.			trans	-101.5	122.8	173	65.9	0	0	0	0	110.3	E315 D319	E315-S317 PolarHBondContact O-N 3.41Å; S317-D319 VanDerWaalsContact CB-OD2 3.22Å; S317-D319 WeakPolarHBondContact CB-OD2 3.48Å; S317-D319 PolarHBondContact O-N 2.52Å; S317-D319 VanDerWaalsContact O-N 3.14Å
318	D	56.4	Low	68.8	Low	171 Å²	171	95.7 Å²	95.7	91%	0.914	52%	0.515	S	S	*	.			trans	-79.6	30.9	162.9	-66.9	-25.3	0	0	0	110.6
319	D	63.9	Low	68.7	Low	45 Å²	45	98.2 Å²	98.2	24%	0.241	53%	0.529	C	S	.	.			trans	-72.9	139.2	-167.4	-79.6	-23.5	0	0	0	111.4	K309 S317 E321	K309-D319 WeakPolarHBondContact CB-OD2 3.33Å; S317-D319 VanDerWaalsContact CB-OD2 3.22Å; S317-D319 WeakPolarHBondContact CB-OD2 3.48Å; S317-D319 PolarHBondContact O-N 2.52Å; S317-D319 VanDerWaalsContact O-N 3.14Å; D319-E321 PolarHBondContact O-N 3.15Å
320	K	70.4	Confident	68.8	Low	148 Å²	148	94.5 Å²	94.5	64%	0.643	52%	0.515	S	S	*	.			trans	-61.6	123.9	166.6	-69.3	-176.8	179.8	178.7	0	108.5	H308	H308-K320 PolarHBondContact CD2-O 2.72Å; H308-K320 PolarHBondContact N-O 3.4Å
321	E	77.6	Confident	69.4	Low	106 Å²	106	91.3 Å²	91.3	50%	0.495	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-108	134.9	169.2	-174.8	158.4	-162.6	0	0	107.6	K307 D319 S323	K307-E321 WeakPolarHBondContact CE-OE2 3.38Å; K307-E321 HydrophobicContact CG-CB 4.1Å; K307-E321 HydrophobicContact CG-CG 3.91Å; D319-E321 PolarHBondContact O-N 3.15Å; E321-S323 PolarHBondContact O-N 2.79Å
322	D	79.3	Confident	70.5	Confident	23 Å²	23	89.7 Å²	89.7	12%	0.123	48%	0.482	C	S	.	.			trans	-61.3	130.4	173.4	-165.3	-51.9	0	0	0	109.1	R241 S286 L306 W324	R241-D322 IonicContact CZ-OD1 3.33Å; R241-D322 IonicContact CZ-OD2 3.85Å; R241-D322 IonicContact NH1-OD1 2.66Å; R241-D322 PolarHBondContact NH1-OD1 2.92Å; R241-D322 IonicContact NH1-OD2 3.21Å; R241-D322 PolarHBondContact NH1-OD2 3.44Å; R241-D322 IonicContact NH2-OD1 3.74Å; R241-D322 PolarHBondContact NH2-OD1 2.83Å; R241-D322 IonicContact NH2-OD2 3.67Å; R241-D322 PolarHBondContact NH2-OD2 2.8Å; S286-D322 WeakPolarHBondContact CB-OD2 3.43Å; L306-D322 HydrophobicContact CB-CB 3.68Å; L306-D322 HydrophobicContact CD1-CB 4.25Å; L306-D322 PolarHBondContact O-N 3.36Å; L306-D322 VanDerWaalsContact O-N 3.11Å; D322-W324 PolarHBondContact O-N 3.32Å; D322-W324 VanDerWaalsContact OD1-CB 3.28Å; D322-W324 WeakPolarHBondContact OD1-CB 3.46Å; D322-W324 PolarHBondContact OD1-N 2.94Å
323	S	76	Confident	71.8	Confident	121 Å²	121	82.1 Å²	82.1	85%	0.846	45%	0.45	S	S	*	.			trans	-74.5	0.2	-178.9	61.8	0	0	0	0	113.3	E321	E321-S323 PolarHBondContact O-N 2.79Å
324	W	79.6	Confident	74	Confident	60 Å²	60	74.5 Å²	74.5	23%	0.227	40%	0.403	C	S	.	.	S	Bend	trans	-59.5	129.5	176.6	-170.9	-82.4	0	0	0	110.5	A239 R241 T283 P284 L306 D322 M326	A239-W324 HydrophobicContact CB-CH2 4.15Å; A239-W324 HydrophobicContact CB-CZ2 3.93Å; R241-W324 VanDerWaalsContact CA-CH2 3.47Å; R241-W324 HydrophobicContact CB-CD2 4.18Å; R241-W324 HydrophobicContact CB-CE3 3.96Å; R241-W324 HydrophobicContact CB-CH2 3.47Å; R241-W324 VanDerWaalsContact CB-CH2 3.47Å; R241-W324 HydrophobicContact CB-CZ2 3.7Å; R241-W324 HydrophobicContact CB-CZ3 3.61Å; R241-W324 HydrophobicContact CG-CD2 4.32Å; R241-W324 HydrophobicContact CG-CE3 3.75Å; R241-W324 HydrophobicContact CG-CH2 4Å; R241-W324 HydrophobicContact CG-CZ3 3.57Å; T283-W324 HydrophobicContact CG2-CZ2 4.03Å; P284-W324 HydrophobicContact CB-CB 4.43Å; P284-W324 HydrophobicContact CB-CD2 4.38Å; P284-W324 HydrophobicContact CB-CG 3.72Å; L306-W324 HydrophobicContact CD1-CB 3.85Å; L306-W324 HydrophobicContact CD1-CG 4.47Å; D322-W324 PolarHBondContact O-N 3.32Å; D322-W324 VanDerWaalsContact OD1-CB 3.28Å; D322-W324 WeakPolarHBondContact OD1-CB 3.46Å; D322-W324 PolarHBondContact OD1-N 2.94Å; W324-M326 PolarHBondContact O-N 3.42Å
325	P	67.8	Low	76.1	Confident	79 Å²	79	70.8 Å²	70.8	51%	0.513	37%	0.365	S	S	.	.			trans	-64.4	115.2	-175.5	25.3	-34.1	0	0	0	110.6	M327	P325-M327 HydrophobicContact CB-CE 4.13Å
326	M	67.9	Low	77.7	Confident	48 Å²	48	65.3 Å²	65.3	24%	0.236	34%	0.339	C	S	.	.			trans	-123.1	120.8	173.8	-173.5	171.3	160	0	0	109.3	L303 L304 L306 W324 I330	L303-M326 HydrophobicContact CB-CE 4.37Å; L303-M326 WeakPolarHBondContact O-CE 3.38Å; L304-M326 WeakPolarHBondContact O-CE 3.32Å; L306-M326 HydrophobicContact CD1-CB 4.3Å; L306-M326 HydrophobicContact CD1-SD 4.47Å; L306-M326 HydrophobicContact CD2-SD 4.03Å; L306-M326 HydrophobicContact CG-SD 3.86Å; W324-M326 PolarHBondContact O-N 3.42Å; M326-I330 HydrophobicContact CE-CG1 4.15Å; M326-I330 HydrophobicContact CG-CG1 4.33Å; M326-I330 HydrophobicContact SD-CG1 4.28Å
327	M	54.9	Low	79.9	Confident	82 Å²	82	55.7 Å²	55.7	40%	0.404	30%	0.298	S	S	.	.			trans	-119.5	-29	-163.4	-64.3	-84	172.6	0	0	112.7	R50 P325	R50-M327 HydrophobicContact CB-CE 3.43Å; R50-M327 VanDerWaalsContact CB-CE 3.43Å; R50-M327 HydrophobicContact CB-CG 4.48Å; R50-M327 HydrophobicContact CB-SD 3.69Å; R50-M327 VanDerWaalsContact CD-CG 3.44Å; R50-M327 WeakPolarHBondContact CD-SD 3.2Å; R50-M327 HydrophobicContact CG-CE 3.7Å; R50-M327 HydrophobicContact CG-CG 4.01Å; R50-M327 HydrophobicContact CG-SD 3.17Å; R50-M327 WeakPolarHBondContact CG-SD 3.14Å; R50-M327 WeakPolarHBondContact O-CE 3.37Å; P325-M327 HydrophobicContact CB-CE 4.13Å
328	D	68.2	Low	81.9	Confident	103 Å²	103	53.5 Å²	53.5	55%	0.551	28%	0.283	S	S	*	.	S	Bend	trans	-139	158.3	175.8	-62.3	-57.5	0	0	0	106.4	R50 I330	R50-D328 IonicContact CZ-OD2 3.08Å; R50-D328 IonicContact NH1-OD2 3.79Å; R50-D328 IonicContact NH2-OD1 2.66Å; R50-D328 IonicContact NH2-OD2 3.72Å; R50-D328 PolarHBondContact NH2-OD2 2.77Å; D328-I330 PolarHBondContact O-N 3.16Å
329	D	84.6	Confident	83.9	Confident	73 Å²	73	46.7 Å²	46.7	39%	0.39	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-57.3	135.1	173.1	-56.5	-21.5	0	0	0	110.8	Q302 L303 L304	Q302-D329 PolarHBondContact NE2-OD2 3.13Å; L303-D329 CarbonylContact O-C 3.54Å; L303-D329 WeakPolarHBondContact O-CA 3.22Å; L304-D329 HydrophobicContact CD2-CB 3.99Å; L304-D329 VanDerWaalsContact CD2-CG 3.41Å; L304-D329 WeakPolarHBondContact CD2-OD2 3.45Å
330	I	89.5	Confident	85.5	Confident	46 Å²	46	44.8 Å²	44.8	24%	0.236	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.9	-177.7	-60	-61.1	0	0	0	109.4	P284 Q302 L303 M326 D328 Q332 R535	P284-I330 HydrophobicContact CG-CG1 4.46Å; Q302-I330 CarbonylContact C-O 3.56Å; Q302-I330 WeakPolarHBondContact CA-O 3.33Å; Q302-I330 WeakPolarHBondContact CB-O 3.42Å; L303-I330 HydrophobicContact CB-CB 4.3Å; L303-I330 PolarHBondContact N-O 3.21Å; L303-I330 PolarHBondContact O-N 3.48Å; M326-I330 HydrophobicContact CE-CG1 4.15Å; M326-I330 HydrophobicContact CG-CG1 4.33Å; M326-I330 HydrophobicContact SD-CG1 4.28Å; D328-I330 PolarHBondContact O-N 3.16Å; I330-Q332 PolarHBondContact O-N 2.85Å; I330-R535 VanDerWaalsContact CG2-NH1 3.25Å
331	N	94.9	Very high	86.8	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.011	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	121	170.1	-170.3	-87.2	0	0	0	110.3	Q531 R535 P577 L579	N331-Q531 PolarHBondContact ND2-OE1 3.31Å; N331-R535 HydrophobicContact CB-CB 4.36Å; N331-R535 WeakPolarHBondContact O-CD 3.31Å; N331-R535 PolarHBondContact O-NE 2.83Å; N331-P577 WeakPolarHBondContact CB-O 3.3Å; N331-P577 PolarHBondContact ND2-O 3.26Å; N331-L579 HydrophobicContact CB-CD2 3.64Å; N331-L579 HydrophobicContact CB-CG 3.82Å
332	Q	97.3	Very high	87.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.218	C	C	.	.			trans	-149.2	76.1	178.4	-173.8	59.1	46.2	0	0	109.1	M289 S297 G301 L303 I330 I334 R535	M289-Q332 HydrophobicContact CE-CG 3.34Å; S297-Q332 WeakPolarHBondContact CA-O 3.25Å; S297-Q332 WeakPolarHBondContact CB-O 3.1Å; S297-Q332 PolarHBondContact OG-O 2.96Å; G301-Q332 CarbonylContact C-O 3.46Å; G301-Q332 VanDerWaalsContact C-O 3.32Å; G301-Q332 CarbonylContact O-C 3.6Å; G301-Q332 VanDerWaalsContact O-C 3.25Å; G301-Q332 PolarHBondContact O-N 3.44Å; L303-Q332 HydrophobicContact CD1-CB 4.38Å; L303-Q332 HydrophobicContact CD1-CG 4.39Å; L303-Q332 HydrophobicContact CD2-CB 4.16Å; L303-Q332 HydrophobicContact CD2-CG 4.12Å; L303-Q332 HydrophobicContact CG-CB 3.76Å; L303-Q332 HydrophobicContact CG-CG 4.08Å; I330-Q332 PolarHBondContact O-N 2.85Å; Q332-I334 VanDerWaalsContact C-N 3.28Å; Q332-I334 PolarHBondContact NE2-O 3.35Å; Q332-I334 PolarHBondContact O-N 3.4Å; Q332-R535 VanDerWaalsContact OE1-CZ 3.24Å
333	S	98.2	Very high	88.6	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.042	24%	0.242	C	C	.	.			trans	-75.9	-10.9	-172.8	64.6	0	0	0	0	115.3	G301 T528 Q531 W532	G301-S333 PolarHBondContact O-N 2.8Å; S333-T528 VanDerWaalsContact CB-O 3.24Å; S333-T528 WeakPolarHBondContact CB-O 3.39Å; S333-T528 WeakPolarHBondContact O-CG2 3.48Å; S333-T528 PolarHBondContact OG-O 2.74Å; S333-Q531 WeakPolarHBondContact OG-CB 3.38Å; S333-W532 PolarHBondContact OG-N 3.09Å
334	I	98.1	Very high	89.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-123.2	141.7	-178.2	65.9	159.6	0	0	0	111.1	W273 M289 S297 Q332 I336 M523 T528 W532	W273-I334 HydrophobicContact CH2-CD1 3.49Å; W273-I334 VanDerWaalsContact CH2-CD1 3.49Å; W273-I334 HydrophobicContact CZ2-CD1 4.49Å; W273-I334 HydrophobicContact CZ3-CD1 3.88Å; M289-I334 WeakPolarHBondContact CE-O 3.4Å; S297-I334 PolarHBondContact OG-O 2.84Å; S297-I334 VanDerWaalsContact OG-O 3.09Å; Q332-I334 VanDerWaalsContact C-N 3.28Å; Q332-I334 PolarHBondContact NE2-O 3.35Å; Q332-I334 PolarHBondContact O-N 3.4Å; I334-I336 HydrophobicContact CD1-CG1 4.3Å; I334-I336 HydrophobicContact CG1-CG1 4.4Å; I334-M523 HydrophobicContact CB-CE 4.32Å; I334-M523 HydrophobicContact CB-SD 4.07Å; I334-M523 HydrophobicContact CD1-CE 3.45Å; I334-M523 VanDerWaalsContact CD1-CE 3.45Å; I334-M523 HydrophobicContact CD1-SD 3.87Å; I334-M523 HydrophobicContact CG1-CE 4.42Å; I334-M523 HydrophobicContact CG2-CE 3.75Å; I334-M523 HydrophobicContact CG2-SD 3.77Å; I334-T528 HydrophobicContact CG2-CG2 4.41Å; I334-W532 HydrophobicContact CD1-CB 4.02Å; I334-W532 VanDerWaalsContact CD1-CD1 3.45Å; I334-W532 HydrophobicContact CD1-CD2 3.47Å; I334-W532 VanDerWaalsContact CD1-CD2 3.47Å; I334-W532 HydrophobicContact CD1-CE3 4.14Å; I334-W532 HydrophobicContact CD1-CG 3.37Å; I334-W532 HydrophobicContact CD1-CZ2 4.45Å; I334-W532 HydrophobicContact CG1-CB 3.9Å; I334-W532 HydrophobicContact CG1-CD2 3.84Å; I334-W532 HydrophobicContact CG1-CE3 4.11Å; I334-W532 HydrophobicContact CG1-CG 3.74Å; I334-W532 HydrophobicContact CG2-CB 4Å
335	P	98.3	Very high	90.4	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.013	22%	0.215	C	C	.	.			trans	-66.4	133.1	165.2	-24.1	35.4	0	0	0	112.2	Y294 M298 V337	Y294-P335 HydrophobicContact CD2-CB 3.86Å; Y294-P335 HydrophobicContact CD2-CG 4.1Å; Y294-P335 HydrophobicContact CE2-CB 3.94Å; Y294-P335 HydrophobicContact CE2-CG 3.89Å; M298-P335 HydrophobicContact CG-CG 3.91Å; M298-P335 HydrophobicContact SD-CG 3.23Å; M298-P335 WeakPolarHBondContact SD-CG 3.29Å; P335-V337 HydrophobicContact CB-CG1 3.96Å; P335-V337 HydrophobicContact CB-CG2 4.37Å
336	I	98.8	Very high	91.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.			trans	-115.1	95.9	168.2	-56.6	176.2	0	0	0	107	W273 V276 L277 A282 L285 F288 M289 I334 W532	W273-I336 HydrophobicContact CD2-CG2 4.48Å; W273-I336 HydrophobicContact CE3-CG1 4.24Å; W273-I336 HydrophobicContact CE3-CG2 4Å; W273-I336 HydrophobicContact CZ3-CD1 4.37Å; W273-I336 HydrophobicContact CZ3-CG1 4.11Å; V276-I336 HydrophobicContact CG1-CD1 4.27Å; L277-I336 HydrophobicContact CD1-CG2 3.91Å; L277-I336 HydrophobicContact CD2-CG2 3.97Å; L277-I336 HydrophobicContact CG-CG2 3.87Å; A282-I336 HydrophobicContact CB-CD1 3.46Å; A282-I336 VanDerWaalsContact CB-CD1 3.46Å; L285-I336 HydrophobicContact CD1-CB 4.35Å; L285-I336 HydrophobicContact CD1-CD1 4.19Å; F288-I336 HydrophobicContact CD1-CG2 4.39Å; M289-I336 WeakPolarHBondContact CG-O 3.31Å; M289-I336 PolarHBondContact N-O 3.23Å; M289-I336 PolarHBondContact SD-N 2.81Å; I334-I336 HydrophobicContact CD1-CG1 4.3Å; I334-I336 HydrophobicContact CG1-CG1 4.4Å; I336-W532 HydrophobicContact CD1-CH2 3.83Å; I336-W532 HydrophobicContact CD1-CZ2 4.38Å; I336-W532 HydrophobicContact CD1-CZ3 4.01Å
337	V	98.8	Very high	93	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	23%	0.233	C	C	.	.			trans	-135.4	156.2	-165.1	-63.5	0	0	0	0	110.6	M289 Y294 P335 R379 L404	M289-V337 HydrophobicContact CB-CG1 4.15Å; Y294-V337 HydrophobicContact CD2-CG1 3.89Å; P335-V337 HydrophobicContact CB-CG1 3.96Å; P335-V337 HydrophobicContact CB-CG2 4.37Å; V337-R379 VanDerWaalsContact CG2-NH1 3.3Å; V337-L404 HydrophobicContact CB-CD1 4.02Å; V337-L404 HydrophobicContact CB-CD2 3.85Å; V337-L404 HydrophobicContact CB-CG 4.37Å; V337-L404 HydrophobicContact CG1-CD1 3.94Å; V337-L404 HydrophobicContact CG2-CD1 4.13Å; V337-L404 HydrophobicContact CG2-CD2 3.67Å
338	L	98.9	Very high	95	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	104	176.5	179.3	59.8	0	0	0	110.2	V264 L266 D270 F288 L356 L404 L405	V264-L338 HydrophobicContact CG1-CD2 4.3Å; L266-L338 HydrophobicContact CD2-CD1 3.76Å; L266-L338 HydrophobicContact CD2-CD2 4.14Å; D270-L338 HydrophobicContact CB-CD1 3.93Å; F288-L338 HydrophobicContact CB-CB 4.34Å; F288-L338 HydrophobicContact CD1-CB 3.84Å; F288-L338 HydrophobicContact CD2-CB 3.92Å; F288-L338 HydrophobicContact CD2-CD2 4.12Å; F288-L338 HydrophobicContact CE1-CB 4.05Å; F288-L338 HydrophobicContact CE2-CB 4.14Å; F288-L338 HydrophobicContact CE2-CD2 3.99Å; F288-L338 HydrophobicContact CG-CB 3.77Å; F288-L338 HydrophobicContact CZ-CB 4.19Å; F288-L338 HydrophobicContact CZ-CD1 4.48Å; L338-L356 HydrophobicContact CD2-CD2 4.03Å; L338-L404 WeakPolarHBondContact O-CA 3.4Å; L338-L405 HydrophobicContact CB-CB 4.48Å; L338-L405 HydrophobicContact CD2-CD2 4.1Å; L338-L405 PolarHBondContact O-N 3.06Å
339	P	98.6	Very high	95.9	Very high	29 Å²	29	39.7 Å²	39.7	19%	0.188	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.8	177.3	-16.4	31	0	0	0	112.3	W403 L404	P339-W403 CarbonylContact C-O 3.48Å; P339-W403 VanDerWaalsContact CA-O 3.31Å; P339-W403 WeakPolarHBondContact CA-O 3.45Å; P339-L404 HydrophobicContact CB-CD2 4.16Å; P339-L404 HydrophobicContact CG-CD2 4.06Å
340	I	98.6	Very high	96.1	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.8	174.8	65.8	172.7	0	0	0	111	V264 V344 K345 L348 I371 G401 N402 W403 L405	V264-I340 HydrophobicContact CG1-CG2 4.26Å; I340-V344 HydrophobicContact CB-CB 4.13Å; I340-V344 HydrophobicContact CB-CG1 3.87Å; I340-V344 HydrophobicContact CD1-CG1 4.27Å; I340-V344 HydrophobicContact CG2-CG1 4.07Å; I340-K345 HydrophobicContact CD1-CB 4.11Å; I340-L348 HydrophobicContact CD1-CD1 4.06Å; I340-I371 HydrophobicContact CD1-CD1 3.99Å; I340-I371 HydrophobicContact CD1-CG1 4.21Å; I340-I371 HydrophobicContact CD1-CG2 4.1Å; I340-G401 CarbonylContact O-C 3.5Å; I340-G401 VanDerWaalsContact O-CA 3.27Å; I340-G401 WeakPolarHBondContact O-CA 3.41Å; I340-N402 PolarHBondContact O-N 3.13Å; I340-W403 HydrophobicContact CD1-CB 4.41Å; I340-W403 HydrophobicContact CG1-CB 3.77Å; I340-W403 PolarHBondContact N-O 3.43Å; I340-W403 PolarHBondContact O-N 2.8Å; I340-L405 HydrophobicContact CD1-CB 4.23Å; I340-L405 HydrophobicContact CG2-CB 4.06Å; I340-L405 HydrophobicContact CG2-CD2 4.35Å
341	S	98	Very high	96.4	Very high	52 Å²	52	39.6 Å²	39.6	36%	0.364	24%	0.241	S	C	.	.			trans	-74.8	164.7	177.5	71.1	0	0	0	0	111.9	D343 V344 K345	S341-D343 PolarHBondContact O-N 2.93Å; S341-V344 PolarHBondContact O-N 3.38Å; S341-V344 WeakPolarHBondContact OG-CG2 3.46Å; S341-V344 PolarHBondContact OG-N 3.47Å; S341-K345 PolarHBondContact O-N 3.46Å
342	D	97.7	Very high	96.5	Very high	68 Å²	68	44.4 Å²	44.4	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-56.8	-35.5	174.7	-66.8	-72.6	0	0	0	112.7	K346 N402 W403	D342-K346 WeakPolarHBondContact O-CG 3.32Å; D342-K346 PolarHBondContact O-N 2.8Å; D342-N402 PolarHBondContact OD2-ND2 3.38Å; D342-W403 PolarHBondContact OD1-NE1 2.87Å
343	D	96.2	Very high	96.5	Very high	117 Å²	117	47.5 Å²	47.5	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-74.7	-37.4	179.7	-67.4	-28.5	0	0	0	112.4	S341 K346 G347	S341-D343 PolarHBondContact O-N 2.93Å; D343-K346 PolarHBondContact O-N 2.92Å; D343-K346 IonicContact OD1-NZ 2.76Å; D343-K346 PolarHBondContact OD1-NZ 3.06Å; D343-G347 PolarHBondContact O-N 3.39Å
344	V	96.9	Very high	96.5	Very high	52 Å²	52	47.2 Å²	47.2	32%	0.315	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-45.1	172.6	173.9	0	0	0	0	109.9	V264 I340 S341 K346 G347 L348	V264-V344 HydrophobicContact CG2-CG1 3.93Å; I340-V344 HydrophobicContact CB-CB 4.13Å; I340-V344 HydrophobicContact CB-CG1 3.87Å; I340-V344 HydrophobicContact CD1-CG1 4.27Å; I340-V344 HydrophobicContact CG2-CG1 4.07Å; S341-V344 PolarHBondContact O-N 3.38Å; S341-V344 WeakPolarHBondContact OG-CG2 3.46Å; S341-V344 PolarHBondContact OG-N 3.47Å; V344-K346 VanDerWaalsContact C-N 3.35Å; V344-K346 PolarHBondContact O-N 3.35Å; V344-G347 PolarHBondContact O-N 2.94Å; V344-G347 VanDerWaalsContact O-N 3.1Å; V344-L348 HydrophobicContact CG1-CD1 3.78Å; V344-L348 HydrophobicContact CG1-CG 4.42Å; V344-L348 WeakPolarHBondContact O-CG 3.23Å; V344-L348 PolarHBondContact O-N 3.4Å
345	K	97.3	Very high	96.5	Very high	44 Å²	44	47.2 Å²	47.2	19%	0.191	28%	0.28	C	S	.	.	H	α-helix	trans	-54.4	-47.5	176.9	170.4	175.7	179.9	-66.6	0	112.6	I340 S341 G347 L348 E349 I371 W403	I340-K345 HydrophobicContact CD1-CB 4.11Å; S341-K345 PolarHBondContact O-N 3.46Å; K345-G347 PolarHBondContact O-N 2.78Å; K345-L348 PolarHBondContact O-N 3.25Å; K345-E349 IonicContact NZ-OE1 2.77Å; K345-E349 PolarHBondContact NZ-OE1 2.82Å; K345-I371 HydrophobicContact CD-CG2 3.86Å; K345-I371 HydrophobicContact CG-CD1 4.36Å; K345-I371 HydrophobicContact CG-CG2 4.03Å; K345-W403 HydrophobicContact CB-CG 4.36Å; K345-W403 HydrophobicContact CD-CB 4.46Å; K345-W403 HydrophobicContact CD-CD2 3.24Å; K345-W403 HydrophobicContact CD-CE3 3.66Å; K345-W403 HydrophobicContact CD-CG 3.59Å; K345-W403 HydrophobicContact CD-CH2 4.1Å; K345-W403 HydrophobicContact CD-CZ2 3.71Å; K345-W403 HydrophobicContact CD-CZ3 4.07Å
346	K	95.4	Very high	96.5	Very high	132 Å²	132	47.1 Å²	47.1	57%	0.574	28%	0.28	S	S	*	.	H	α-helix	trans	-57.2	-35.4	-179.8	-70.9	167.6	-164.1	157.3	0	112.2	D342 D343 V344 L348	D342-K346 WeakPolarHBondContact O-CG 3.32Å; D342-K346 PolarHBondContact O-N 2.8Å; D343-K346 PolarHBondContact O-N 2.92Å; D343-K346 IonicContact OD1-NZ 2.76Å; D343-K346 PolarHBondContact OD1-NZ 3.06Å; V344-K346 VanDerWaalsContact C-N 3.35Å; V344-K346 PolarHBondContact O-N 3.35Å; K346-L348 VanDerWaalsContact C-N 3.26Å; K346-L348 PolarHBondContact O-N 3.26Å
347	G	94.9	Very high	96.5	Very high	53 Å²	53	49.6 Å²	49.6	55%	0.546	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.2	178.4	0	0	0	0	0	114.9	D343 V344 K345	D343-G347 PolarHBondContact O-N 3.39Å; V344-G347 PolarHBondContact O-N 2.94Å; V344-G347 VanDerWaalsContact O-N 3.1Å; K345-G347 PolarHBondContact O-N 2.78Å
348	L	95.7	Very high	96.5	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.047	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	2.1	-174.7	-63.6	177.7	0	0	0	113.7	P262 V264 I340 V344 K345 K346 G350 V351 I354 I371 L405	P262-L348 HydrophobicContact CB-CD2 3.85Å; V264-L348 HydrophobicContact CG2-CD1 3.94Å; I340-L348 HydrophobicContact CD1-CD1 4.06Å; V344-L348 HydrophobicContact CG1-CD1 3.78Å; V344-L348 HydrophobicContact CG1-CG 4.42Å; V344-L348 WeakPolarHBondContact O-CG 3.23Å; V344-L348 PolarHBondContact O-N 3.4Å; K345-L348 PolarHBondContact O-N 3.25Å; K346-L348 VanDerWaalsContact C-N 3.26Å; K346-L348 PolarHBondContact O-N 3.26Å; L348-G350 PolarHBondContact O-N 3.23Å; L348-V351 HydrophobicContact CD2-CG2 4.47Å; L348-V351 WeakPolarHBondContact O-CB 3.18Å; L348-V351 PolarHBondContact O-N 3.31Å; L348-V351 VanDerWaalsContact O-N 3.17Å; L348-I354 HydrophobicContact CD1-CD1 3.82Å; L348-I354 HydrophobicContact CD2-CD1 3.72Å; L348-I354 HydrophobicContact CD2-CG1 3.92Å; L348-I354 HydrophobicContact CD2-CG2 4.39Å; L348-I354 HydrophobicContact CG-CD1 4.24Å; L348-I371 HydrophobicContact CB-CD1 3.8Å; L348-I371 HydrophobicContact CD1-CD1 4.28Å; L348-L405 HydrophobicContact CD1-CD2 4.31Å
349	E	88.2	Confident	96.3	Very high	135 Å²	135	57.2 Å²	57.2	63%	0.631	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	124.7	178.1	-67.9	-175.4	176.6	0	0	111.2	K345 V351	K345-E349 IonicContact NZ-OE1 2.77Å; K345-E349 PolarHBondContact NZ-OE1 2.82Å; E349-V351 PolarHBondContact O-N 2.92Å
350	G	88.1	Confident	96.1	Very high	85 Å²	85	58.6 Å²	58.6	88%	0.876	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	2.8	-178	0	0	0	0	0	115.2	L348	L348-G350 PolarHBondContact O-N 3.23Å
351	V	96	Very high	96	Very high	32 Å²	32	62.1 Å²	62.1	19%	0.194	36%	0.363	C	S	.	.			trans	-75.9	134.1	176	177.1	0	0	0	0	109.6	P262 L348 E349 R353 I354 P369	P262-V351 HydrophobicContact CB-CG1 4.38Å; P262-V351 HydrophobicContact CG-CG1 3.86Å; P262-V351 HydrophobicContact CG-CG2 3.84Å; L348-V351 HydrophobicContact CD2-CG2 4.47Å; L348-V351 WeakPolarHBondContact O-CB 3.18Å; L348-V351 PolarHBondContact O-N 3.31Å; L348-V351 VanDerWaalsContact O-N 3.17Å; E349-V351 PolarHBondContact O-N 2.92Å; V351-R353 WeakPolarHBondContact CG1-O 3.48Å; V351-I354 HydrophobicContact CG1-CG1 3.75Å; V351-P369 WeakPolarHBondContact O-CG 3.28Å
352	T	95.9	Very high	96	Very high	103 Å²	103	60.4 Å²	60.4	63%	0.632	35%	0.351	S	S	*	.	S	Bend	trans	-101.5	-18.9	-179.4	54.8	0	0	0	0	113.6	D368 P369	T352-D368 PolarHBondContact O-N 2.78Å; T352-P369 WeakPolarHBondContact O-CD 3.48Å
353	R	97.9	Very high	96	Very high	66 Å²	66	58 Å²	58	25%	0.249	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	140.1	179.5	-56.3	-174.1	80.1	-176.2	2.2	111.5	E257 L261 V351 I365 L366 S367	E257-R353 WeakPolarHBondContact OE1-CD 3.15Å; E257-R353 IonicContact OE1-CZ 3.58Å; E257-R353 IonicContact OE1-NE 2.8Å; E257-R353 IonicContact OE1-NH1 3.98Å; E257-R353 PolarHBondContact OE1-NH1 3.19Å; E257-R353 IonicContact OE2-CZ 3.68Å; E257-R353 IonicContact OE2-NH1 3.45Å; E257-R353 PolarHBondContact OE2-NH1 3.15Å; E257-R353 IonicContact OE2-NH2 3.37Å; L261-R353 HydrophobicContact CD1-CB 4.11Å; L261-R353 HydrophobicContact CD2-CB 4.14Å; V351-R353 WeakPolarHBondContact CG1-O 3.48Å; R353-I365 HydrophobicContact CB-CG2 4.3Å; R353-L366 CarbonylContact C-O 3.13Å; R353-L366 VanDerWaalsContact CA-O 3.26Å; R353-L366 WeakPolarHBondContact CA-O 3.01Å; R353-S367 PolarHBondContact NE-OG 3.27Å
354	I	98.6	Very high	96.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.4	-172.4	-57.5	171.1	0	0	0	108.7	P262 V264 L348 V351 L356 I365 L366 P369 L405	P262-I354 WeakPolarHBondContact O-CA 3.4Å; V264-I354 HydrophobicContact CB-CG2 4.25Å; V264-I354 HydrophobicContact CG2-CG2 3.72Å; L348-I354 HydrophobicContact CD1-CD1 3.82Å; L348-I354 HydrophobicContact CD2-CD1 3.72Å; L348-I354 HydrophobicContact CD2-CG1 3.92Å; L348-I354 HydrophobicContact CD2-CG2 4.39Å; L348-I354 HydrophobicContact CG-CD1 4.24Å; V351-I354 HydrophobicContact CG1-CG1 3.75Å; I354-L356 HydrophobicContact CG2-CD2 4.25Å; I354-I365 CarbonylContact O-C 3.49Å; I354-I365 WeakPolarHBondContact O-CA 3.46Å; I354-L366 HydrophobicContact CB-CB 4.48Å; I354-L366 HydrophobicContact CD1-CD2 4.44Å; I354-L366 PolarHBondContact N-O 2.83Å; I354-L366 PolarHBondContact O-N 3.19Å; I354-P369 HydrophobicContact CD1-CB 3.91Å; I354-P369 HydrophobicContact CD1-CG 4.18Å; I354-L405 HydrophobicContact CD1-CD1 4.04Å; I354-L405 HydrophobicContact CD1-CD2 3.86Å
355	A	98.4	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125	171.5	0	0	0	0	0	110.6	L261 P262 T263 V264 V362 I365	L261-A355 HydrophobicContact CB-CB 4.25Å; P262-A355 PolarHBondContact O-N 2.87Å; T263-A355 CarbonylContact C-O 3.51Å; T263-A355 VanDerWaalsContact CA-O 3.24Å; T263-A355 WeakPolarHBondContact CA-O 3.41Å; T263-A355 HydrophobicContact CG2-CB 4.23Å; V264-A355 PolarHBondContact N-O 2.82Å; A355-V362 HydrophobicContact CB-CG1 4.35Å; A355-V362 HydrophobicContact CB-CG2 4.46Å; A355-I365 HydrophobicContact CB-CD1 4.05Å
356	L	98.7	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.3	175.2	-55	-173.3	0	0	0	109.3	V264 L266 F288 L338 I354 Y363 A364 L366	V264-L356 HydrophobicContact CB-CD2 4Å; L266-L356 HydrophobicContact CD1-CB 4.1Å; L266-L356 HydrophobicContact CD2-CB 4.29Å; L266-L356 HydrophobicContact CD2-CD2 4.49Å; L266-L356 HydrophobicContact CG-CB 4.28Å; F288-L356 HydrophobicContact CE2-CD1 3.97Å; L338-L356 HydrophobicContact CD2-CD2 4.03Å; I354-L356 HydrophobicContact CG2-CD2 4.25Å; L356-Y363 PolarHBondContact O-N 2.84Å; L356-A364 HydrophobicContact CB-CB 4.33Å; L356-A364 HydrophobicContact CD1-CB 4.24Å; L356-A364 PolarHBondContact N-O 3Å; L356-L366 HydrophobicContact CD1-CB 4.3Å; L356-L366 HydrophobicContact CD2-CB 4.35Å; L356-L366 HydrophobicContact CG-CB 4.3Å
357	K	98.2	Very high	96.3	Very high	51 Å²	51	42.9 Å²	42.9	22%	0.222	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.1	-174.8	-71.8	-174.8	177.6	179.8	0	112.2	T263 V264 E265 L266 Q361 V362	T263-K357 HydrophobicContact CG2-CD 3.87Å; T263-K357 VanDerWaalsContact CG2-CE 3.48Å; V264-K357 PolarHBondContact O-N 2.9Å; E265-K357 CarbonylContact C-O 3.5Å; E265-K357 WeakPolarHBondContact CA-O 3.47Å; E265-K357 VanDerWaalsContact OE2-CB 3.31Å; E265-K357 WeakPolarHBondContact OE2-CB 3.4Å; L266-K357 VanDerWaalsContact CB-O 3.29Å; L266-K357 WeakPolarHBondContact CB-O 3.43Å; L266-K357 WeakPolarHBondContact CG-O 3.24Å; L266-K357 PolarHBondContact N-O 3.03Å; K357-Q361 CarbonylContact C-O 3.59Å; K357-Q361 WeakPolarHBondContact CA-O 3.26Å; K357-V362 HydrophobicContact CD-CG2 4.22Å; K357-V362 VanDerWaalsContact CE-CG2 3.46Å; K357-V362 HydrophobicContact CG-CG2 3.8Å
358	Y	98	Very high	96.4	Very high	42 Å²	42	43.7 Å²	43.7	17%	0.165	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.1	166.6	175.3	-100.8	0	0	0	108.9	E265 L266 K268 L271 G360 Q361 Y363	E265-Y358 WeakPolarHBondContact OE1-CA 3.36Å; L266-Y358 WeakPolarHBondContact O-CD2 3.46Å; K268-Y358 HydrophobicContact CB-CE2 4.08Å; L271-Y358 HydrophobicContact CB-CD2 4.36Å; L271-Y358 HydrophobicContact CB-CG 4.43Å; L271-Y358 HydrophobicContact CD2-CD1 3.53Å; L271-Y358 HydrophobicContact CD2-CD2 4.32Å; L271-Y358 HydrophobicContact CD2-CE1 3.75Å; L271-Y358 HydrophobicContact CD2-CG 3.82Å; L271-Y358 HydrophobicContact CG-CG 4.49Å; Y358-G360 PolarHBondContact O-N 3.41Å; Y358-Q361 PolarHBondContact N-O 3.11Å; Y358-Q361 PolarHBondContact O-N 2.77Å; Y358-Q361 VanDerWaalsContact O-N 3.11Å; Y358-Y363 HydrophobicContact CD1-CE2 4.23Å
359	N	95.8	Very high	96.4	Very high	127 Å²	127	44.7 Å²	44.7	68%	0.679	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	40.6	-174.7	-69.7	-19.9	0	0	0	112.2	E265 Q361	E265-N359 PolarHBondContact OE1-N 3.42Å; N359-Q361 PolarHBondContact O-N 2.8Å
360	G	93.7	Very high	96.8	Very high	57 Å²	57	39.9 Å²	39.9	59%	0.588	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	-5.6	178.8	0	0	0	0	0	115.8	Y358	Y358-G360 PolarHBondContact O-N 3.41Å
361	Q	96.2	Very high	97.3	Very high	79 Å²	79	38.1 Å²	38.1	37%	0.369	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.1	178.5	-176.3	174.1	-12.9	0	0	111.2	K357 Y358 N359 Y363	K357-Q361 CarbonylContact C-O 3.59Å; K357-Q361 WeakPolarHBondContact CA-O 3.26Å; Y358-Q361 PolarHBondContact N-O 3.11Å; Y358-Q361 PolarHBondContact O-N 2.77Å; Y358-Q361 VanDerWaalsContact O-N 3.11Å; N359-Q361 PolarHBondContact O-N 2.8Å; Q361-Y363 HydrophobicContact CB-CE2 4.08Å; Q361-Y363 HydrophobicContact CG-CE2 4.14Å; Q361-Y363 WeakPolarHBondContact O-CD2 3.3Å
362	V	97.8	Very high	97.3	Very high	16 Å²	16	37 Å²	37	10%	0.097	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.7	177.1	179.1	0	0	0	0	109.5	L255 A355 K357 I365 V412	L255-V362 HydrophobicContact CD2-CB 4.17Å; L255-V362 HydrophobicContact CD2-CG1 4.33Å; A355-V362 HydrophobicContact CB-CG1 4.35Å; A355-V362 HydrophobicContact CB-CG2 4.46Å; K357-V362 HydrophobicContact CD-CG2 4.22Å; K357-V362 VanDerWaalsContact CE-CG2 3.46Å; K357-V362 HydrophobicContact CG-CG2 3.8Å; V362-I365 HydrophobicContact CG1-CD1 4.18Å; V362-V412 HydrophobicContact CG1-CG2 4.29Å
363	Y	98.2	Very high	97.4	Very high	18 Å²	18	36.6 Å²	36.6	7%	0.071	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-30.9	177.3	-81.5	-90	0	0	0	112.9	L271 L356 Y358 Q361 V411 V412 I415	L271-Y363 HydrophobicContact CD1-CD1 4.03Å; L271-Y363 HydrophobicContact CD1-CD2 4.06Å; L271-Y363 HydrophobicContact CD1-CE1 4.24Å; L271-Y363 HydrophobicContact CD1-CE2 4.28Å; L271-Y363 HydrophobicContact CD1-CG 3.91Å; L356-Y363 PolarHBondContact O-N 2.84Å; Y358-Y363 HydrophobicContact CD1-CE2 4.23Å; Q361-Y363 HydrophobicContact CB-CE2 4.08Å; Q361-Y363 HydrophobicContact CG-CE2 4.14Å; Q361-Y363 WeakPolarHBondContact O-CD2 3.3Å; Y363-V411 WeakPolarHBondContact O-CG1 3.37Å; Y363-V412 WeakPolarHBondContact O-CG2 3.15Å; Y363-V412 PolarHBondContact O-N 2.97Å; Y363-I415 HydrophobicContact CD1-CG1 3.77Å; Y363-I415 HydrophobicContact CE1-CG1 4.13Å
364	A	98.5	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.7	-177.1	0	0	0	0	0	112.6	L274 L356 V409 A410 V411	L274-A364 HydrophobicContact CD1-CB 4.11Å; L274-A364 HydrophobicContact CD2-CB 4.01Å; L356-A364 HydrophobicContact CB-CB 4.33Å; L356-A364 HydrophobicContact CD1-CB 4.24Å; L356-A364 PolarHBondContact N-O 3Å; A364-V409 HydrophobicContact CB-CG1 3.86Å; A364-A410 CarbonylContact C-O 3.5Å; A364-A410 WeakPolarHBondContact CA-O 3.42Å; A364-A410 WeakPolarHBondContact CB-O 3.24Å; A364-V411 HydrophobicContact CB-CB 4.47Å; A364-V411 HydrophobicContact CB-CG2 4.09Å
365	I	98.6	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.7	168.3	-52.7	-57.5	0	0	0	108.2	L254 L261 R353 I354 A355 V362 A410	L254-I365 HydrophobicContact CB-CG1 4.13Å; L254-I365 HydrophobicContact CD2-CG1 4.21Å; L261-I365 HydrophobicContact CD1-CD1 4.06Å; L261-I365 HydrophobicContact CD1-CG2 4.15Å; R353-I365 HydrophobicContact CB-CG2 4.3Å; I354-I365 CarbonylContact O-C 3.49Å; I354-I365 WeakPolarHBondContact O-CA 3.46Å; A355-I365 HydrophobicContact CB-CD1 4.05Å; V362-I365 HydrophobicContact CG1-CD1 4.18Å; I365-A410 PolarHBondContact N-O 2.66Å; I365-A410 PolarHBondContact O-N 3.18Å
366	L	98.6	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.1	171.5	-173.7	157.3	0	0	0	108.8	F288 R353 I354 L356 P369 L405 D408 V409	F288-L366 HydrophobicContact CD2-CD1 4.31Å; R353-L366 CarbonylContact C-O 3.13Å; R353-L366 VanDerWaalsContact CA-O 3.26Å; R353-L366 WeakPolarHBondContact CA-O 3.01Å; I354-L366 HydrophobicContact CB-CB 4.48Å; I354-L366 HydrophobicContact CD1-CD2 4.44Å; I354-L366 PolarHBondContact N-O 2.83Å; I354-L366 PolarHBondContact O-N 3.19Å; L356-L366 HydrophobicContact CD1-CB 4.3Å; L356-L366 HydrophobicContact CD2-CB 4.35Å; L356-L366 HydrophobicContact CG-CB 4.3Å; L366-P369 HydrophobicContact CD2-CB 3.62Å; L366-L405 HydrophobicContact CD1-CD2 4.14Å; L366-L405 HydrophobicContact CD1-CG 3.94Å; L366-L405 HydrophobicContact CD2-CD1 4.3Å; L366-L405 HydrophobicContact CD2-CG 4.48Å; L366-D408 CarbonylContact C-O 3.38Å; L366-D408 VanDerWaalsContact CA-O 3.31Å; L366-D408 WeakPolarHBondContact CA-O 3.47Å; L366-V409 HydrophobicContact CB-CG2 4.41Å; L366-V409 HydrophobicContact CD1-CG2 4.24Å; L366-V409 HydrophobicContact CG-CG2 4.25Å
367	S	97.5	Very high	97.5	Very high	28 Å²	28	47.4 Å²	47.4	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.7	-177.9	-52.4	0	0	0	0	111.1	R353 D408	R353-S367 PolarHBondContact NE-OG 3.27Å; S367-D408 PolarHBondContact N-O 2.81Å; S367-D408 PolarHBondContact O-N 3.04Å
368	D	95.4	Very high	97.5	Very high	70 Å²	70	48.2 Å²	48.2	37%	0.374	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.1	54	-176.2	-168.1	38.2	0	0	0	112.2	R290 H308 T352	R290-D368 VanDerWaalsContact CZ-O 3.28Å; R290-D368 IonicContact CZ-OD2 2.76Å; R290-D368 PolarHBondContact NH1-O 2.86Å; R290-D368 IonicContact NH1-OD2 3Å; R290-D368 PolarHBondContact NH2-O 2.81Å; R290-D368 IonicContact NH2-OD2 3.85Å; R290-D368 PolarHBondContact NH2-OD2 3.49Å; R290-D368 VanDerWaalsContact NH2-OD2 3.09Å; H308-D368 IonicContact CE1-OD2 3.47Å; H308-D368 IonicContact ND1-OD2 3.68Å; H308-D368 PolarHBondContact ND1-OD2 3.17Å; T352-D368 PolarHBondContact O-N 2.78Å
369	P	96.9	Very high	97.5	Very high	29 Å²	29	47.1 Å²	47.1	19%	0.188	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	144.7	-172.2	28.4	-35.5	0	0	0	112.2	V351 T352 I354 L366 L405 G406	V351-P369 WeakPolarHBondContact O-CG 3.28Å; T352-P369 WeakPolarHBondContact O-CD 3.48Å; I354-P369 HydrophobicContact CD1-CB 3.91Å; I354-P369 HydrophobicContact CD1-CG 4.18Å; L366-P369 HydrophobicContact CD2-CB 3.62Å; P369-L405 HydrophobicContact CB-CD1 3.67Å; P369-G406 CarbonylContact C-O 3.58Å; P369-G406 WeakPolarHBondContact CA-O 3.38Å
370	E	95.7	Very high	97.6	Very high	35 Å²	35	41.1 Å²	41.1	16%	0.164	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.3	171.9	-176.8	-178	146	0	0	109	R290 E291 G406	R290-E370 VanDerWaalsContact CB-OE2 3.32Å; R290-E370 WeakPolarHBondContact CB-OE2 3.41Å; R290-E370 WeakPolarHBondContact CG-OE2 3.46Å; R290-E370 IonicContact NH1-OE2 2.67Å; E291-E370 WeakPolarHBondContact CB-OE1 3.46Å; E291-E370 PolarHBondContact N-OE1 3.03Å; E370-G406 PolarHBondContact N-O 3.25Å; E370-G406 PolarHBondContact O-N 3.05Å
371	I	97.7	Very high	97.9	Very high	48 Å²	48	41.2 Å²	41.2	25%	0.246	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.1	180	-58.3	172.5	0	0	0	108.9	I340 K345 L348 W403 L404 L405	I340-I371 HydrophobicContact CD1-CD1 3.99Å; I340-I371 HydrophobicContact CD1-CG1 4.21Å; I340-I371 HydrophobicContact CD1-CG2 4.1Å; K345-I371 HydrophobicContact CD-CG2 3.86Å; K345-I371 HydrophobicContact CG-CD1 4.36Å; K345-I371 HydrophobicContact CG-CG2 4.03Å; L348-I371 HydrophobicContact CB-CD1 3.8Å; L348-I371 HydrophobicContact CD1-CD1 4.28Å; I371-W403 HydrophobicContact CG2-CB 3.92Å; I371-W403 HydrophobicContact CG2-CD2 4.33Å; I371-W403 HydrophobicContact CG2-CE3 3.96Å; I371-W403 HydrophobicContact CG2-CG 4.33Å; I371-L404 VanDerWaalsContact CA-O 3.32Å; I371-L404 WeakPolarHBondContact CA-O 3.14Å; I371-L405 HydrophobicContact CD1-CD1 4.44Å; I371-L405 HydrophobicContact CG1-CD1 3.78Å
372	F	97.7	Very high	98	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	165	-178	63.4	-83	0	0	0	111.8	E291 Y294 W403 L404	E291-F372 HydrophobicContact CB-CB 4.09Å; E291-F372 HydrophobicContact CB-CD1 3.92Å; E291-F372 HydrophobicContact CB-CD2 3.93Å; E291-F372 HydrophobicContact CB-CE1 4.32Å; E291-F372 HydrophobicContact CB-CE2 4.31Å; E291-F372 HydrophobicContact CB-CG 3.72Å; E291-F372 HydrophobicContact CB-CZ 4.5Å; E291-F372 HydrophobicContact CG-CB 4.23Å; E291-F372 HydrophobicContact CG-CD2 3.86Å; E291-F372 HydrophobicContact CG-CE2 4.38Å; E291-F372 HydrophobicContact CG-CG 4.03Å; Y294-F372 HydrophobicContact CD1-CD2 4.42Å; Y294-F372 AromaticContact CD1-CE2 3.56Å; Y294-F372 HydrophobicContact CD1-CE2 3.56Å; Y294-F372 HydrophobicContact CD1-CZ 4.34Å; Y294-F372 HydrophobicContact CE1-CE2 4.19Å; Y294-F372 AromaticContact CG-CE2 3.72Å; Y294-F372 HydrophobicContact CG-CE2 3.72Å; Y294-F372 HydrophobicContact CG-CZ 4.06Å; F372-W403 CarbonylContact O-C 3.59Å; F372-W403 WeakPolarHBondContact O-CA 3.3Å; F372-L404 HydrophobicContact CD1-CB 4.28Å; F372-L404 HydrophobicContact CD2-CB 4.28Å; F372-L404 HydrophobicContact CD2-CD1 4.4Å; F372-L404 HydrophobicContact CE1-CB 3.8Å; F372-L404 HydrophobicContact CE2-CB 3.82Å; F372-L404 HydrophobicContact CE2-CD1 3.5Å; F372-L404 HydrophobicContact CE2-CG 4.21Å; F372-L404 HydrophobicContact CG-CB 4.5Å; F372-L404 HydrophobicContact CZ-CB 3.55Å; F372-L404 HydrophobicContact CZ-CD1 3.7Å; F372-L404 HydrophobicContact CZ-CG 4.27Å; F372-L404 PolarHBondContact N-O 2.99Å; F372-L404 VanDerWaalsContact N-O 3.09Å; F372-L404 PolarHBondContact O-N 3.38Å
373	E	98.3	Very high	98	Very high	93 Å²	93	42.6 Å²	42.6	44%	0.435	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	136.6	-176.2	-68.9	-176.4	172.9	0	0	111.8	R375 W403	E373-R375 HydrophobicContact CB-CG 4.03Å; E373-R375 IonicContact OE2-CZ 2.71Å; E373-R375 IonicContact OE2-NE 3.8Å; E373-R375 PolarHBondContact OE2-NE 3.36Å; E373-R375 IonicContact OE2-NH2 3.11Å; E373-R375 PolarHBondContact OE2-NH2 2.89Å; E373-W403 HydrophobicContact CG-CE3 4.41Å; E373-W403 HydrophobicContact CG-CH2 4.23Å; E373-W403 HydrophobicContact CG-CZ3 3.87Å
374	H	98.6	Very high	98	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.			trans	-77.3	-33.2	179.3	-169.5	179.8	0	0	0	113	Y294 K376 R379 S400 G401 N402 L404	Y294-H374 PolarHBondContact OH-O 3.41Å; H374-K376 HydrophobicContact CB-CG 4.21Å; H374-K376 WeakPolarHBondContact ND1-CG 3.42Å; H374-K376 PolarHBondContact O-N 3.49Å; H374-R379 PolarHBondContact CE1-NH1 2.93Å; H374-R379 WeakPolarHBondContact NE2-CD 3.42Å; H374-R379 PolarHBondContact NE2-NH1 3.21Å; H374-S400 PolarHBondContact CE1-OG 3.01Å; H374-G401 PolarHBondContact ND1-O 3.1Å; H374-N402 WeakPolarHBondContact CB-O 3.5Å; H374-N402 PolarHBondContact N-O 2.76Å; H374-L404 HydrophobicContact CB-CD1 4.43Å; H374-L404 HydrophobicContact CB-CD2 4.2Å; H374-L404 HydrophobicContact CB-CG 3.86Å
375	R	98.5	Very high	98	Very high	153 Å²	153	45.1 Å²	45.1	58%	0.577	23%	0.233	S	C	*	.			trans	45.4	57.4	-178.1	-61.3	-166.3	166.9	-179.7	-0	113.1	E373 D377 E378 R379	E373-R375 HydrophobicContact CB-CG 4.03Å; E373-R375 IonicContact OE2-CZ 2.71Å; E373-R375 IonicContact OE2-NE 3.8Å; E373-R375 PolarHBondContact OE2-NE 3.36Å; E373-R375 IonicContact OE2-NH2 3.11Å; E373-R375 PolarHBondContact OE2-NH2 2.89Å; R375-D377 VanDerWaalsContact C-N 3.33Å; R375-D377 PolarHBondContact O-N 3.3Å; R375-E378 HydrophobicContact CB-CB 4.3Å; R375-E378 WeakPolarHBondContact O-CB 3.42Å; R375-E378 PolarHBondContact O-N 2.87Å; R375-R379 PolarHBondContact O-N 3Å
376	K	98.6	Very high	97.9	Very high	40 Å²	40	46.4 Å²	46.4	17%	0.174	24%	0.241	C	C	.	.	H	α-helix	trans	-51.6	-44.6	-168	-64.2	-176.9	-76.7	-176.4	0	114.1	H374 E378 R379 V380 V397 L398 S400 N402	H374-K376 HydrophobicContact CB-CG 4.21Å; H374-K376 WeakPolarHBondContact ND1-CG 3.42Å; H374-K376 PolarHBondContact O-N 3.49Å; K376-E378 PolarHBondContact O-N 3.47Å; K376-R379 WeakPolarHBondContact O-CB 3.38Å; K376-R379 PolarHBondContact O-N 3.04Å; K376-V380 WeakPolarHBondContact O-CG1 3.28Å; K376-V380 WeakPolarHBondContact O-CG2 3.5Å; K376-V380 PolarHBondContact O-N 2.87Å; K376-V397 HydrophobicContact CB-CG1 4.45Å; K376-V397 WeakPolarHBondContact CD-O 3.49Å; K376-L398 HydrophobicContact CB-CD2 4.08Å; K376-L398 WeakPolarHBondContact CE-O 3.48Å; K376-L398 PolarHBondContact NZ-O 3.44Å; K376-S400 PolarHBondContact NZ-O 3.13Å; K376-N402 VanDerWaalsContact CE-OD1 3.27Å; K376-N402 WeakPolarHBondContact CE-OD1 3.28Å; K376-N402 PolarHBondContact NZ-OD1 2.9Å
377	D	98.4	Very high	97.8	Very high	101 Å²	101	50.4 Å²	50.4	54%	0.54	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-44.3	178.8	-75.1	-51.2	0	0	0	112.7	R375 R379 V380 C381	R375-D377 VanDerWaalsContact C-N 3.33Å; R375-D377 PolarHBondContact O-N 3.3Å; D377-R379 VanDerWaalsContact C-N 3.35Å; D377-V380 WeakPolarHBondContact O-CG2 3.47Å; D377-C381 WeakPolarHBondContact O-CB 3.24Å; D377-C381 PolarHBondContact O-N 3.39Å; D377-C381 VanDerWaalsContact O-N 3.12Å; D377-C381 PolarHBondContact O-SG 3.48Å
378	E	98.7	Very high	97.8	Very high	67 Å²	67	50.6 Å²	50.6	31%	0.313	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-44.6	175.5	175.7	172.1	-161.7	0	0	110.6	R375 K376 V380 C381 R382	R375-E378 HydrophobicContact CB-CB 4.3Å; R375-E378 WeakPolarHBondContact O-CB 3.42Å; R375-E378 PolarHBondContact O-N 2.87Å; K376-E378 PolarHBondContact O-N 3.47Å; E378-V380 PolarHBondContact O-N 2.75Å; E378-C381 PolarHBondContact O-N 2.83Å; E378-R382 WeakPolarHBondContact O-CG 3.44Å; E378-R382 PolarHBondContact O-N 3.3Å; E378-R382 VanDerWaalsContact O-N 3.08Å; E378-R382 IonicContact OE1-CZ 3.49Å; E378-R382 VanDerWaalsContact OE1-CZ 3.25Å; E378-R382 IonicContact OE1-NE 3.18Å; E378-R382 PolarHBondContact OE1-NE 3.08Å; E378-R382 IonicContact OE1-NH2 3.63Å; E378-R382 PolarHBondContact OE1-NH2 3.44Å
379	R	98.6	Very high	97.9	Very high	20 Å²	20	51 Å²	51	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-54.8	-54	178.2	-173.9	-176.7	163.9	-179.2	2.2	111.2	Y294 M298 V337 H374 R375 K376 D377 C381 R382 Q383	Y294-R379 HydrophobicContact CE2-CG 4.43Å; Y294-R379 WeakPolarHBondContact OH-CB 3.38Å; M298-R379 HydrophobicContact CE-CB 4.32Å; M298-R379 HydrophobicContact CE-CG 4.13Å; M298-R379 WeakPolarHBondContact CE-O 3.42Å; M298-R379 HydrophobicContact SD-CG 4.12Å; V337-R379 VanDerWaalsContact CG2-NH1 3.3Å; H374-R379 PolarHBondContact CE1-NH1 2.93Å; H374-R379 WeakPolarHBondContact NE2-CD 3.42Å; H374-R379 PolarHBondContact NE2-NH1 3.21Å; R375-R379 PolarHBondContact O-N 3Å; K376-R379 WeakPolarHBondContact O-CB 3.38Å; K376-R379 PolarHBondContact O-N 3.04Å; D377-R379 VanDerWaalsContact C-N 3.35Å; R379-C381 PolarHBondContact O-N 2.82Å; R379-R382 PolarHBondContact O-N 3.47Å; R379-Q383 VanDerWaalsContact NE-OE1 3.15Å; R379-Q383 VanDerWaalsContact O-CB 3.22Å; R379-Q383 WeakPolarHBondContact O-CB 3.24Å; R379-Q383 PolarHBondContact O-N 3.08Å
380	V	98.6	Very high	97.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.2	-37.6	-173.8	-61.2	0	0	0	0	111.8	K376 D377 E378 R382 F384 T386 N387 V394 V397 L398	K376-V380 WeakPolarHBondContact O-CG1 3.28Å; K376-V380 WeakPolarHBondContact O-CG2 3.5Å; K376-V380 PolarHBondContact O-N 2.87Å; D377-V380 WeakPolarHBondContact O-CG2 3.47Å; E378-V380 PolarHBondContact O-N 2.75Å; V380-R382 PolarHBondContact O-N 3Å; V380-F384 HydrophobicContact CB-CD2 4.12Å; V380-F384 HydrophobicContact CG1-CD2 4.37Å; V380-F384 HydrophobicContact CG1-CE2 4.33Å; V380-F384 WeakPolarHBondContact O-CB 3.4Å; V380-F384 WeakPolarHBondContact O-CD2 3.48Å; V380-F384 PolarHBondContact O-N 3.41Å; V380-T386 CarbonylContact C-O 3.59Å; V380-T386 VanDerWaalsContact O-O 3.13Å; V380-N387 HydrophobicContact CG2-CB 3.59Å; V380-V394 HydrophobicContact CB-CG1 4.08Å; V380-V394 HydrophobicContact CB-CG2 4.28Å; V380-V394 HydrophobicContact CG1-CG1 4.05Å; V380-V394 HydrophobicContact CG1-CG2 4.45Å; V380-V394 HydrophobicContact CG2-CG1 4.29Å; V380-V397 HydrophobicContact CG1-CB 3.77Å; V380-V397 HydrophobicContact CG1-CG1 3.52Å; V380-V397 HydrophobicContact CG1-CG2 4.49Å; V380-L398 HydrophobicContact CG1-CD2 4.39Å; V380-L398 HydrophobicContact CG1-CG 4.47Å; V380-L398 HydrophobicContact CG2-CD2 4.23Å
381	C	98.3	Very high	98	Very high	59 Å²	59	55.7 Å²	55.7	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-44.1	176.9	-70.1	0	0	0	0	112.3	D377 E378 R379 G385	D377-C381 WeakPolarHBondContact O-CB 3.24Å; D377-C381 PolarHBondContact O-N 3.39Å; D377-C381 VanDerWaalsContact O-N 3.12Å; D377-C381 PolarHBondContact O-SG 3.48Å; E378-C381 PolarHBondContact O-N 2.83Å; R379-C381 PolarHBondContact O-N 2.82Å; C381-G385 WeakPolarHBondContact O-CA 3.3Å; C381-G385 PolarHBondContact O-N 3.46Å
382	R	98.3	Very high	97.9	Very high	120 Å²	120	55 Å²	55	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-75.8	-42.7	-179.7	-69.8	-178.1	-169.9	-64.6	-3.2	112.4	M298 H299 E378 R379 V380	M298-R382 HydrophobicContact CE-CB 3.34Å; M298-R382 HydrophobicContact CE-CG 4.09Å; H299-R382 PolarHBondContact CE1-NH2 3.38Å; E378-R382 WeakPolarHBondContact O-CG 3.44Å; E378-R382 PolarHBondContact O-N 3.3Å; E378-R382 VanDerWaalsContact O-N 3.08Å; E378-R382 IonicContact OE1-CZ 3.49Å; E378-R382 VanDerWaalsContact OE1-CZ 3.25Å; E378-R382 IonicContact OE1-NE 3.18Å; E378-R382 PolarHBondContact OE1-NE 3.08Å; E378-R382 IonicContact OE1-NH2 3.63Å; E378-R382 PolarHBondContact OE1-NH2 3.44Å; R379-R382 PolarHBondContact O-N 3.47Å; V380-R382 PolarHBondContact O-N 3Å
383	Q	98.5	Very high	97.9	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.019	28%	0.28	C	S	.	.	H	α-helix	trans	-73.7	-43.3	-175.3	-175.7	174.1	-1	0	0	112.2	R379 M523 T528	R379-Q383 VanDerWaalsContact NE-OE1 3.15Å; R379-Q383 VanDerWaalsContact O-CB 3.22Å; R379-Q383 WeakPolarHBondContact O-CB 3.24Å; R379-Q383 PolarHBondContact O-N 3.08Å; Q383-M523 PolarHBondContact NE2-SD 3.37Å; Q383-T528 WeakPolarHBondContact O-CB 3.36Å; Q383-T528 PolarHBondContact O-OG1 3.18Å; Q383-T528 VanDerWaalsContact O-OG1 3.1Å
384	F	98.4	Very high	97.9	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-108.5	-11.7	-173.2	-56.2	-94.8	0	0	0	113.6	V380 T386 H391 A393 V394 V397 M523 A525 Y564	V380-F384 HydrophobicContact CB-CD2 4.12Å; V380-F384 HydrophobicContact CG1-CD2 4.37Å; V380-F384 HydrophobicContact CG1-CE2 4.33Å; V380-F384 WeakPolarHBondContact O-CB 3.4Å; V380-F384 WeakPolarHBondContact O-CD2 3.48Å; V380-F384 PolarHBondContact O-N 3.41Å; F384-T386 HydrophobicContact CB-CG2 4.16Å; F384-T386 PolarHBondContact O-N 3.05Å; F384-H391 AromaticContact CD1-CE1 3.45Å; F384-H391 VanDerWaalsContact CD1-CE1 3.45Å; F384-H391 WeakPolarHBondContact CD1-CE1 3.29Å; F384-H391 AromaticContact CD1-NE2 3.89Å; F384-H391 AromaticContact CE1-CE1 3.65Å; F384-A393 HydrophobicContact CE1-CB 3.83Å; F384-A393 HydrophobicContact CZ-CB 4.08Å; F384-V394 HydrophobicContact CB-CG2 4Å; F384-V394 HydrophobicContact CD1-CG2 4.02Å; F384-V394 HydrophobicContact CD2-CG2 3.76Å; F384-V394 HydrophobicContact CE1-CG2 4.43Å; F384-V394 HydrophobicContact CE2-CG2 4.21Å; F384-V394 HydrophobicContact CG-CG2 3.66Å; F384-V397 HydrophobicContact CE2-CG2 4.47Å; F384-M523 HydrophobicContact CE1-CB 3.92Å; F384-M523 WeakPolarHBondContact CE1-O 3.44Å; F384-M523 HydrophobicContact CZ-CB 4.37Å; F384-A525 HydrophobicContact CD1-CB 3.66Å; F384-A525 HydrophobicContact CE1-CB 3.94Å; F384-A525 HydrophobicContact CG-CB 4.38Å; F384-Y564 WeakPolarHBondContact O-CE1 3.18Å; F384-Y564 PolarHBondContact O-OH 3.48Å
385	G	97.6	Very high	97.9	Very high	67 Å²	67	51.1 Å²	51.1	69%	0.691	27%	0.265	S	S	*	.	S	Bend	trans	69.3	12.3	-171.8	0	0	0	0	0	113.8	C381	C381-G385 WeakPolarHBondContact O-CA 3.3Å; C381-G385 PolarHBondContact O-N 3.46Å
386	T	96.8	Very high	97.9	Very high	27 Å²	27	47 Å²	47	17%	0.166	25%	0.252	C	S	.	.			trans	-155.6	150.3	178.5	-172.1	0	0	0	0	110.7	V380 F384 D388 V394 L563	V380-T386 CarbonylContact C-O 3.59Å; V380-T386 VanDerWaalsContact O-O 3.13Å; F384-T386 HydrophobicContact CB-CG2 4.16Å; F384-T386 PolarHBondContact O-N 3.05Å; T386-D388 PolarHBondContact OG1-N 3.34Å; T386-V394 HydrophobicContact CG2-CG2 4.42Å; T386-L563 HydrophobicContact CG2-CD1 4.38Å; T386-L563 HydrophobicContact CG2-CD2 3.92Å
387	N	97	Very high	97.9	Very high	84 Å²	84	45.7 Å²	45.7	45%	0.449	25%	0.247	S	C	.	.			trans	-113.4	18.3	170.4	67.4	-18.4	0	0	0	112.3	V380 P389	V380-N387 HydrophobicContact CG2-CB 3.59Å; N387-P389 WeakPolarHBondContact O-CD 3.48Å
388	D	97.3	Very high	97.9	Very high	32 Å²	32	42.9 Å²	42.9	17%	0.171	23%	0.232	C	C	.	.			trans	-70.4	115.4	179.4	-170	-29.4	0	0	0	110.5	T386 R390 H391 V394 P557	T386-D388 PolarHBondContact OG1-N 3.34Å; D388-R390 PolarHBondContact O-N 3.41Å; D388-R390 VanDerWaalsContact OD1-CB 3.26Å; D388-R390 WeakPolarHBondContact OD1-CB 3.45Å; D388-R390 WeakPolarHBondContact OD1-CG 3.34Å; D388-R390 IonicContact OD1-CZ 3.58Å; D388-R390 PolarHBondContact OD1-N 3.29Å; D388-R390 IonicContact OD1-NE 3.49Å; D388-R390 PolarHBondContact OD1-NE 3.47Å; D388-R390 IonicContact OD1-NH2 2.71Å; D388-R390 IonicContact OD2-CZ 2.67Å; D388-R390 IonicContact OD2-NE 2.57Å; D388-R390 PolarHBondContact OD2-NE 2.89Å; D388-R390 IonicContact OD2-NH2 3.86Å; D388-R390 PolarHBondContact OD2-NH2 3.19Å; D388-H391 WeakPolarHBondContact O-CB 3.37Å; D388-H391 PolarHBondContact O-N 3.13Å; D388-V394 WeakPolarHBondContact O-CG1 3.35Å; D388-P557 HydrophobicContact CB-CG 4.46Å
389	P	97.2	Very high	97.9	Very high	80 Å²	80	47.3 Å²	47.3	52%	0.519	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-8.2	-176.9	29.6	-36.4	0	0	0	113.2	N387 H391 A395 L398	N387-P389 WeakPolarHBondContact O-CD 3.48Å; P389-H391 PolarHBondContact O-N 3.1Å; P389-A395 WeakPolarHBondContact O-CB 3.43Å; P389-L398 HydrophobicContact CB-CD1 4.08Å
390	R	96.6	Very high	97.8	Very high	159 Å²	159	47.8 Å²	47.8	60%	0.6	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.5	171.6	-62.2	174	-66.6	173.6	2.5	112.4	D388 P557	D388-R390 PolarHBondContact O-N 3.41Å; D388-R390 VanDerWaalsContact OD1-CB 3.26Å; D388-R390 WeakPolarHBondContact OD1-CB 3.45Å; D388-R390 WeakPolarHBondContact OD1-CG 3.34Å; D388-R390 IonicContact OD1-CZ 3.58Å; D388-R390 PolarHBondContact OD1-N 3.29Å; D388-R390 IonicContact OD1-NE 3.49Å; D388-R390 PolarHBondContact OD1-NE 3.47Å; D388-R390 IonicContact OD1-NH2 2.71Å; D388-R390 IonicContact OD2-CZ 2.67Å; D388-R390 IonicContact OD2-NE 2.57Å; D388-R390 PolarHBondContact OD2-NE 2.89Å; D388-R390 IonicContact OD2-NH2 3.86Å; D388-R390 PolarHBondContact OD2-NH2 3.19Å; R390-P557 HydrophobicContact CB-CB 3.63Å; R390-P557 HydrophobicContact CB-CG 3.99Å; R390-P557 PolarHBondContact NH2-O 2.62Å
391	H	97.8	Very high	97.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	27%	0.268	C	S	.	.	S	Bend	trans	-75.4	119.9	166.9	178.9	-69.7	0	0	0	108.9	F384 D388 P389 A393 V394 A395 M523 Y524	F384-H391 AromaticContact CD1-CE1 3.45Å; F384-H391 VanDerWaalsContact CD1-CE1 3.45Å; F384-H391 WeakPolarHBondContact CD1-CE1 3.29Å; F384-H391 AromaticContact CD1-NE2 3.89Å; F384-H391 AromaticContact CE1-CE1 3.65Å; D388-H391 WeakPolarHBondContact O-CB 3.37Å; D388-H391 PolarHBondContact O-N 3.13Å; P389-H391 PolarHBondContact O-N 3.1Å; H391-A393 PolarHBondContact ND1-N 3.28Å; H391-A393 PolarHBondContact O-N 2.92Å; H391-V394 HydrophobicContact CB-CB 3.93Å; H391-V394 HydrophobicContact CB-CG2 3.93Å; H391-V394 WeakPolarHBondContact ND1-CG2 3.37Å; H391-V394 PolarHBondContact ND1-N 2.64Å; H391-V394 WeakPolarHBondContact O-CA 3.4Å; H391-V394 WeakPolarHBondContact O-CB 3.02Å; H391-V394 PolarHBondContact O-N 3.03Å; H391-A395 PolarHBondContact O-N 3.44Å; H391-M523 PolarHBondContact CE1-O 3.02Å; H391-Y524 PolarHBondContact NE2-O 3.17Å
392	P	97.3	Very high	97.8	Very high	34 Å²	34	49.3 Å²	49.3	22%	0.221	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-34.6	-161.7	28	-37.1	0	0	0	113.6	V394 A395 Q396 W484 K486 I554	P392-V394 VanDerWaalsContact C-N 3.34Å; P392-A395 WeakPolarHBondContact O-CB 3.38Å; P392-Q396 PolarHBondContact O-N 2.8Å; P392-W484 HydrophobicContact CB-CH2 3.84Å; P392-W484 HydrophobicContact CB-CZ2 4.29Å; P392-W484 HydrophobicContact CG-CH2 4.11Å; P392-K486 HydrophobicContact CB-CB 4.3Å; P392-K486 HydrophobicContact CG-CB 3.81Å; P392-K486 HydrophobicContact CG-CD 4.28Å; P392-I554 HydrophobicContact CG-CD1 4.13Å
393	A	97.4	Very high	97.8	Very high	6 Å²	6	46.2 Å²	46.2	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-76.5	-21.9	173.3	0	0	0	0	0	113.2	F384 H391 V397 W484 M523	F384-A393 HydrophobicContact CE1-CB 3.83Å; F384-A393 HydrophobicContact CZ-CB 4.08Å; H391-A393 PolarHBondContact ND1-N 3.28Å; H391-A393 PolarHBondContact O-N 2.92Å; A393-V397 WeakPolarHBondContact O-CG2 3.46Å; A393-V397 PolarHBondContact O-N 3Å; A393-W484 HydrophobicContact CB-CZ3 4.21Å; A393-M523 WeakPolarHBondContact CB-O 3.28Å
394	V	98.4	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-73.4	-42.3	173.6	166.8	0	0	0	0	108.3	V380 F384 T386 D388 H391 P392 Q396 V397 L398	V380-V394 HydrophobicContact CB-CG1 4.08Å; V380-V394 HydrophobicContact CB-CG2 4.28Å; V380-V394 HydrophobicContact CG1-CG1 4.05Å; V380-V394 HydrophobicContact CG1-CG2 4.45Å; V380-V394 HydrophobicContact CG2-CG1 4.29Å; F384-V394 HydrophobicContact CB-CG2 4Å; F384-V394 HydrophobicContact CD1-CG2 4.02Å; F384-V394 HydrophobicContact CD2-CG2 3.76Å; F384-V394 HydrophobicContact CE1-CG2 4.43Å; F384-V394 HydrophobicContact CE2-CG2 4.21Å; F384-V394 HydrophobicContact CG-CG2 3.66Å; T386-V394 HydrophobicContact CG2-CG2 4.42Å; D388-V394 WeakPolarHBondContact O-CG1 3.35Å; H391-V394 HydrophobicContact CB-CB 3.93Å; H391-V394 HydrophobicContact CB-CG2 3.93Å; H391-V394 WeakPolarHBondContact ND1-CG2 3.37Å; H391-V394 PolarHBondContact ND1-N 2.64Å; H391-V394 WeakPolarHBondContact O-CA 3.4Å; H391-V394 WeakPolarHBondContact O-CB 3.02Å; H391-V394 PolarHBondContact O-N 3.03Å; P392-V394 VanDerWaalsContact C-N 3.34Å; V394-Q396 VanDerWaalsContact C-N 3.35Å; V394-Q396 PolarHBondContact O-N 3.13Å; V394-V397 PolarHBondContact O-N 2.85Å; V394-L398 HydrophobicContact CG1-CD1 3.73Å; V394-L398 HydrophobicContact CG1-CG 4.12Å; V394-L398 WeakPolarHBondContact O-CB 3.49Å; V394-L398 VanDerWaalsContact O-CG 3.32Å; V394-L398 WeakPolarHBondContact O-CG 3.4Å; V394-L398 PolarHBondContact O-N 2.93Å
395	A	98.3	Very high	97.9	Very high	14 Å²	14	45.9 Å²	45.9	12%	0.116	25%	0.254	C	S	.	.	H	α-helix	trans	-52.6	-51.5	171.8	0	0	0	0	0	111.5	P389 H391 P392 V397 L398 E399	P389-A395 WeakPolarHBondContact O-CB 3.43Å; H391-A395 PolarHBondContact O-N 3.44Å; P392-A395 WeakPolarHBondContact O-CB 3.38Å; A395-V397 VanDerWaalsContact C-N 3.31Å; A395-V397 PolarHBondContact O-N 3.4Å; A395-L398 PolarHBondContact O-N 3.02Å; A395-L398 VanDerWaalsContact O-N 3.13Å; A395-E399 WeakPolarHBondContact O-CB 3.49Å; A395-E399 VanDerWaalsContact O-CG 3.28Å; A395-E399 WeakPolarHBondContact O-CG 3.39Å; A395-E399 PolarHBondContact O-N 3.21Å
396	Q	98	Very high	97.9	Very high	66 Å²	66	42.7 Å²	42.7	31%	0.308	22%	0.221	S	C	.	.	H	α-helix	trans	-55.9	-43.5	178.2	-72.8	-174.7	2.9	0	0	112.9	P392 V394 S400	P392-Q396 PolarHBondContact O-N 2.8Å; V394-Q396 VanDerWaalsContact C-N 3.35Å; V394-Q396 PolarHBondContact O-N 3.13Å; Q396-S400 WeakPolarHBondContact O-CB 3.48Å; Q396-S400 PolarHBondContact O-N 2.96Å; Q396-S400 VanDerWaalsContact O-N 3.1Å
397	V	98.4	Very high	97.9	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-48.3	176.8	173.7	0	0	0	0	110.6	K376 V380 F384 A393 V394 A395 E399 S400	K376-V397 HydrophobicContact CB-CG1 4.45Å; K376-V397 WeakPolarHBondContact CD-O 3.49Å; V380-V397 HydrophobicContact CG1-CB 3.77Å; V380-V397 HydrophobicContact CG1-CG1 3.52Å; V380-V397 HydrophobicContact CG1-CG2 4.49Å; F384-V397 HydrophobicContact CE2-CG2 4.47Å; A393-V397 WeakPolarHBondContact O-CG2 3.46Å; A393-V397 PolarHBondContact O-N 3Å; V394-V397 PolarHBondContact O-N 2.85Å; A395-V397 VanDerWaalsContact C-N 3.31Å; A395-V397 PolarHBondContact O-N 3.4Å; V397-E399 VanDerWaalsContact C-N 3.3Å; V397-E399 PolarHBondContact O-N 3.42Å; V397-S400 PolarHBondContact O-N 3.45Å; V397-S400 PolarHBondContact O-OG 3.48Å
398	L	98.5	Very high	98	Very high	42 Å²	42	39.3 Å²	39.3	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-33.7	-178.5	-68.4	178.1	0	0	0	112.9	K376 V380 P389 V394 A395	K376-L398 HydrophobicContact CB-CD2 4.08Å; K376-L398 WeakPolarHBondContact CE-O 3.48Å; K376-L398 PolarHBondContact NZ-O 3.44Å; V380-L398 HydrophobicContact CG1-CD2 4.39Å; V380-L398 HydrophobicContact CG1-CG 4.47Å; V380-L398 HydrophobicContact CG2-CD2 4.23Å; P389-L398 HydrophobicContact CB-CD1 4.08Å; V394-L398 HydrophobicContact CG1-CD1 3.73Å; V394-L398 HydrophobicContact CG1-CG 4.12Å; V394-L398 WeakPolarHBondContact O-CB 3.49Å; V394-L398 VanDerWaalsContact O-CG 3.32Å; V394-L398 WeakPolarHBondContact O-CG 3.4Å; V394-L398 PolarHBondContact O-N 2.93Å; A395-L398 PolarHBondContact O-N 3.02Å; A395-L398 VanDerWaalsContact O-N 3.13Å
399	E	98	Very high	98	Very high	160 Å²	160	38.2 Å²	38.2	75%	0.748	20%	0.197	S	C	*	.	H	α-helix	trans	-81.7	-18.1	178.6	-70	169.1	-171.4	0	0	113.2	A395 V397	A395-E399 WeakPolarHBondContact O-CB 3.49Å; A395-E399 VanDerWaalsContact O-CG 3.28Å; A395-E399 WeakPolarHBondContact O-CG 3.39Å; A395-E399 PolarHBondContact O-N 3.21Å; V397-E399 VanDerWaalsContact C-N 3.3Å; V397-E399 PolarHBondContact O-N 3.42Å
400	S	97.9	Very high	98.1	Very high	30 Å²	30	35.6 Å²	35.6	21%	0.21	18%	0.182	C	C	.	.	S	Bend	trans	-72.2	174.2	179.1	75.2	0	0	0	0	113.7	H374 K376 Q396 V397	H374-S400 PolarHBondContact CE1-OG 3.01Å; K376-S400 PolarHBondContact NZ-O 3.13Å; Q396-S400 WeakPolarHBondContact O-CB 3.48Å; Q396-S400 PolarHBondContact O-N 2.96Å; Q396-S400 VanDerWaalsContact O-N 3.1Å; V397-S400 PolarHBondContact O-N 3.45Å; V397-S400 PolarHBondContact O-OG 3.48Å
401	G	98	Very high	98.2	Very high	17 Å²	17	28.1 Å²	28.1	18%	0.175	15%	0.154	C	C	.	.			trans	-57.9	156.7	-179.8	0	0	0	0	0	114.7	I340 H374 W403	I340-G401 CarbonylContact O-C 3.5Å; I340-G401 VanDerWaalsContact O-CA 3.27Å; I340-G401 WeakPolarHBondContact O-CA 3.41Å; H374-G401 PolarHBondContact ND1-O 3.1Å; G401-W403 VanDerWaalsContact C-N 3.29Å; G401-W403 PolarHBondContact O-N 3.27Å
402	N	98.5	Very high	98.1	Very high	75 Å²	75	28.6 Å²	28.6	40%	0.401	16%	0.157	S	C	.	.	S	Bend	trans	-81.2	-8.2	-176.7	-65.2	-39.1	0	0	0	113.7	I340 D342 H374 K376	I340-N402 PolarHBondContact O-N 3.13Å; D342-N402 PolarHBondContact OD2-ND2 3.38Å; H374-N402 WeakPolarHBondContact CB-O 3.5Å; H374-N402 PolarHBondContact N-O 2.76Å; K376-N402 VanDerWaalsContact CE-OD1 3.27Å; K376-N402 WeakPolarHBondContact CE-OD1 3.28Å; K376-N402 PolarHBondContact NZ-OD1 2.9Å
403	W	98.7	Very high	97.9	Very high	55 Å²	55	30.6 Å²	30.6	21%	0.208	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	153	-177.3	-58.4	92.2	0	0	0	110.5	P339 I340 D342 K345 I371 F372 E373 G401	P339-W403 CarbonylContact C-O 3.48Å; P339-W403 VanDerWaalsContact CA-O 3.31Å; P339-W403 WeakPolarHBondContact CA-O 3.45Å; I340-W403 HydrophobicContact CD1-CB 4.41Å; I340-W403 HydrophobicContact CG1-CB 3.77Å; I340-W403 PolarHBondContact N-O 3.43Å; I340-W403 PolarHBondContact O-N 2.8Å; D342-W403 PolarHBondContact OD1-NE1 2.87Å; K345-W403 HydrophobicContact CB-CG 4.36Å; K345-W403 HydrophobicContact CD-CB 4.46Å; K345-W403 HydrophobicContact CD-CD2 3.24Å; K345-W403 HydrophobicContact CD-CE3 3.66Å; K345-W403 HydrophobicContact CD-CG 3.59Å; K345-W403 HydrophobicContact CD-CH2 4.1Å; K345-W403 HydrophobicContact CD-CZ2 3.71Å; K345-W403 HydrophobicContact CD-CZ3 4.07Å; I371-W403 HydrophobicContact CG2-CB 3.92Å; I371-W403 HydrophobicContact CG2-CD2 4.33Å; I371-W403 HydrophobicContact CG2-CE3 3.96Å; I371-W403 HydrophobicContact CG2-CG 4.33Å; F372-W403 CarbonylContact O-C 3.59Å; F372-W403 WeakPolarHBondContact O-CA 3.3Å; E373-W403 HydrophobicContact CG-CE3 4.41Å; E373-W403 HydrophobicContact CG-CH2 4.23Å; E373-W403 HydrophobicContact CG-CZ3 3.87Å; G401-W403 VanDerWaalsContact C-N 3.29Å; G401-W403 PolarHBondContact O-N 3.27Å
404	L	98.8	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139	172.5	-64.3	178.9	0	0	0	109.5	Y294 V337 L338 P339 I371 F372 H374	Y294-L404 HydrophobicContact CD2-CD1 4.11Å; Y294-L404 HydrophobicContact CE2-CD1 3.96Å; Y294-L404 HydrophobicContact CG-CD1 4.47Å; V337-L404 HydrophobicContact CB-CD1 4.02Å; V337-L404 HydrophobicContact CB-CD2 3.85Å; V337-L404 HydrophobicContact CB-CG 4.37Å; V337-L404 HydrophobicContact CG1-CD1 3.94Å; V337-L404 HydrophobicContact CG2-CD1 4.13Å; V337-L404 HydrophobicContact CG2-CD2 3.67Å; L338-L404 WeakPolarHBondContact O-CA 3.4Å; P339-L404 HydrophobicContact CB-CD2 4.16Å; P339-L404 HydrophobicContact CG-CD2 4.06Å; I371-L404 VanDerWaalsContact CA-O 3.32Å; I371-L404 WeakPolarHBondContact CA-O 3.14Å; F372-L404 HydrophobicContact CD1-CB 4.28Å; F372-L404 HydrophobicContact CD2-CB 4.28Å; F372-L404 HydrophobicContact CD2-CD1 4.4Å; F372-L404 HydrophobicContact CE1-CB 3.8Å; F372-L404 HydrophobicContact CE2-CB 3.82Å; F372-L404 HydrophobicContact CE2-CD1 3.5Å; F372-L404 HydrophobicContact CE2-CG 4.21Å; F372-L404 HydrophobicContact CG-CB 4.5Å; F372-L404 HydrophobicContact CZ-CB 3.55Å; F372-L404 HydrophobicContact CZ-CD1 3.7Å; F372-L404 HydrophobicContact CZ-CG 4.27Å; F372-L404 PolarHBondContact N-O 2.99Å; F372-L404 VanDerWaalsContact N-O 3.09Å; F372-L404 PolarHBondContact O-N 3.38Å; H374-L404 HydrophobicContact CB-CD1 4.43Å; H374-L404 HydrophobicContact CB-CD2 4.2Å; H374-L404 HydrophobicContact CB-CG 3.86Å
405	L	98.7	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	110.7	175.7	177.1	61.1	0	0	0	109.4	V264 F288 L338 I340 L348 I354 L366 P369 I371	V264-L405 HydrophobicContact CG2-CD2 4.15Å; F288-L405 WeakPolarHBondContact CB-O 3.08Å; L338-L405 HydrophobicContact CB-CB 4.48Å; L338-L405 HydrophobicContact CD2-CD2 4.1Å; L338-L405 PolarHBondContact O-N 3.06Å; I340-L405 HydrophobicContact CD1-CB 4.23Å; I340-L405 HydrophobicContact CG2-CB 4.06Å; I340-L405 HydrophobicContact CG2-CD2 4.35Å; L348-L405 HydrophobicContact CD1-CD2 4.31Å; I354-L405 HydrophobicContact CD1-CD1 4.04Å; I354-L405 HydrophobicContact CD1-CD2 3.86Å; L366-L405 HydrophobicContact CD1-CD2 4.14Å; L366-L405 HydrophobicContact CD1-CG 3.94Å; L366-L405 HydrophobicContact CD2-CD1 4.3Å; L366-L405 HydrophobicContact CD2-CG 4.48Å; P369-L405 HydrophobicContact CB-CD1 3.67Å; I371-L405 HydrophobicContact CD1-CD1 4.44Å; I371-L405 HydrophobicContact CG1-CD1 3.78Å
406	G	98.3	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	160.5	171.6	0	0	0	0	0	111.7	F288 M289 P369 E370	F288-G406 VanDerWaalsContact O-CA 3.31Å; F288-G406 WeakPolarHBondContact O-CA 3.25Å; M289-G406 WeakPolarHBondContact O-CA 3.46Å; P369-G406 CarbonylContact C-O 3.58Å; P369-G406 WeakPolarHBondContact CA-O 3.38Å; E370-G406 PolarHBondContact N-O 3.25Å; E370-G406 PolarHBondContact O-N 3.05Å
407	G	97.4	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.8	176.1	177	0	0	0	0	0	113.2	G287 F288	G287-G407 WeakPolarHBondContact CA-O 3.26Å; F288-G407 PolarHBondContact O-N 3.32Å; F288-G407 VanDerWaalsContact O-N 3.09Å
408	D	97.6	Very high	97.3	Very high	40 Å²	40	43.2 Å²	43.2	21%	0.214	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.8	-178.3	-57	-52.3	0	0	0	109.9	S286 R290 H308 L366 S367	S286-D408 WeakPolarHBondContact CB-OD1 3.36Å; S286-D408 PolarHBondContact OG-OD1 3.23Å; R290-D408 IonicContact NH2-OD1 2.87Å; R290-D408 IonicContact NH2-OD2 3.67Å; R290-D408 PolarHBondContact NH2-OD2 2.92Å; R290-D408 VanDerWaalsContact NH2-OD2 3.11Å; H308-D408 IonicContact CE1-OD2 3.91Å; L366-D408 CarbonylContact C-O 3.38Å; L366-D408 VanDerWaalsContact CA-O 3.31Å; L366-D408 WeakPolarHBondContact CA-O 3.47Å; S367-D408 PolarHBondContact N-O 2.81Å; S367-D408 PolarHBondContact O-N 3.04Å
409	V	98.4	Very high	97.2	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.2	-172.3	172.6	0	0	0	0	109.9	L243 L274 S286 F288 A364 L366 V411	L243-V409 HydrophobicContact CD1-CB 4.18Å; L243-V409 HydrophobicContact CD1-CG1 4.5Å; L274-V409 HydrophobicContact CD1-CG1 3.64Å; S286-V409 PolarHBondContact O-N 2.98Å; F288-V409 HydrophobicContact CD2-CG2 4.08Å; A364-V409 HydrophobicContact CB-CG1 3.86Å; L366-V409 HydrophobicContact CB-CG2 4.41Å; L366-V409 HydrophobicContact CD1-CG2 4.24Å; L366-V409 HydrophobicContact CG-CG2 4.25Å; V409-V411 HydrophobicContact CG1-CG2 3.78Å
410	A	98.3	Very high	97.2	Very high	26 Å²	26	40 Å²	40	22%	0.215	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.2	169.7	0	0	0	0	0	109.2	V245 L254 A364 I365	V245-A410 HydrophobicContact CG2-CB 3.84Å; L254-A410 HydrophobicContact CD1-CB 4.44Å; A364-A410 CarbonylContact C-O 3.5Å; A364-A410 WeakPolarHBondContact CA-O 3.42Å; A364-A410 WeakPolarHBondContact CB-O 3.24Å; I365-A410 PolarHBondContact N-O 2.66Å; I365-A410 PolarHBondContact O-N 3.18Å
411	V	98.5	Very high	97.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	115.8	-177.2	-175.5	0	0	0	0	109.2	L243 F244 V245 L274 A278 Y363 A364 V409 Q413 I415	L243-V411 HydrophobicContact CB-CG2 4.16Å; L243-V411 WeakPolarHBondContact O-CB 3.14Å; L243-V411 PolarHBondContact O-N 3.21Å; F244-V411 WeakPolarHBondContact CA-O 3.43Å; F244-V411 HydrophobicContact CD1-CB 3.93Å; F244-V411 HydrophobicContact CD1-CG1 3.68Å; F244-V411 HydrophobicContact CE1-CB 4.32Å; F244-V411 HydrophobicContact CE1-CG1 3.7Å; V245-V411 PolarHBondContact N-O 3.41Å; L274-V411 HydrophobicContact CD1-CG2 3.97Å; L274-V411 HydrophobicContact CG-CG2 4.5Å; A278-V411 HydrophobicContact CB-CB 4.25Å; A278-V411 HydrophobicContact CB-CG1 4.17Å; A278-V411 HydrophobicContact CB-CG2 3.76Å; Y363-V411 WeakPolarHBondContact O-CG1 3.37Å; A364-V411 HydrophobicContact CB-CB 4.47Å; A364-V411 HydrophobicContact CB-CG2 4.09Å; V409-V411 HydrophobicContact CG1-CG2 3.78Å; V411-Q413 VanDerWaalsContact CG1-O 3.28Å; V411-Q413 WeakPolarHBondContact CG1-O 3.43Å; V411-I415 HydrophobicContact CG1-CD1 4.35Å
412	V	97.4	Very high	97.2	Very high	12 Å²	12	40.2 Å²	40.2	7%	0.073	22%	0.217	C	C	.	.			trans	-91.6	-7	-172.8	-65.2	0	0	0	0	112.9	V245 V251 L254 L255 V362 Y363	V245-V412 HydrophobicContact CG2-CG1 4.34Å; V251-V412 HydrophobicContact CG1-CB 4.25Å; V251-V412 WeakPolarHBondContact CG1-O 3.46Å; L254-V412 HydrophobicContact CB-CG1 3.77Å; L254-V412 HydrophobicContact CD1-CG1 3.64Å; L254-V412 HydrophobicContact CG-CG1 4.37Å; L255-V412 HydrophobicContact CD2-CG2 3.86Å; L255-V412 HydrophobicContact CG-CG2 4.36Å; V362-V412 HydrophobicContact CG1-CG2 4.29Å; Y363-V412 WeakPolarHBondContact O-CG2 3.15Å; Y363-V412 PolarHBondContact O-N 2.97Å
413	Q	91.8	Very high	97.1	Very high	77 Å²	77	43 Å²	43	36%	0.36	23%	0.226	S	C	.	.	S	Bend	trans	-148.8	137.4	-179.7	-177.4	165.2	-3.4	0	0	112.4	V411 I415	V411-Q413 VanDerWaalsContact CG1-O 3.28Å; V411-Q413 WeakPolarHBondContact CG1-O 3.43Å; Q413-I415 PolarHBondContact O-N 3.43Å
414	K	93.2	Very high	97.1	Very high	93 Å²	93	41.5 Å²	41.5	40%	0.404	22%	0.22	S	C	.	.			trans	-59.1	130.1	171.7	-170.7	168.7	-173.5	165.4	0	110.2	Q416 E430	K414-Q416 PolarHBondContact O-N 2.89Å; K414-E430 IonicContact NZ-OE1 3.25Å; K414-E430 PolarHBondContact NZ-OE1 2.86Å
415	I	96.9	Very high	97.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	22%	0.223	C	C	.	.			trans	-80.9	120.7	-178.3	-64	142.8	0	0	0	108.6	L271 L274 Q275 A278 Y363 V411 Q413 F417	L271-I415 HydrophobicContact CD1-CG1 4.28Å; L271-I415 HydrophobicContact CD1-CG2 4.22Å; L271-I415 HydrophobicContact CD2-CG2 4.3Å; L271-I415 HydrophobicContact CG-CG2 4.05Å; L274-I415 HydrophobicContact CD2-CD1 4.43Å; L274-I415 HydrophobicContact CG-CD1 4.08Å; Q275-I415 VanDerWaalsContact CA-CD1 3.48Å; Q275-I415 HydrophobicContact CB-CB 4.29Å; Q275-I415 HydrophobicContact CB-CD1 3.83Å; Q275-I415 HydrophobicContact CB-CG2 4.12Å; Q275-I415 HydrophobicContact CG-CB 4.26Å; Q275-I415 HydrophobicContact CG-CD1 4.36Å; Q275-I415 HydrophobicContact CG-CG2 4.34Å; A278-I415 HydrophobicContact CB-CD1 4.06Å; Y363-I415 HydrophobicContact CD1-CG1 3.77Å; Y363-I415 HydrophobicContact CE1-CG1 4.13Å; V411-I415 HydrophobicContact CG1-CD1 4.35Å; Q413-I415 PolarHBondContact O-N 3.43Å; I415-F417 HydrophobicContact CG2-CE2 4.24Å; I415-F417 HydrophobicContact CG2-CZ 4.14Å
416	Q	95.8	Very high	97.1	Very high	92 Å²	92	45.3 Å²	45.3	43%	0.43	24%	0.236	S	C	.	.			trans	-130.8	138.6	178	-66.1	-177.6	-43.4	0	0	108.6	K414	K414-Q416 PolarHBondContact O-N 2.89Å
417	F	95.9	Very high	97.1	Very high	43 Å²	43	45.6 Å²	45.6	19%	0.189	24%	0.238	C	C	.	.			trans	-97	-12.3	179.4	-63.7	-83.4	0	0	0	112.9	L271 Q272 I415 D419 D422	L271-F417 HydrophobicContact CD2-CE1 4.08Å; Q272-F417 HydrophobicContact CG-CE1 4.15Å; Q272-F417 HydrophobicContact CG-CZ 3.82Å; I415-F417 HydrophobicContact CG2-CE2 4.24Å; I415-F417 HydrophobicContact CG2-CZ 4.14Å; F417-D419 HydrophobicContact CB-CB 4.48Å; F417-D419 PolarHBondContact O-N 2.75Å; F417-D422 PolarHBondContact N-OD1 2.96Å; F417-D422 VanDerWaalsContact N-OD1 3.08Å; F417-D422 PolarHBondContact N-OD2 3.38Å
418	N	95.9	Very high	97.1	Very high	133 Å²	133	45.6 Å²	45.6	71%	0.711	24%	0.238	S	C	*	.			trans	54.2	35	179.1	-57.9	-59.2	0	0	0	112.9	D422	N418-D422 WeakPolarHBondContact CA-OD2 3.18Å; N418-D422 PolarHBondContact N-OD2 3.45Å
419	D	96.6	Very high	97	Very high	76 Å²	76	46.6 Å²	46.6	41%	0.406	24%	0.244	S	C	.	.	S	Bend	trans	-101.3	11	-177.5	64	-3.5	0	0	0	112.8	F417 L421 R425	F417-D419 HydrophobicContact CB-CB 4.48Å; F417-D419 PolarHBondContact O-N 2.75Å; D419-L421 PolarHBondContact O-N 2.8Å; D419-L421 WeakPolarHBondContact OD1-CB 3.49Å; D419-L421 PolarHBondContact OD1-N 2.59Å; D419-R425 IonicContact OD1-CZ 3.83Å; D419-R425 IonicContact OD1-NH1 2.91Å; D419-R425 PolarHBondContact OD1-NH1 2.78Å; D419-R425 IonicContact OD1-NH2 3.67Å; D419-R425 IonicContact OD2-CZ 3.76Å; D419-R425 IonicContact OD2-NH1 3.5Å; D419-R425 PolarHBondContact OD2-NH1 3.19Å; D419-R425 IonicContact OD2-NH2 3.26Å; D419-R425 PolarHBondContact OD2-NH2 3.13Å
420	G	97.6	Very high	96.9	Very high	59 Å²	59	49 Å²	49	61%	0.608	25%	0.254	S	S	*	.	S	Bend	trans	79.1	-0.2	-175.3	0	0	0	0	0	114.5
421	L	98.3	Very high	96.9	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	24%	0.244	C	C	.	.			trans	-109.4	-3.2	-177.2	-56.3	177.7	0	0	0	114	D419 K423 Y424 L492 D493 I496 I517	D419-L421 PolarHBondContact O-N 2.8Å; D419-L421 WeakPolarHBondContact OD1-CB 3.49Å; D419-L421 PolarHBondContact OD1-N 2.59Å; L421-K423 PolarHBondContact O-N 2.83Å; L421-Y424 HydrophobicContact CB-CD2 4.3Å; L421-Y424 HydrophobicContact CD2-CD2 4.11Å; L421-Y424 HydrophobicContact CD2-CE2 3.98Å; L421-Y424 WeakPolarHBondContact O-CD2 3.45Å; L421-Y424 PolarHBondContact O-N 2.82Å; L421-L492 HydrophobicContact CD1-CD2 3.93Å; L421-L492 HydrophobicContact CD1-CG 3.84Å; L421-D493 HydrophobicContact CD1-CB 4.1Å; L421-I496 HydrophobicContact CD1-CG1 4.49Å; L421-I496 HydrophobicContact CD2-CB 4.24Å; L421-I496 HydrophobicContact CD2-CG1 4.38Å; L421-I496 HydrophobicContact CD2-CG2 4.04Å; L421-I517 HydrophobicContact CB-CD1 3.88Å; L421-I517 HydrophobicContact CD1-CD1 4.42Å
422	D	98.3	Very high	96.6	Very high	33 Å²	33	50.1 Å²	50.1	18%	0.176	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.3	-27.9	-178.8	-68.1	-42.8	0	0	0	112.9	F417 N418 Y424 R425	F417-D422 PolarHBondContact N-OD1 2.96Å; F417-D422 VanDerWaalsContact N-OD1 3.08Å; F417-D422 PolarHBondContact N-OD2 3.38Å; N418-D422 WeakPolarHBondContact CA-OD2 3.18Å; N418-D422 PolarHBondContact N-OD2 3.45Å; D422-Y424 PolarHBondContact O-N 2.83Å; D422-R425 PolarHBondContact O-N 2.95Å; D422-R425 IonicContact OD1-CZ 2.75Å; D422-R425 IonicContact OD1-NH1 2.64Å; D422-R425 PolarHBondContact OD1-NH1 2.87Å
423	K	97.6	Very high	96.4	Very high	133 Å²	133	51.9 Å²	51.9	58%	0.578	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-60.4	-24.7	174.7	65.8	179.8	179.8	165.4	0	114.1	L421 K426	L421-K423 PolarHBondContact O-N 2.83Å; K423-K426 WeakPolarHBondContact O-CE 3.49Å; K423-K426 PolarHBondContact O-NZ 3.33Å
424	Y	98.4	Very high	96.6	Very high	25 Å²	25	50 Å²	50	10%	0.098	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-92.9	-10.5	175.6	-52.9	-82.7	0	0	0	112.8	L421 D422 K426 I496 E500 L515 S516 I517	L421-Y424 HydrophobicContact CB-CD2 4.3Å; L421-Y424 HydrophobicContact CD2-CD2 4.11Å; L421-Y424 HydrophobicContact CD2-CE2 3.98Å; L421-Y424 WeakPolarHBondContact O-CD2 3.45Å; L421-Y424 PolarHBondContact O-N 2.82Å; D422-Y424 PolarHBondContact O-N 2.83Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 3.14Å; Y424-I496 HydrophobicContact CD2-CG2 4.15Å; Y424-I496 HydrophobicContact CE1-CG2 4.39Å; Y424-I496 HydrophobicContact CE2-CG2 3.73Å; Y424-E500 VanDerWaalsContact OH-CD 3.28Å; Y424-E500 PolarHBondContact OH-OE1 2.69Å; Y424-L515 HydrophobicContact CD1-CD2 4.24Å; Y424-L515 HydrophobicContact CD1-CG 4.19Å; Y424-L515 HydrophobicContact CE1-CD2 4.07Å; Y424-L515 HydrophobicContact CE1-CG 4.5Å; Y424-S516 CarbonylContact O-C 3.58Å; Y424-S516 VanDerWaalsContact O-CA 3.31Å; Y424-S516 WeakPolarHBondContact O-CA 3.39Å; Y424-S516 PolarHBondContact O-OG 2.71Å; Y424-I517 HydrophobicContact CD2-CD1 4.33Å; Y424-I517 HydrophobicContact CG-CD1 4.38Å; Y424-I517 PolarHBondContact O-N 3.48Å
425	R	98.5	Very high	96.7	Very high	14 Å²	14	46 Å²	46	5%	0.053	24%	0.243	C	C	.	.			trans	-83.2	81.6	179.6	-66.2	-175.9	177.3	92.4	7.6	109.3	D419 D422 I517	D419-R425 IonicContact OD1-CZ 3.83Å; D419-R425 IonicContact OD1-NH1 2.91Å; D419-R425 PolarHBondContact OD1-NH1 2.78Å; D419-R425 IonicContact OD1-NH2 3.67Å; D419-R425 IonicContact OD2-CZ 3.76Å; D419-R425 IonicContact OD2-NH1 3.5Å; D419-R425 PolarHBondContact OD2-NH1 3.19Å; D419-R425 IonicContact OD2-NH2 3.26Å; D419-R425 PolarHBondContact OD2-NH2 3.13Å; D422-R425 PolarHBondContact O-N 2.95Å; D422-R425 IonicContact OD1-CZ 2.75Å; D422-R425 IonicContact OD1-NH1 2.64Å; D422-R425 PolarHBondContact OD1-NH1 2.87Å; R425-I517 HydrophobicContact CG-CB 4.04Å; R425-I517 HydrophobicContact CG-CD1 4.42Å; R425-I517 HydrophobicContact CG-CG2 4.17Å
426	K	98.4	Very high	96.3	Very high	65 Å²	65	49.1 Å²	49.1	28%	0.283	27%	0.269	S	S	.	.			trans	-88.6	133.2	178.7	-57.5	-54.5	-172.2	-173	0	110.9	W281 K423 Y424 E430 L431 I434 S516	W281-K426 WeakPolarHBondContact CZ2-O 3.47Å; K423-K426 WeakPolarHBondContact O-CE 3.49Å; K423-K426 PolarHBondContact O-NZ 3.33Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 3.14Å; K426-E430 VanDerWaalsContact CA-OE2 3.22Å; K426-E430 WeakPolarHBondContact CA-OE2 3.38Å; K426-E430 HydrophobicContact CB-CB 4.16Å; K426-E430 HydrophobicContact CD-CB 4.41Å; K426-L431 HydrophobicContact CB-CD2 3.79Å; K426-L431 HydrophobicContact CB-CG 3.74Å; K426-L431 HydrophobicContact CG-CD2 4.29Å; K426-I434 HydrophobicContact CD-CD1 4.26Å; K426-I434 HydrophobicContact CG-CD1 4.01Å; K426-S516 WeakPolarHBondContact CB-OG 3.3Å
427	T	98.2	Very high	96.1	Very high	7 Å²	7	52 Å²	52	4%	0.043	28%	0.283	C	S	.	.			trans	-66.8	163.2	170.9	80.3	0	0	0	0	110.4	E279 N429 E430 L431	E279-T427 HydrophobicContact CB-CG2 4.21Å; E279-T427 HydrophobicContact CG-CG2 3.81Å; T427-N429 VanDerWaalsContact C-N 3.26Å; T427-N429 PolarHBondContact O-N 3.44Å; T427-N429 PolarHBondContact OG1-N 3.15Å; T427-E430 HydrophobicContact CG2-CG 4.37Å; T427-E430 PolarHBondContact N-OE2 3.12Å; T427-E430 PolarHBondContact O-N 3.4Å; T427-E430 WeakPolarHBondContact OG1-CG 3.45Å; T427-E430 PolarHBondContact OG1-N 3.31Å; T427-E430 VanDerWaalsContact OG1-N 3.12Å; T427-L431 WeakPolarHBondContact O-CG 3.19Å; T427-L431 PolarHBondContact O-N 3.35Å
428	P	97.1	Very high	96	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-52.6	-42.3	172.4	-26.1	35.4	0	0	0	113.2	V240 E279 W281 L431 R432 A539 A540	V240-P428 HydrophobicContact CG1-CB 4.24Å; V240-P428 HydrophobicContact CG1-CG 4.37Å; V240-P428 HydrophobicContact CG2-CB 4.19Å; E279-P428 WeakPolarHBondContact O-CD 3.45Å; E279-P428 VanDerWaalsContact O-CG 3.3Å; E279-P428 WeakPolarHBondContact O-CG 3.29Å; W281-P428 HydrophobicContact CD2-CG 3.63Å; W281-P428 HydrophobicContact CE3-CG 3.78Å; W281-P428 HydrophobicContact CG-CG 4.16Å; W281-P428 HydrophobicContact CH2-CG 4Å; W281-P428 HydrophobicContact CZ2-CG 3.89Å; W281-P428 HydrophobicContact CZ3-CG 3.96Å; P428-L431 PolarHBondContact O-N 3.34Å; P428-R432 WeakPolarHBondContact O-CG 3.23Å; P428-R432 PolarHBondContact O-N 3.09Å; P428-A539 HydrophobicContact CB-CB 4.21Å; P428-A539 WeakPolarHBondContact CB-O 3.42Å; P428-A539 HydrophobicContact CG-CB 4.3Å; P428-A540 HydrophobicContact CB-CB 4.42Å
429	N	95.4	Very high	95.7	Very high	61 Å²	61	53.2 Å²	53.2	33%	0.326	29%	0.288	S	S	.	.	H	α-helix	trans	-72	-38.2	178.9	-72.9	-37.1	0	0	0	112.6	E242 T427 L431 R432 A433	E242-N429 PolarHBondContact OE1-ND2 3.43Å; T427-N429 VanDerWaalsContact C-N 3.26Å; T427-N429 PolarHBondContact O-N 3.44Å; T427-N429 PolarHBondContact OG1-N 3.15Å; N429-L431 VanDerWaalsContact C-N 3.29Å; N429-L431 PolarHBondContact O-N 3Å; N429-R432 PolarHBondContact O-N 2.98Å; N429-A433 PolarHBondContact O-N 3.43Å
430	E	96.9	Very high	95.3	Very high	60 Å²	60	50.9 Å²	50.9	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-38.3	171.8	-71.4	173.8	164.7	0	0	111.1	K414 K426 T427 A433 I434	K414-E430 IonicContact NZ-OE1 3.25Å; K414-E430 PolarHBondContact NZ-OE1 2.86Å; K426-E430 VanDerWaalsContact CA-OE2 3.22Å; K426-E430 WeakPolarHBondContact CA-OE2 3.38Å; K426-E430 HydrophobicContact CB-CB 4.16Å; K426-E430 HydrophobicContact CD-CB 4.41Å; T427-E430 HydrophobicContact CG2-CG 4.37Å; T427-E430 PolarHBondContact N-OE2 3.12Å; T427-E430 PolarHBondContact O-N 3.4Å; T427-E430 WeakPolarHBondContact OG1-CG 3.45Å; T427-E430 PolarHBondContact OG1-N 3.31Å; T427-E430 VanDerWaalsContact OG1-N 3.12Å; E430-A433 PolarHBondContact O-N 3.09Å; E430-I434 WeakPolarHBondContact O-CD1 3.27Å; E430-I434 VanDerWaalsContact O-CG1 3.27Å; E430-I434 WeakPolarHBondContact O-CG1 3.18Å; E430-I434 PolarHBondContact O-N 3.01Å
431	L	97.6	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-45.4	174.1	-73.5	172	0	0	0	112.5	W281 K426 T427 P428 N429 A433 I434 F435 L477 V514 A540	W281-L431 HydrophobicContact CH2-CD1 3.67Å; W281-L431 HydrophobicContact CZ2-CD1 4.37Å; K426-L431 HydrophobicContact CB-CD2 3.79Å; K426-L431 HydrophobicContact CB-CG 3.74Å; K426-L431 HydrophobicContact CG-CD2 4.29Å; T427-L431 WeakPolarHBondContact O-CG 3.19Å; T427-L431 PolarHBondContact O-N 3.35Å; P428-L431 PolarHBondContact O-N 3.34Å; N429-L431 VanDerWaalsContact C-N 3.29Å; N429-L431 PolarHBondContact O-N 3Å; L431-A433 VanDerWaalsContact C-N 3.27Å; L431-A433 PolarHBondContact O-N 3.46Å; L431-I434 WeakPolarHBondContact O-CB 3.35Å; L431-I434 PolarHBondContact O-N 3.47Å; L431-I434 VanDerWaalsContact O-N 3.14Å; L431-F435 HydrophobicContact CB-CE2 3.85Å; L431-F435 HydrophobicContact CB-CZ 4.2Å; L431-F435 HydrophobicContact CD2-CZ 4.24Å; L431-F435 WeakPolarHBondContact O-CD2 3.18Å; L431-F435 WeakPolarHBondContact O-CE2 3.32Å; L431-F435 VanDerWaalsContact O-CG 3.26Å; L431-F435 WeakPolarHBondContact O-CG 3.39Å; L431-F435 PolarHBondContact O-N 2.94Å; L431-L477 HydrophobicContact CD1-CD1 4.47Å; L431-L477 HydrophobicContact CD1-CD2 4.18Å; L431-L477 HydrophobicContact CD2-CD1 3.92Å; L431-V514 HydrophobicContact CD2-CG1 4.16Å; L431-A540 HydrophobicContact CB-CB 4.29Å; L431-A540 HydrophobicContact CD1-CB 3.85Å
432	R	93.6	Very high	94	Very high	50 Å²	50	50.7 Å²	50.7	19%	0.189	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-44.5	174.7	-72.2	174.8	-173.3	-154.3	2.8	111	V237 P238 V240 P428 N429 F435 A436 A539	V237-R432 PolarHBondContact O-NH1 3.02Å; P238-R432 PolarHBondContact O-NH1 3.49Å; P238-R432 VanDerWaalsContact O-NH1 3.14Å; P238-R432 PolarHBondContact O-NH2 2.94Å; V240-R432 VanDerWaalsContact CG2-CZ 3.48Å; P428-R432 WeakPolarHBondContact O-CG 3.23Å; P428-R432 PolarHBondContact O-N 3.09Å; N429-R432 PolarHBondContact O-N 2.98Å; R432-F435 PolarHBondContact O-N 3.16Å; R432-A436 PolarHBondContact O-N 3.46Å; R432-A539 PolarHBondContact NE-O 2.83Å; R432-A539 PolarHBondContact NH2-O 3.42Å
433	A	92.4	Very high	93.8	Very high	48 Å²	48	49.4 Å²	49.4	40%	0.397	26%	0.258	S	S	.	.	H	α-helix	trans	-60.7	-46	175.6	0	0	0	0	0	112.1	N429 E430 L431 F435 A436 E437	N429-A433 PolarHBondContact O-N 3.43Å; E430-A433 PolarHBondContact O-N 3.09Å; L431-A433 VanDerWaalsContact C-N 3.27Å; L431-A433 PolarHBondContact O-N 3.46Å; A433-F435 VanDerWaalsContact C-N 3.31Å; A433-F435 PolarHBondContact O-N 3.1Å; A433-A436 PolarHBondContact O-N 2.91Å; A433-E437 WeakPolarHBondContact O-CG 3.27Å; A433-E437 PolarHBondContact O-N 3.26Å
434	I	96.1	Very high	93.7	Very high	37 Å²	37	43.1 Å²	43.1	19%	0.19	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-40.8	176.5	-69.9	162.4	0	0	0	111.7	K426 E430 L431 K438 V514	K426-I434 HydrophobicContact CD-CD1 4.26Å; K426-I434 HydrophobicContact CG-CD1 4.01Å; E430-I434 WeakPolarHBondContact O-CD1 3.27Å; E430-I434 VanDerWaalsContact O-CG1 3.27Å; E430-I434 WeakPolarHBondContact O-CG1 3.18Å; E430-I434 PolarHBondContact O-N 3.01Å; L431-I434 WeakPolarHBondContact O-CB 3.35Å; L431-I434 PolarHBondContact O-N 3.47Å; L431-I434 VanDerWaalsContact O-N 3.14Å; I434-K438 HydrophobicContact CG2-CD 4.32Å; I434-K438 WeakPolarHBondContact O-CB 3.33Å; I434-K438 WeakPolarHBondContact O-CG 3.26Å; I434-K438 PolarHBondContact O-N 3.43Å; I434-V514 HydrophobicContact CG2-CG1 4.12Å; I434-V514 HydrophobicContact CG2-CG2 3.81Å
435	F	94.4	Very high	93.6	Very high	11 Å²	11	41.9 Å²	41.9	5%	0.048	23%	0.226	C	C	.	.	H	α-helix	trans	-68.7	-38.9	178.4	-58.2	-41.2	0	0	0	112.1	L431 R432 A433 K438 N439 A440 V443 I475 L477 V514 I542	L431-F435 HydrophobicContact CB-CE2 3.85Å; L431-F435 HydrophobicContact CB-CZ 4.2Å; L431-F435 HydrophobicContact CD2-CZ 4.24Å; L431-F435 WeakPolarHBondContact O-CD2 3.18Å; L431-F435 WeakPolarHBondContact O-CE2 3.32Å; L431-F435 VanDerWaalsContact O-CG 3.26Å; L431-F435 WeakPolarHBondContact O-CG 3.39Å; L431-F435 PolarHBondContact O-N 2.94Å; R432-F435 PolarHBondContact O-N 3.16Å; A433-F435 VanDerWaalsContact C-N 3.31Å; A433-F435 PolarHBondContact O-N 3.1Å; F435-K438 CarbonylContact O-C 3.59Å; F435-K438 PolarHBondContact O-N 3.25Å; F435-N439 PolarHBondContact O-N 2.97Å; F435-A440 HydrophobicContact CB-CB 4.09Å; F435-A440 WeakPolarHBondContact O-CB 3.28Å; F435-A440 PolarHBondContact O-N 3.44Å; F435-V443 HydrophobicContact CB-CG2 4.09Å; F435-V443 HydrophobicContact CD1-CG1 4.05Å; F435-V443 HydrophobicContact CD1-CG2 4.13Å; F435-V443 HydrophobicContact CD2-CG1 4.25Å; F435-V443 HydrophobicContact CD2-CG2 3.95Å; F435-V443 HydrophobicContact CE1-CG1 3.76Å; F435-V443 HydrophobicContact CE2-CG1 3.96Å; F435-V443 HydrophobicContact CE2-CG2 4.47Å; F435-V443 HydrophobicContact CG-CG1 4.32Å; F435-V443 HydrophobicContact CG-CG2 3.8Å; F435-V443 HydrophobicContact CZ-CG1 3.73Å; F435-I475 HydrophobicContact CD1-CG2 4.03Å; F435-I475 HydrophobicContact CE1-CG2 4.12Å; F435-L477 HydrophobicContact CE1-CB 4.45Å; F435-L477 HydrophobicContact CZ-CB 4.01Å; F435-L477 HydrophobicContact CZ-CD1 4.11Å; F435-L477 HydrophobicContact CZ-CD2 3.99Å; F435-L477 HydrophobicContact CZ-CG 4.22Å; F435-V514 HydrophobicContact CD1-CG2 4.31Å; F435-V514 HydrophobicContact CE1-CB 4.09Å; F435-V514 HydrophobicContact CE1-CG1 4.31Å; F435-V514 HydrophobicContact CE1-CG2 3.91Å; F435-I542 HydrophobicContact CE2-CD1 3.97Å; F435-I542 HydrophobicContact CZ-CD1 4.23Å
436	A	88.4	Confident	93.6	Very high	68 Å²	68	41.6 Å²	41.6	56%	0.562	23%	0.225	S	C	*	.	H	α-helix	trans	-63.1	-47.1	173.9	0	0	0	0	0	111.5	R432 A433 K438 N439	R432-A436 PolarHBondContact O-N 3.46Å; A433-A436 PolarHBondContact O-N 2.91Å; A436-K438 PolarHBondContact O-N 3.35Å; A436-N439 WeakPolarHBondContact O-CA 3.4Å; A436-N439 PolarHBondContact O-N 2.97Å
437	E	93.1	Very high	93.5	Very high	152 Å²	152	39.8 Å²	39.8	71%	0.71	22%	0.217	S	C	*	.	H	α-helix	trans	-58.5	-36.4	175.2	-73.9	175.3	-173.1	0	0	112.4	A433 N439	A433-E437 WeakPolarHBondContact O-CG 3.27Å; A433-E437 PolarHBondContact O-N 3.26Å; E437-N439 PolarHBondContact O-N 3.43Å
438	K	93.4	Very high	93.4	Very high	71 Å²	71	40 Å²	40	31%	0.309	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-0.8	175.2	-77.4	-176.2	165.4	-69.4	0	113.9	I434 F435 A436 A440 N473 I475 E511 V514	I434-K438 HydrophobicContact CG2-CD 4.32Å; I434-K438 WeakPolarHBondContact O-CB 3.33Å; I434-K438 WeakPolarHBondContact O-CG 3.26Å; I434-K438 PolarHBondContact O-N 3.43Å; F435-K438 CarbonylContact O-C 3.59Å; F435-K438 PolarHBondContact O-N 3.25Å; A436-K438 PolarHBondContact O-N 3.35Å; K438-A440 PolarHBondContact O-N 2.88Å; K438-N473 PolarHBondContact O-ND2 3.37Å; K438-I475 HydrophobicContact CB-CD1 4.43Å; K438-I475 HydrophobicContact CB-CG1 4.47Å; K438-I475 HydrophobicContact CD-CD1 4.34Å; K438-I475 HydrophobicContact CD-CG2 4.48Å; K438-E511 PolarHBondContact NZ-O 3.26Å; K438-V514 HydrophobicContact CD-CG2 3.8Å
439	N	88.8	Confident	93.4	Very high	130 Å²	130	41.9 Å²	41.9	70%	0.695	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.9	-173.7	-58.2	-72	0	0	0	112.1	F435 A436 E437 N473	F435-N439 PolarHBondContact O-N 2.97Å; A436-N439 WeakPolarHBondContact O-CA 3.4Å; A436-N439 PolarHBondContact O-N 2.97Å; E437-N439 PolarHBondContact O-N 3.43Å; N439-N473 PolarHBondContact O-ND2 3.06Å
440	A	88.8	Confident	93.3	Very high	28 Å²	28	42.1 Å²	42.1	23%	0.231	23%	0.226	C	C	.	.			trans	-69.7	129.3	178.1	0	0	0	0	0	110.2	F435 K438 V443 N473 I475	F435-A440 HydrophobicContact CB-CB 4.09Å; F435-A440 WeakPolarHBondContact O-CB 3.28Å; F435-A440 PolarHBondContact O-N 3.44Å; K438-A440 PolarHBondContact O-N 2.88Å; A440-V443 HydrophobicContact CB-CG2 4Å; A440-N473 WeakPolarHBondContact CA-O 3.47Å; A440-I475 HydrophobicContact CB-CB 4.09Å; A440-I475 HydrophobicContact CB-CG1 3.52Å
441	D	82.1	Confident	93.2	Very high	70 Å²	70	39.7 Å²	39.7	37%	0.374	22%	0.216	S	C	.	.	S	Bend	trans	-107.7	-0.8	172.6	66.1	-13	0	0	0	113	H471 K472 N473	D441-H471 PolarHBondContact O-ND1 3.42Å; D441-K472 PolarHBondContact OD1-N 3.27Å; D441-K472 WeakPolarHBondContact OD2-CA 3.38Å; D441-K472 WeakPolarHBondContact OD2-CB 3.49Å; D441-K472 PolarHBondContact OD2-N 2.95Å; D441-N473 PolarHBondContact N-O 2.83Å; D441-N473 VanDerWaalsContact OD1-CA 3.28Å; D441-N473 WeakPolarHBondContact OD1-CA 3.46Å; D441-N473 PolarHBondContact OD1-N 3.03Å; D441-N473 VanDerWaalsContact OD1-O 3.14Å; D441-N473 PolarHBondContact OD2-N 3.09Å
442	A	87.2	Confident	93.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	143.8	162	0	0	0	0	0	109.7	H471 P474 I475	A442-H471 HydrophobicContact CB-CB 4.02Å; A442-P474 HydrophobicContact CB-CB 4.46Å; A442-P474 CarbonylContact O-C 3.55Å; A442-P474 VanDerWaalsContact O-CA 3.25Å; A442-P474 WeakPolarHBondContact O-CA 3.33Å; A442-I475 PolarHBondContact O-N 3.27Å
443	V	93.6	Very high	93	Very high	7 Å²	7	39 Å²	39	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.8	170.8	-162.8	0	0	0	0	109.9	F435 A440 I475 L477 I542 Q543 H544	F435-V443 HydrophobicContact CB-CG2 4.09Å; F435-V443 HydrophobicContact CD1-CG1 4.05Å; F435-V443 HydrophobicContact CD1-CG2 4.13Å; F435-V443 HydrophobicContact CD2-CG1 4.25Å; F435-V443 HydrophobicContact CD2-CG2 3.95Å; F435-V443 HydrophobicContact CE1-CG1 3.76Å; F435-V443 HydrophobicContact CE2-CG1 3.96Å; F435-V443 HydrophobicContact CE2-CG2 4.47Å; F435-V443 HydrophobicContact CG-CG1 4.32Å; F435-V443 HydrophobicContact CG-CG2 3.8Å; F435-V443 HydrophobicContact CZ-CG1 3.73Å; A440-V443 HydrophobicContact CB-CG2 4Å; V443-I475 WeakPolarHBondContact CA-O 3.25Å; V443-I475 WeakPolarHBondContact CG1-O 3.49Å; V443-L477 HydrophobicContact CG1-CB 4.27Å; V443-I542 HydrophobicContact CB-CD1 3.68Å; V443-I542 HydrophobicContact CG1-CD1 3.25Å; V443-Q543 PolarHBondContact O-N 2.89Å; V443-H544 PolarHBondContact O-N 3.46Å
444	F	95.4	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.3	176.8	64.6	-82	0	0	0	111.1	T463 R464 L467 P474 I475 L476 L477 W512 H544 I546	F444-T463 HydrophobicContact CB-CG2 4.21Å; F444-T463 HydrophobicContact CD2-CG2 3.58Å; F444-T463 HydrophobicContact CE2-CG2 3.99Å; F444-T463 HydrophobicContact CG-CG2 3.89Å; F444-R464 HydrophobicContact CE1-CB 4.2Å; F444-R464 HydrophobicContact CZ-CB 3.82Å; F444-L467 HydrophobicContact CB-CD1 3.89Å; F444-L467 HydrophobicContact CD1-CD1 3.53Å; F444-L467 HydrophobicContact CE1-CD1 4.27Å; F444-L467 HydrophobicContact CG-CD1 3.88Å; F444-P474 HydrophobicContact CD1-CB 4.2Å; F444-P474 HydrophobicContact CE1-CB 3.95Å; F444-I475 VanDerWaalsContact CD1-O 3.22Å; F444-I475 WeakPolarHBondContact CD1-O 3.3Å; F444-I475 PolarHBondContact N-O 3.3Å; F444-L476 HydrophobicContact CD2-CB 4.44Å; F444-L476 HydrophobicContact CD2-CD1 3.84Å; F444-L476 HydrophobicContact CE1-CB 4.14Å; F444-L476 HydrophobicContact CE2-CB 3.75Å; F444-L476 HydrophobicContact CE2-CD1 3.58Å; F444-L476 HydrophobicContact CE2-CG 4.16Å; F444-L476 HydrophobicContact CZ-CB 3.55Å; F444-L476 HydrophobicContact CZ-CD1 4.31Å; F444-L476 HydrophobicContact CZ-CG 4.44Å; F444-L476 WeakPolarHBondContact O-CA 3.33Å; F444-L477 PolarHBondContact O-N 3.04Å; F444-W512 HydrophobicContact CZ-CE3 4.37Å; F444-W512 HydrophobicContact CZ-CZ3 4.27Å; F444-H544 CarbonylContact C-O 3.57Å; F444-H544 VanDerWaalsContact CA-O 3.25Å; F444-H544 WeakPolarHBondContact CA-O 3.33Å; F444-H544 HydrophobicContact CB-CB 3.65Å; F444-I546 HydrophobicContact CD2-CD1 3.84Å; F444-I546 HydrophobicContact CE2-CD1 4.32Å
445	A	96.9	Very high	92.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.1	-175.7	0	0	0	0	0	112.5	L477 R537 I542 H544 Y545 I546	A445-L477 HydrophobicContact CB-CB 4.41Å; A445-R537 HydrophobicContact CB-CB 4.41Å; A445-R537 HydrophobicContact CB-CG 3.88Å; A445-I542 HydrophobicContact CB-CG1 4.24Å; A445-I542 HydrophobicContact CB-CG2 3.77Å; A445-H544 PolarHBondContact N-O 2.78Å; A445-Y545 HydrophobicContact CB-CD2 4.25Å; A445-I546 PolarHBondContact O-N 3.31Å; A445-I546 VanDerWaalsContact O-N 3.16Å
446	F	97.4	Very high	92.7	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	103.7	168.5	-166.2	-97.6	0	0	0	109.7	L448 H456 M460 L476 L477 L478 H479 I546 F587	F446-L448 HydrophobicContact CD1-CB 4.2Å; F446-L448 HydrophobicContact CD1-CD1 4.4Å; F446-L448 HydrophobicContact CD1-CD2 4.1Å; F446-L448 HydrophobicContact CD1-CG 4.48Å; F446-L448 HydrophobicContact CE1-CB 4Å; F446-L448 HydrophobicContact CE1-CD1 4.34Å; F446-L448 WeakPolarHBondContact O-CD2 3.47Å; F446-H456 HydrophobicContact CE1-CB 4.16Å; F446-H456 HydrophobicContact CZ-CB 3.89Å; F446-H456 AromaticContact CZ-CD2 3.81Å; F446-H456 AromaticContact CZ-CG 3.9Å; F446-M460 HydrophobicContact CB-CG 4.14Å; F446-M460 HydrophobicContact CB-SD 3.8Å; F446-M460 HydrophobicContact CD1-CE 4.15Å; F446-M460 HydrophobicContact CD1-SD 3.86Å; F446-M460 HydrophobicContact CD2-CG 3.86Å; F446-M460 HydrophobicContact CD2-SD 4.23Å; F446-M460 HydrophobicContact CE1-CE 4.28Å; F446-M460 HydrophobicContact CE2-CG 4.42Å; F446-M460 HydrophobicContact CG-CE 4.46Å; F446-M460 HydrophobicContact CG-CG 3.94Å; F446-M460 HydrophobicContact CG-SD 3.7Å; F446-L476 HydrophobicContact CB-CD1 3.97Å; F446-L477 PolarHBondContact N-O 3.13Å; F446-L478 HydrophobicContact CD1-CD1 4.18Å; F446-H479 PolarHBondContact O-N 2.75Å; F446-I546 HydrophobicContact CD2-CB 4.01Å; F446-I546 HydrophobicContact CD2-CD1 3.95Å; F446-I546 HydrophobicContact CD2-CG2 4.03Å; F446-I546 HydrophobicContact CE2-CG2 4.21Å; F446-F587 AromaticContact CE2-CE2 3.74Å; F446-F587 HydrophobicContact CE2-CE2 3.74Å; F446-F587 AromaticContact CE2-CZ 3.53Å; F446-F587 HydrophobicContact CE2-CZ 3.53Å; F446-F587 HydrophobicContact CZ-CE2 4.47Å; F446-F587 AromaticContact CZ-CZ 3.86Å; F446-F587 HydrophobicContact CZ-CZ 3.86Å
447	Q	97.4	Very high	93	Very high	27 Å²	27	34.1 Å²	34.1	13%	0.126	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.2	171.3	164.7	59.6	8.2	0	0	110.2	H479 H533 R537 Y545	Q447-H479 PolarHBondContact OE1-O 3.24Å; Q447-H533 HydrophobicContact CG-CB 4.12Å; Q447-H533 PolarHBondContact NE2-CE1 2.92Å; Q447-R537 VanDerWaalsContact OE1-NH1 3.17Å; Q447-Y545 HydrophobicContact CB-CE2 4.41Å; Q447-Y545 VanDerWaalsContact CB-OH 3.32Å; Q447-Y545 WeakPolarHBondContact CB-OH 3.38Å
448	L	96.3	Very high	92.9	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.058	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	152.4	175	68.5	172	0	0	0	113	F446 I452 L478 P480 L481 H499	F446-L448 HydrophobicContact CD1-CB 4.2Å; F446-L448 HydrophobicContact CD1-CD1 4.4Å; F446-L448 HydrophobicContact CD1-CD2 4.1Å; F446-L448 HydrophobicContact CD1-CG 4.48Å; F446-L448 HydrophobicContact CE1-CB 4Å; F446-L448 HydrophobicContact CE1-CD1 4.34Å; F446-L448 WeakPolarHBondContact O-CD2 3.47Å; L448-I452 HydrophobicContact CD1-CD1 3.85Å; L448-I452 HydrophobicContact CD1-CG1 3.47Å; L448-I452 VanDerWaalsContact CD1-CG1 3.47Å; L448-L478 HydrophobicContact CD1-CD1 4.03Å; L448-L478 HydrophobicContact CD2-CD1 3.68Å; L448-L478 HydrophobicContact CD2-CG 4.41Å; L448-P480 HydrophobicContact CD2-CB 4.19Å; L448-P480 VanDerWaalsContact CD2-N 3.31Å; L448-P480 HydrophobicContact CG-CB 4.33Å; L448-P480 CarbonylContact O-C 3.56Å; L448-P480 VanDerWaalsContact O-CA 3.29Å; L448-P480 WeakPolarHBondContact O-CA 3.15Å; L448-L481 PolarHBondContact O-N 2.86Å; L448-H499 WeakPolarHBondContact CD1-NE2 3.44Å
449	R	95.6	Very high	92.7	Very high	41 Å²	41	25.3 Å²	25.3	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	-123.9	-2.4	168.4	73	178	-168.1	-103.3	7.5	112.9	D489 R495 G553	R449-D489 WeakPolarHBondContact CD-OD2 3.46Å; R449-D489 IonicContact NE-OD2 3.5Å; R449-D489 PolarHBondContact NE-OD2 3.5Å; R449-R495 WeakPolarHBondContact O-CD 3.4Å; R449-R495 PolarHBondContact O-NE 3.05Å; R449-G553 PolarHBondContact NH1-O 3.43Å; R449-G553 PolarHBondContact NH2-O 3.06Å
450	N	93.5	Very high	93.1	Very high	65 Å²	65	19.1 Å²	19.1	35%	0.348	10%	0.1	S	C	.	.	S	Bend	trans	-115.6	159.4	-172.8	-70	-47.4	0	0	0	110.4
451	P	95	Very high	93.4	Very high	9 Å²	9	23 Å²	23	6%	0.058	11%	0.109	C	C	.	.			trans	-55	148.7	168.6	-24.3	34.5	0	0	0	113.3	V490 Q498 L641	P451-V490 HydrophobicContact CG-CB 4.19Å; P451-V490 HydrophobicContact CG-CG1 4.42Å; P451-V490 HydrophobicContact CG-CG2 3.83Å; P451-Q498 HydrophobicContact CB-CG 4.29Å; P451-L641 HydrophobicContact CB-CD1 3.61Å; P451-L641 HydrophobicContact CB-CD2 3.84Å; P451-L641 HydrophobicContact CB-CG 4.29Å; P451-L641 HydrophobicContact CG-CD1 3.98Å; P451-L641 HydrophobicContact CG-CD2 3.49Å; P451-L641 VanDerWaalsContact CG-CD2 3.49Å; P451-L641 HydrophobicContact CG-CG 4.39Å
452	I	94.4	Very high	93.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.			trans	-86	121.5	180	-64.1	166.2	0	0	0	109.6	L448 H456 M460 L478 Q498 H499 V502 L508	L448-I452 HydrophobicContact CD1-CD1 3.85Å; L448-I452 HydrophobicContact CD1-CG1 3.47Å; L448-I452 VanDerWaalsContact CD1-CG1 3.47Å; I452-H456 HydrophobicContact CG2-CB 4.2Å; I452-M460 HydrophobicContact CG2-CE 4.28Å; I452-L478 HydrophobicContact CD1-CD1 3.74Å; I452-L478 HydrophobicContact CD1-CD2 3.64Å; I452-L478 HydrophobicContact CD1-CG 4.26Å; I452-Q498 PolarHBondContact O-NE2 3.11Å; I452-H499 HydrophobicContact CD1-CB 4.18Å; I452-H499 WeakPolarHBondContact CD1-ND1 3.47Å; I452-V502 HydrophobicContact CB-CG2 4.19Å; I452-V502 HydrophobicContact CG2-CG1 4.04Å; I452-V502 HydrophobicContact CG2-CG2 4.27Å; I452-L508 HydrophobicContact CD1-CD1 4.45Å
453	H	92.8	Very high	94.2	Very high	37 Å²	37	21.2 Å²	21.2	17%	0.171	10%	0.1	C	C	.	.			trans	-104.7	169.7	163.1	59.7	88.9	0	0	0	109.9	G455 H456 A457 F632 M633	H453-G455 PolarHBondContact ND1-N 3.24Å; H453-G455 PolarHBondContact O-N 2.92Å; H453-H456 AromaticContact CD2-CE1 3.55Å; H453-H456 AromaticContact CD2-ND1 3.64Å; H453-H456 AromaticContact NE2-CD2 3.9Å; H453-H456 AromaticContact NE2-CE1 3.25Å; H453-H456 PolarHBondContact NE2-CE1 2.84Å; H453-H456 VanDerWaalsContact NE2-CE1 3.25Å; H453-H456 AromaticContact NE2-ND1 3.64Å; H453-H456 AromaticContact NE2-NE2 3.44Å; H453-H456 PolarHBondContact NE2-NE2 2.72Å; H453-H456 PolarHBondContact O-N 2.78Å; H453-A457 PolarHBondContact O-N 2.89Å; H453-F632 HydrophobicContact CB-CE1 4.03Å; H453-F632 HydrophobicContact CB-CE2 4.28Å; H453-F632 HydrophobicContact CB-CZ 3.9Å; H453-M633 HydrophobicContact CB-CE 3.86Å
454	N	93.3	Very high	94.3	Very high	23 Å²	23	22.5 Å²	22.5	12%	0.123	10%	0.104	C	C	.	.	H	α-helix	trans	-66.3	-11.5	-173.3	-69	-9.1	0	0	0	113.7	L458 V507 M599 G631 F632	N454-L458 VanDerWaalsContact O-CB 3.32Å; N454-L458 WeakPolarHBondContact O-CB 3.3Å; N454-L458 PolarHBondContact O-N 3.43Å; N454-V507 WeakPolarHBondContact OD1-CG1 3.4Å; N454-M599 HydrophobicContact CB-CB 4.12Å; N454-M599 HydrophobicContact CB-CG 3.64Å; N454-G631 WeakPolarHBondContact CB-O 3.22Å; N454-G631 PolarHBondContact ND2-O 2.9Å; N454-F632 VanDerWaalsContact CB-O 3.28Å; N454-F632 WeakPolarHBondContact CB-O 3.33Å; N454-F632 PolarHBondContact N-O 2.85Å
455	G	90.6	Very high	94.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-67.1	-52.1	169.9	0	0	0	0	0	110.9	H453 A457 L458 L459	H453-G455 PolarHBondContact ND1-N 3.24Å; H453-G455 PolarHBondContact O-N 2.92Å; G455-A457 VanDerWaalsContact C-N 3.3Å; G455-A457 PolarHBondContact O-N 2.8Å; G455-L458 WeakPolarHBondContact O-CB 3.36Å; G455-L458 PolarHBondContact O-N 2.89Å; G455-L459 WeakPolarHBondContact O-CD1 3.28Å; G455-L459 PolarHBondContact O-N 2.97Å
456	H	92.4	Very high	94	Very high	36 Å²	36	34.6 Å²	34.6	17%	0.167	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-43	173	-60.5	149	0	0	0	111.2	F446 I452 H453 L458 L459 M460	F446-H456 HydrophobicContact CE1-CB 4.16Å; F446-H456 HydrophobicContact CZ-CB 3.89Å; F446-H456 AromaticContact CZ-CD2 3.81Å; F446-H456 AromaticContact CZ-CG 3.9Å; I452-H456 HydrophobicContact CG2-CB 4.2Å; H453-H456 AromaticContact CD2-CE1 3.55Å; H453-H456 AromaticContact CD2-ND1 3.64Å; H453-H456 AromaticContact NE2-CD2 3.9Å; H453-H456 AromaticContact NE2-CE1 3.25Å; H453-H456 PolarHBondContact NE2-CE1 2.84Å; H453-H456 VanDerWaalsContact NE2-CE1 3.25Å; H453-H456 AromaticContact NE2-ND1 3.64Å; H453-H456 AromaticContact NE2-NE2 3.44Å; H453-H456 PolarHBondContact NE2-NE2 2.72Å; H453-H456 PolarHBondContact O-N 2.78Å; H456-L458 PolarHBondContact O-N 3Å; H456-L459 WeakPolarHBondContact O-CB 3.27Å; H456-L459 PolarHBondContact O-N 3.3Å; H456-M460 HydrophobicContact CB-CE 3.98Å; H456-M460 WeakPolarHBondContact O-CE 3.48Å; H456-M460 PolarHBondContact O-N 3.43Å
457	A	94	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-37.3	177.4	0	0	0	0	0	113.3	H453 G455 L459 M460 R461 V507 L508	H453-A457 PolarHBondContact O-N 2.89Å; G455-A457 VanDerWaalsContact C-N 3.3Å; G455-A457 PolarHBondContact O-N 2.8Å; A457-L459 VanDerWaalsContact C-N 3.32Å; A457-L459 PolarHBondContact O-N 3.3Å; A457-M460 PolarHBondContact O-N 2.83Å; A457-R461 WeakPolarHBondContact O-CB 3.42Å; A457-R461 VanDerWaalsContact O-CG 3.31Å; A457-R461 WeakPolarHBondContact O-CG 3.21Å; A457-R461 PolarHBondContact O-N 3.42Å; A457-R461 PolarHBondContact O-NE 3.28Å; A457-V507 HydrophobicContact CB-CG1 3.45Å; A457-V507 VanDerWaalsContact CB-CG1 3.45Å; A457-L508 HydrophobicContact CB-CD2 4.17Å
458	L	92.2	Very high	93.5	Very high	31 Å²	31	37.6 Å²	37.6	16%	0.162	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-45	173.5	177.3	64.3	0	0	0	111.2	N454 G455 H456 R461 D462 A590 F601	N454-L458 VanDerWaalsContact O-CB 3.32Å; N454-L458 WeakPolarHBondContact O-CB 3.3Å; N454-L458 PolarHBondContact O-N 3.43Å; G455-L458 WeakPolarHBondContact O-CB 3.36Å; G455-L458 PolarHBondContact O-N 2.89Å; H456-L458 PolarHBondContact O-N 3Å; L458-R461 PolarHBondContact O-N 2.83Å; L458-D462 VanDerWaalsContact O-CB 3.28Å; L458-D462 WeakPolarHBondContact O-CB 3.38Å; L458-D462 PolarHBondContact O-N 3.47Å; L458-A590 HydrophobicContact CD2-CB 4.33Å; L458-F601 HydrophobicContact CD1-CE2 4.45Å; L458-F601 HydrophobicContact CD2-CD1 4.18Å; L458-F601 HydrophobicContact CD2-CD2 4.37Å; L458-F601 HydrophobicContact CD2-CE1 4.09Å; L458-F601 HydrophobicContact CD2-CE2 4.3Å; L458-F601 HydrophobicContact CD2-CG 4.32Å; L458-F601 HydrophobicContact CD2-CZ 4.16Å; L458-F601 HydrophobicContact CG-CE1 4.2Å; L458-F601 HydrophobicContact CG-CE2 4.26Å; L458-F601 HydrophobicContact CG-CZ 3.94Å
459	L	89.9	Confident	93.3	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-44	179.1	-73.9	144.1	0	0	0	112.8	G455 H456 A457 R461 T463 F587 F601	G455-L459 WeakPolarHBondContact O-CD1 3.28Å; G455-L459 PolarHBondContact O-N 2.97Å; H456-L459 WeakPolarHBondContact O-CB 3.27Å; H456-L459 PolarHBondContact O-N 3.3Å; A457-L459 VanDerWaalsContact C-N 3.32Å; A457-L459 PolarHBondContact O-N 3.3Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-T463 WeakPolarHBondContact O-CB 3.46Å; L459-T463 PolarHBondContact O-N 2.85Å; L459-T463 PolarHBondContact O-OG1 3.36Å; L459-F587 HydrophobicContact CD1-CD1 3.31Å; L459-F587 HydrophobicContact CD1-CD2 4.45Å; L459-F587 HydrophobicContact CD1-CE1 3.12Å; L459-F587 HydrophobicContact CD1-CE2 4.33Å; L459-F587 HydrophobicContact CD1-CG 4.03Å; L459-F587 HydrophobicContact CD1-CZ 3.71Å; L459-F587 HydrophobicContact CD2-CB 4.15Å; L459-F587 HydrophobicContact CD2-CD1 3.74Å; L459-F587 HydrophobicContact CD2-CD2 4.03Å; L459-F587 HydrophobicContact CD2-CE1 4.29Å; L459-F587 HydrophobicContact CD2-CG 3.63Å; L459-F587 HydrophobicContact CG-CD1 4.17Å; L459-F587 HydrophobicContact CG-CE1 4.29Å; L459-F587 HydrophobicContact CG-CG 4.48Å; L459-F601 HydrophobicContact CD2-CE1 4.18Å; L459-F601 HydrophobicContact CG-CE1 4.39Å
460	M	95.5	Very high	92.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-40.2	177.8	-71.9	-177.8	-85.7	0	0	111.5	F446 I452 H456 A457 R464 L476 L478 L508 I546	F446-M460 HydrophobicContact CB-CG 4.14Å; F446-M460 HydrophobicContact CB-SD 3.8Å; F446-M460 HydrophobicContact CD1-CE 4.15Å; F446-M460 HydrophobicContact CD1-SD 3.86Å; F446-M460 HydrophobicContact CD2-CG 3.86Å; F446-M460 HydrophobicContact CD2-SD 4.23Å; F446-M460 HydrophobicContact CE1-CE 4.28Å; F446-M460 HydrophobicContact CE2-CG 4.42Å; F446-M460 HydrophobicContact CG-CE 4.46Å; F446-M460 HydrophobicContact CG-CG 3.94Å; F446-M460 HydrophobicContact CG-SD 3.7Å; I452-M460 HydrophobicContact CG2-CE 4.28Å; H456-M460 HydrophobicContact CB-CE 3.98Å; H456-M460 WeakPolarHBondContact O-CE 3.48Å; H456-M460 PolarHBondContact O-N 3.43Å; A457-M460 PolarHBondContact O-N 2.83Å; M460-R464 PolarHBondContact O-N 3.4Å; M460-R464 VanDerWaalsContact O-N 3.08Å; M460-L476 HydrophobicContact CB-CD2 4.19Å; M460-L476 HydrophobicContact CG-CD1 4.2Å; M460-L476 HydrophobicContact CG-CD2 4.23Å; M460-L476 HydrophobicContact SD-CD1 3.94Å; M460-L476 HydrophobicContact SD-CD2 3.52Å; M460-L476 VanDerWaalsContact SD-CD2 3.52Å; M460-L476 HydrophobicContact SD-CG 4.39Å; M460-L478 HydrophobicContact CE-CD1 4.35Å; M460-L478 HydrophobicContact SD-CD1 3.94Å; M460-L508 HydrophobicContact CB-CD2 3.96Å; M460-L508 HydrophobicContact CE-CD1 3.72Å; M460-L508 HydrophobicContact CE-CD2 4.12Å; M460-L508 HydrophobicContact CE-CG 4.45Å; M460-L508 HydrophobicContact SD-CD1 4.01Å; M460-L508 HydrophobicContact SD-CD2 4.28Å; M460-I546 HydrophobicContact CG-CD1 4.27Å
461	R	95.2	Very high	92.4	Very high	111 Å²	111	46.2 Å²	46.2	42%	0.419	23%	0.229	S	C	.	.	H	α-helix	trans	-69.5	-45	176.2	-70.6	-176.6	-61.4	177.1	2.4	112.9	A457 L458 L459 T463 R464 E465 W512	A457-R461 WeakPolarHBondContact O-CB 3.42Å; A457-R461 VanDerWaalsContact O-CG 3.31Å; A457-R461 WeakPolarHBondContact O-CG 3.21Å; A457-R461 PolarHBondContact O-N 3.42Å; A457-R461 PolarHBondContact O-NE 3.28Å; L458-R461 PolarHBondContact O-N 2.83Å; L459-R461 VanDerWaalsContact C-N 3.34Å; R461-T463 VanDerWaalsContact C-N 3.28Å; R461-T463 PolarHBondContact O-N 3.1Å; R461-R464 WeakPolarHBondContact O-CB 3.32Å; R461-R464 PolarHBondContact O-N 3.18Å; R461-E465 PolarHBondContact O-N 3.31Å; R461-W512 HydrophobicContact CG-CH2 4.01Å; R461-W512 HydrophobicContact CG-CZ2 4.22Å
462	D	92.8	Very high	92.2	Very high	24 Å²	24	54.8 Å²	54.8	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-37.5	175.6	173.7	88.1	0	0	0	111.6	L458 E465 K466 F601	L458-D462 VanDerWaalsContact O-CB 3.28Å; L458-D462 WeakPolarHBondContact O-CB 3.38Å; L458-D462 PolarHBondContact O-N 3.47Å; D462-E465 PolarHBondContact O-N 3.07Å; D462-K466 WeakPolarHBondContact O-CG 3.45Å; D462-K466 PolarHBondContact O-N 3.01Å; D462-K466 IonicContact OD1-NZ 2.93Å; D462-K466 VanDerWaalsContact OD2-CE 3.28Å; D462-K466 WeakPolarHBondContact OD2-CE 3.2Å; D462-K466 IonicContact OD2-NZ 2.76Å; D462-K466 PolarHBondContact OD2-NZ 3.34Å; D462-F601 HydrophobicContact CB-CE2 4.12Å; D462-F601 HydrophobicContact CB-CZ 3.68Å; D462-F601 WeakPolarHBondContact OD1-CE2 3.41Å
463	T	93.7	Very high	92.1	Very high	9 Å²	9	57 Å²	57	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-48.9	173.3	-63	0	0	0	0	111.3	F444 L459 R461 E465 K466 L467 I546 L585	F444-T463 HydrophobicContact CB-CG2 4.21Å; F444-T463 HydrophobicContact CD2-CG2 3.58Å; F444-T463 HydrophobicContact CE2-CG2 3.99Å; F444-T463 HydrophobicContact CG-CG2 3.89Å; L459-T463 WeakPolarHBondContact O-CB 3.46Å; L459-T463 PolarHBondContact O-N 2.85Å; L459-T463 PolarHBondContact O-OG1 3.36Å; R461-T463 VanDerWaalsContact C-N 3.28Å; R461-T463 PolarHBondContact O-N 3.1Å; T463-E465 VanDerWaalsContact C-N 3.33Å; T463-E465 PolarHBondContact O-N 2.85Å; T463-K466 PolarHBondContact O-N 3.11Å; T463-L467 HydrophobicContact CG2-CD1 4.01Å; T463-L467 HydrophobicContact CG2-CG 4.5Å; T463-L467 WeakPolarHBondContact O-CG 3.5Å; T463-L467 PolarHBondContact O-N 2.96Å; T463-I546 HydrophobicContact CG2-CD1 3.96Å; T463-I546 HydrophobicContact CG2-CG1 4.16Å; T463-I546 WeakPolarHBondContact OG1-CD1 3.08Å; T463-L585 HydrophobicContact CG2-CD1 3.38Å
464	R	95.3	Very high	92.2	Very high	34 Å²	34	55.2 Å²	55.2	13%	0.128	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-48.1	175.2	177.7	178.6	-173.8	71.2	2.3	111.6	F444 M460 R461 K466 L467 L468 P474 W512	F444-R464 HydrophobicContact CE1-CB 4.2Å; F444-R464 HydrophobicContact CZ-CB 3.82Å; M460-R464 PolarHBondContact O-N 3.4Å; M460-R464 VanDerWaalsContact O-N 3.08Å; R461-R464 WeakPolarHBondContact O-CB 3.32Å; R461-R464 PolarHBondContact O-N 3.18Å; R464-K466 VanDerWaalsContact C-N 3.28Å; R464-K466 PolarHBondContact O-N 3.02Å; R464-L467 PolarHBondContact O-N 2.84Å; R464-L467 VanDerWaalsContact O-N 3.12Å; R464-L468 HydrophobicContact CG-CD1 4.02Å; R464-L468 HydrophobicContact CG-CG 4.29Å; R464-L468 WeakPolarHBondContact O-CG 3.25Å; R464-L468 PolarHBondContact O-N 3.21Å; R464-P474 PolarHBondContact NH1-O 2.75Å; R464-W512 VanDerWaalsContact CD-CD2 3.46Å; R464-W512 VanDerWaalsContact CD-CE2 3.44Å; R464-W512 VanDerWaalsContact CZ-CB 3.41Å; R464-W512 VanDerWaalsContact CZ-CD1 3.48Å; R464-W512 VanDerWaalsContact NE-CD1 3.34Å
465	E	94.6	Very high	92.4	Very high	140 Å²	140	54.2 Å²	54.2	65%	0.654	26%	0.264	S	S	*	.	H	α-helix	trans	-57.9	-41.3	-178.4	-174.1	175	-173.6	0	0	111.7	R461 D462 T463 L468	R461-E465 PolarHBondContact O-N 3.31Å; D462-E465 PolarHBondContact O-N 3.07Å; T463-E465 VanDerWaalsContact C-N 3.33Å; T463-E465 PolarHBondContact O-N 2.85Å; E465-L468 PolarHBondContact O-N 2.95Å
466	K	91.8	Very high	92.8	Very high	114 Å²	114	54.2 Å²	54.2	50%	0.496	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-44.2	173.9	-72	166.3	178.1	164.8	0	112.5	D462 T463 R464 L468 A469	D462-K466 WeakPolarHBondContact O-CG 3.45Å; D462-K466 PolarHBondContact O-N 3.01Å; D462-K466 IonicContact OD1-NZ 2.93Å; D462-K466 VanDerWaalsContact OD2-CE 3.28Å; D462-K466 WeakPolarHBondContact OD2-CE 3.2Å; D462-K466 IonicContact OD2-NZ 2.76Å; D462-K466 PolarHBondContact OD2-NZ 3.34Å; T463-K466 PolarHBondContact O-N 3.11Å; R464-K466 VanDerWaalsContact C-N 3.28Å; R464-K466 PolarHBondContact O-N 3.02Å; K466-L468 VanDerWaalsContact C-N 3.26Å; K466-L468 PolarHBondContact O-N 3.28Å; K466-A469 VanDerWaalsContact O-CB 3.29Å; K466-A469 WeakPolarHBondContact O-CB 3.35Å; K466-A469 PolarHBondContact O-N 3.22Å; K466-A469 VanDerWaalsContact O-N 3.16Å
467	L	89.9	Confident	93.1	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.068	26%	0.255	C	S	.	.	H	α-helix	trans	-66.6	-29.5	179.6	-68.2	174.5	0	0	0	112.2	F444 T463 R464 A469 E470 H471 P474 H544	F444-L467 HydrophobicContact CB-CD1 3.89Å; F444-L467 HydrophobicContact CD1-CD1 3.53Å; F444-L467 HydrophobicContact CE1-CD1 4.27Å; F444-L467 HydrophobicContact CG-CD1 3.88Å; T463-L467 HydrophobicContact CG2-CD1 4.01Å; T463-L467 HydrophobicContact CG2-CG 4.5Å; T463-L467 WeakPolarHBondContact O-CG 3.5Å; T463-L467 PolarHBondContact O-N 2.96Å; R464-L467 PolarHBondContact O-N 2.84Å; R464-L467 VanDerWaalsContact O-N 3.12Å; L467-A469 PolarHBondContact O-N 3.06Å; L467-A469 VanDerWaalsContact O-N 3.12Å; L467-E470 PolarHBondContact O-N 3.49Å; L467-H471 WeakPolarHBondContact O-CB 3.32Å; L467-H471 PolarHBondContact O-N 3.46Å; L467-P474 HydrophobicContact CB-CB 3.98Å; L467-P474 HydrophobicContact CB-CG 3.64Å; L467-P474 HydrophobicContact CD1-CB 4.26Å; L467-H544 VanDerWaalsContact CD2-CE1 3.47Å; L467-H544 WeakPolarHBondContact CD2-CE1 3.49Å
468	L	94.9	Very high	93.3	Very high	83 Å²	83	52.5 Å²	52.5	44%	0.435	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.5	174.4	-75.9	168.9	0	0	0	113.9	R464 E465 K466 E470 H471 P474	R464-L468 HydrophobicContact CG-CD1 4.02Å; R464-L468 HydrophobicContact CG-CG 4.29Å; R464-L468 WeakPolarHBondContact O-CG 3.25Å; R464-L468 PolarHBondContact O-N 3.21Å; E465-L468 PolarHBondContact O-N 2.95Å; K466-L468 VanDerWaalsContact C-N 3.26Å; K466-L468 PolarHBondContact O-N 3.28Å; L468-E470 VanDerWaalsContact C-N 3.33Å; L468-H471 CarbonylContact C-O 3.51Å; L468-H471 WeakPolarHBondContact CA-O 3.5Å; L468-P474 HydrophobicContact CD2-CG 4.08Å; L468-P474 HydrophobicContact CG-CG 4.16Å
469	A	91.8	Very high	93.6	Very high	86 Å²	86	51 Å²	51	71%	0.711	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.5	172.4	0	0	0	0	0	113.1	K466 L467	K466-A469 VanDerWaalsContact O-CB 3.29Å; K466-A469 WeakPolarHBondContact O-CB 3.35Å; K466-A469 PolarHBondContact O-N 3.22Å; K466-A469 VanDerWaalsContact O-N 3.16Å; L467-A469 PolarHBondContact O-N 3.06Å; L467-A469 VanDerWaalsContact O-N 3.12Å
470	E	84.7	Confident	94	Very high	168 Å²	168	50.7 Å²	50.7	79%	0.785	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-21.1	-174.2	-64.5	178.9	-156	0	0	112.8	L467 L468	L467-E470 PolarHBondContact O-N 3.49Å; L468-E470 VanDerWaalsContact C-N 3.33Å
471	H	86.1	Confident	94.2	Very high	45 Å²	45	50.7 Å²	50.7	21%	0.208	25%	0.246	C	C	.	.			trans	-129.6	146.2	-174.4	-59.5	-85.5	0	0	0	110.7	D441 A442 L467 L468 P474 H544	D441-H471 PolarHBondContact O-ND1 3.42Å; A442-H471 HydrophobicContact CB-CB 4.02Å; L467-H471 WeakPolarHBondContact O-CB 3.32Å; L467-H471 PolarHBondContact O-N 3.46Å; L468-H471 CarbonylContact C-O 3.51Å; L468-H471 WeakPolarHBondContact CA-O 3.5Å; H471-P474 HydrophobicContact CB-CG 4.03Å; H471-H544 AromaticContact NE2-NE2 3.88Å
472	K	90	Very high	94.3	Very high	189 Å²	189	45.9 Å²	45.9	82%	0.822	23%	0.231	S	C	*	.	S	Bend	trans	-83.6	-35	-178.8	-65.4	177.9	178.4	177	0	112.6	D441	D441-K472 PolarHBondContact OD1-N 3.27Å; D441-K472 WeakPolarHBondContact OD2-CA 3.38Å; D441-K472 WeakPolarHBondContact OD2-CB 3.49Å; D441-K472 PolarHBondContact OD2-N 2.95Å
473	N	92.2	Very high	94.5	Very high	46 Å²	46	45 Å²	45	25%	0.246	23%	0.228	C	C	.	.	S	Bend	trans	-141.3	68.7	-175.2	-170.5	32.9	0	0	0	112.4	K438 N439 A440 D441	K438-N473 PolarHBondContact O-ND2 3.37Å; N439-N473 PolarHBondContact O-ND2 3.06Å; A440-N473 WeakPolarHBondContact CA-O 3.47Å; D441-N473 PolarHBondContact N-O 2.83Å; D441-N473 VanDerWaalsContact OD1-CA 3.28Å; D441-N473 WeakPolarHBondContact OD1-CA 3.46Å; D441-N473 PolarHBondContact OD1-N 3.03Å; D441-N473 VanDerWaalsContact OD1-O 3.14Å; D441-N473 PolarHBondContact OD2-N 3.09Å
474	P	95.6	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	148.6	168.9	-19.9	31.1	0	0	0	110.4	A442 F444 R464 L467 L468 H471	A442-P474 HydrophobicContact CB-CB 4.46Å; A442-P474 CarbonylContact O-C 3.55Å; A442-P474 VanDerWaalsContact O-CA 3.25Å; A442-P474 WeakPolarHBondContact O-CA 3.33Å; F444-P474 HydrophobicContact CD1-CB 4.2Å; F444-P474 HydrophobicContact CE1-CB 3.95Å; R464-P474 PolarHBondContact NH1-O 2.75Å; L467-P474 HydrophobicContact CB-CB 3.98Å; L467-P474 HydrophobicContact CB-CG 3.64Å; L467-P474 HydrophobicContact CD1-CB 4.26Å; L468-P474 HydrophobicContact CD2-CG 4.08Å; L468-P474 HydrophobicContact CG-CG 4.16Å; H471-P474 HydrophobicContact CB-CG 4.03Å
475	I	97.7	Very high	94.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.2	172.5	-64.2	-64.7	0	0	0	109.4	F435 K438 A440 A442 V443 F444 W512 V514	F435-I475 HydrophobicContact CD1-CG2 4.03Å; F435-I475 HydrophobicContact CE1-CG2 4.12Å; K438-I475 HydrophobicContact CB-CD1 4.43Å; K438-I475 HydrophobicContact CB-CG1 4.47Å; K438-I475 HydrophobicContact CD-CD1 4.34Å; K438-I475 HydrophobicContact CD-CG2 4.48Å; A440-I475 HydrophobicContact CB-CB 4.09Å; A440-I475 HydrophobicContact CB-CG1 3.52Å; A442-I475 PolarHBondContact O-N 3.27Å; V443-I475 WeakPolarHBondContact CA-O 3.25Å; V443-I475 WeakPolarHBondContact CG1-O 3.49Å; F444-I475 VanDerWaalsContact CD1-O 3.22Å; F444-I475 WeakPolarHBondContact CD1-O 3.3Å; F444-I475 PolarHBondContact N-O 3.3Å; I475-W512 HydrophobicContact CD1-CB 4.05Å; I475-V514 HydrophobicContact CG2-CG2 3.84Å
476	L	98.4	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.3	172.3	169.8	61.6	0	0	0	109.2	F444 F446 M460 L478 L508 W512 T513 V514	F444-L476 HydrophobicContact CD2-CB 4.44Å; F444-L476 HydrophobicContact CD2-CD1 3.84Å; F444-L476 HydrophobicContact CE1-CB 4.14Å; F444-L476 HydrophobicContact CE2-CB 3.75Å; F444-L476 HydrophobicContact CE2-CD1 3.58Å; F444-L476 HydrophobicContact CE2-CG 4.16Å; F444-L476 HydrophobicContact CZ-CB 3.55Å; F444-L476 HydrophobicContact CZ-CD1 4.31Å; F444-L476 HydrophobicContact CZ-CG 4.44Å; F444-L476 WeakPolarHBondContact O-CA 3.33Å; F446-L476 HydrophobicContact CB-CD1 3.97Å; M460-L476 HydrophobicContact CB-CD2 4.19Å; M460-L476 HydrophobicContact CG-CD1 4.2Å; M460-L476 HydrophobicContact CG-CD2 4.23Å; M460-L476 HydrophobicContact SD-CD1 3.94Å; M460-L476 HydrophobicContact SD-CD2 3.52Å; M460-L476 VanDerWaalsContact SD-CD2 3.52Å; M460-L476 HydrophobicContact SD-CG 4.39Å; L476-L478 HydrophobicContact CD2-CB 4.25Å; L476-L478 HydrophobicContact CG-CB 4.24Å; L476-L508 HydrophobicContact CD2-CD1 4.13Å; L476-L508 HydrophobicContact CD2-CD2 4.26Å; L476-W512 HydrophobicContact CB-CE3 3.75Å; L476-W512 HydrophobicContact CB-CZ3 3.78Å; L476-W512 HydrophobicContact CD2-CE3 4.47Å; L476-W512 HydrophobicContact CD2-CZ3 3.76Å; L476-W512 HydrophobicContact CG-CZ3 4.42Å; L476-W512 PolarHBondContact N-O 2.81Å; L476-T513 HydrophobicContact CD2-CG2 3.92Å; L476-T513 HydrophobicContact CG-CG2 4.29Å; L476-V514 PolarHBondContact O-N 3Å
477	L	98.6	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	98.2	158.4	178.1	55.3	0	0	0	108.9	L431 F435 V443 F444 A445 F446 H479 V514 I542	L431-L477 HydrophobicContact CD1-CD1 4.47Å; L431-L477 HydrophobicContact CD1-CD2 4.18Å; L431-L477 HydrophobicContact CD2-CD1 3.92Å; F435-L477 HydrophobicContact CE1-CB 4.45Å; F435-L477 HydrophobicContact CZ-CB 4.01Å; F435-L477 HydrophobicContact CZ-CD1 4.11Å; F435-L477 HydrophobicContact CZ-CD2 3.99Å; F435-L477 HydrophobicContact CZ-CG 4.22Å; V443-L477 HydrophobicContact CG1-CB 4.27Å; F444-L477 PolarHBondContact O-N 3.04Å; A445-L477 HydrophobicContact CB-CB 4.41Å; F446-L477 PolarHBondContact N-O 3.13Å; L477-H479 HydrophobicContact CD1-CB 4.38Å; L477-H479 WeakPolarHBondContact CD2-ND1 3.38Å; L477-H479 HydrophobicContact CG-CB 3.98Å; L477-H479 PolarHBondContact O-N 3.25Å; L477-V514 HydrophobicContact CD1-CB 4.46Å; L477-V514 HydrophobicContact CD1-CG1 4.19Å; L477-I542 HydrophobicContact CB-CD1 4.18Å; L477-I542 HydrophobicContact CD2-CD1 3.72Å; L477-I542 HydrophobicContact CD2-CG1 4.08Å
478	L	98.6	Very high	94.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.6	171.6	178.9	63.2	0	0	0	108	F446 L448 I452 M460 L476 P480 H499 I503 L508 T513 V514 L515 S516	F446-L478 HydrophobicContact CD1-CD1 4.18Å; L448-L478 HydrophobicContact CD1-CD1 4.03Å; L448-L478 HydrophobicContact CD2-CD1 3.68Å; L448-L478 HydrophobicContact CD2-CG 4.41Å; I452-L478 HydrophobicContact CD1-CD1 3.74Å; I452-L478 HydrophobicContact CD1-CD2 3.64Å; I452-L478 HydrophobicContact CD1-CG 4.26Å; M460-L478 HydrophobicContact CE-CD1 4.35Å; M460-L478 HydrophobicContact SD-CD1 3.94Å; L476-L478 HydrophobicContact CD2-CB 4.25Å; L476-L478 HydrophobicContact CG-CB 4.24Å; L478-P480 VanDerWaalsContact O-CD 3.28Å; L478-P480 WeakPolarHBondContact O-CD 3.1Å; L478-H499 HydrophobicContact CD2-CB 4.35Å; L478-I503 HydrophobicContact CD2-CD1 4.28Å; L478-L508 HydrophobicContact CD2-CD1 4.04Å; L478-T513 HydrophobicContact CB-CG2 3.98Å; L478-T513 HydrophobicContact CD2-CG2 4.44Å; L478-V514 PolarHBondContact N-O 3.29Å; L478-L515 HydrophobicContact CD2-CD1 3.98Å; L478-L515 HydrophobicContact CG-CD1 4.07Å; L478-L515 WeakPolarHBondContact O-CA 3.33Å; L478-S516 PolarHBondContact O-N 3.14Å; L478-S516 VanDerWaalsContact O-N 3.14Å
479	H	98.6	Very high	94.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	69	-158.5	-146.3	166.1	0	0	0	113.2	W281 F446 Q447 L477 L481 S516 F518 R537	W281-H479 AromaticContact CH2-CE1 3.58Å; F446-H479 PolarHBondContact O-N 2.75Å; Q447-H479 PolarHBondContact OE1-O 3.24Å; L477-H479 HydrophobicContact CD1-CB 4.38Å; L477-H479 WeakPolarHBondContact CD2-ND1 3.38Å; L477-H479 HydrophobicContact CG-CB 3.98Å; L477-H479 PolarHBondContact O-N 3.25Å; H479-L481 PolarHBondContact O-N 3.2Å; H479-S516 WeakPolarHBondContact CA-O 3.43Å; H479-S516 PolarHBondContact CD2-O 3.49Å; H479-F518 PolarHBondContact CD2-N 3.39Å; H479-F518 PolarHBondContact NE2-N 3.16Å; H479-R537 VanDerWaalsContact CG-NH2 3.25Å; H479-R537 PolarHBondContact ND1-NE 3Å; H479-R537 PolarHBondContact ND1-NH2 3.42Å; H479-R537 PolarHBondContact O-NH2 3.15Å
480	P	98.6	Very high	95	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	134.3	175.4	24.1	-37.6	0	0	0	112	L448 L478 I496 L515 S516 I517 F518	L448-P480 HydrophobicContact CD2-CB 4.19Å; L448-P480 VanDerWaalsContact CD2-N 3.31Å; L448-P480 HydrophobicContact CG-CB 4.33Å; L448-P480 CarbonylContact O-C 3.56Å; L448-P480 VanDerWaalsContact O-CA 3.29Å; L448-P480 WeakPolarHBondContact O-CA 3.15Å; L478-P480 VanDerWaalsContact O-CD 3.28Å; L478-P480 WeakPolarHBondContact O-CD 3.1Å; P480-I496 HydrophobicContact CB-CD1 4.46Å; P480-I496 HydrophobicContact CG-CD1 3.65Å; P480-L515 HydrophobicContact CG-CD1 3.88Å; P480-S516 WeakPolarHBondContact CD-O 3.43Å; P480-S516 WeakPolarHBondContact CG-O 3.38Å; P480-I517 HydrophobicContact CG-CG1 4.47Å; P480-I517 WeakPolarHBondContact O-CA 3.46Å; P480-F518 PolarHBondContact O-N 3.41Å
481	L	98.6	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-70.4	133.9	169	-175.5	150.4	0	0	0	109.9	L448 H479 T485 R495 F518 S520 M522	L448-L481 PolarHBondContact O-N 2.86Å; H479-L481 PolarHBondContact O-N 3.2Å; L481-T485 HydrophobicContact CD2-CG2 3.83Å; L481-R495 PolarHBondContact O-NH1 3.03Å; L481-R495 PolarHBondContact O-NH2 3.04Å; L481-F518 HydrophobicContact CD1-CD1 4.21Å; L481-F518 HydrophobicContact CD1-CE1 4.5Å; L481-F518 HydrophobicContact CG-CD1 4.37Å; L481-S520 WeakPolarHBondContact CD1-O 3.5Å; L481-S520 VanDerWaalsContact CD2-O 3.24Å; L481-S520 WeakPolarHBondContact CD2-O 3.48Å; L481-S520 WeakPolarHBondContact CG-O 3.44Å; L481-M522 HydrophobicContact CD1-CB 3.98Å; L481-M522 HydrophobicContact CD1-CG 4.5Å; L481-M522 HydrophobicContact CD1-SD 3.74Å; L481-M522 HydrophobicContact CD2-CB 3.79Å
482	G	98	Very high	96.1	Very high	10 Å²	10	32.8 Å²	32.8	10%	0.103	17%	0.169	C	C	.	.			trans	-129.7	5.8	-176.5	0	0	0	0	0	116.1	L492 F518	G482-L492 VanDerWaalsContact CA-CD2 3.49Å; G482-F518 PolarHBondContact N-O 2.76Å
483	G	98	Very high	96.5	Very high	7 Å²	7	26.7 Å²	26.7	7%	0.072	15%	0.145	C	C	.	.	S	Bend	trans	-70.8	-166.2	161.6	0	0	0	0	0	111.9	T485 P519 S520	G483-T485 PolarHBondContact O-N 3.07Å; G483-P519 WeakPolarHBondContact CA-O 3.31Å; G483-P519 PolarHBondContact N-O 2.86Å; G483-S520 WeakPolarHBondContact CA-O 3.47Å; G483-S520 PolarHBondContact N-O 2.87Å
484	W	98.6	Very high	96.8	Very high	51 Å²	51	25.7 Å²	25.7	19%	0.193	14%	0.139	C	C	.	.			trans	-55.2	139.5	176.9	177.3	89.6	0	0	0	112.3	V269 P392 A393 K486 P521 M522 Y524	V269-W484 HydrophobicContact CG2-CB 3.93Å; V269-W484 HydrophobicContact CG2-CG 4.13Å; P392-W484 HydrophobicContact CB-CH2 3.84Å; P392-W484 HydrophobicContact CB-CZ2 4.29Å; P392-W484 HydrophobicContact CG-CH2 4.11Å; A393-W484 HydrophobicContact CB-CZ3 4.21Å; W484-K486 HydrophobicContact CH2-CB 4.17Å; W484-K486 HydrophobicContact CZ2-CB 4.38Å; W484-P521 HydrophobicContact CB-CB 4.28Å; W484-M522 VanDerWaalsContact CE3-O 3.23Å; W484-M522 WeakPolarHBondContact CZ3-O 3.25Å; W484-M522 WeakPolarHBondContact O-CB 3.34Å; W484-M522 PolarHBondContact O-N 3.36Å; W484-Y524 HydrophobicContact CH2-CE2 4.19Å; W484-Y524 HydrophobicContact CZ3-CD2 4.23Å; W484-Y524 AromaticContact CZ3-CE2 3.78Å; W484-Y524 HydrophobicContact CZ3-CE2 3.78Å
485	T	98.1	Very high	96.9	Very high	27 Å²	27	25.7 Å²	25.7	17%	0.166	14%	0.139	C	C	.	.			trans	-135.8	154.9	172.2	53.6	0	0	0	0	108.6	L481 G483 M522 Y524	L481-T485 HydrophobicContact CD2-CG2 3.83Å; G483-T485 PolarHBondContact O-N 3.07Å; T485-M522 HydrophobicContact CG2-CB 4.15Å; T485-Y524 WeakPolarHBondContact CA-OH 3.4Å; T485-Y524 WeakPolarHBondContact CB-OH 3.38Å
486	K	95	Very high	96.9	Very high	28 Å²	28	25.6 Å²	25.6	12%	0.122	14%	0.139	C	C	.	.			trans	-64	155.9	177.6	71	-171.5	180	109.1	0	112.4	P392 W484 D488 D489 Y524 I554	P392-K486 HydrophobicContact CB-CB 4.3Å; P392-K486 HydrophobicContact CG-CB 3.81Å; P392-K486 HydrophobicContact CG-CD 4.28Å; W484-K486 HydrophobicContact CH2-CB 4.17Å; W484-K486 HydrophobicContact CZ2-CB 4.38Å; K486-D488 VanDerWaalsContact C-N 3.29Å; K486-D488 WeakPolarHBondContact CD-OD1 3.39Å; K486-D488 VanDerWaalsContact CE-OD1 3.3Å; K486-D488 WeakPolarHBondContact CE-OD1 3.32Å; K486-D488 VanDerWaalsContact CG-OD1 3.23Å; K486-D488 WeakPolarHBondContact CG-OD1 3.47Å; K486-D488 IonicContact NZ-OD1 3.95Å; K486-D488 PolarHBondContact NZ-OD1 2.84Å; K486-D488 IonicContact NZ-OD2 2.99Å; K486-D488 PolarHBondContact NZ-OD2 2.82Å; K486-D488 PolarHBondContact O-N 3.44Å; K486-D488 VanDerWaalsContact O-N 3.16Å; K486-D489 VanDerWaalsContact CE-OD1 3.27Å; K486-D489 WeakPolarHBondContact CE-OD1 3.36Å; K486-D489 HydrophobicContact CG-CB 4.44Å; K486-D489 IonicContact NZ-OD1 3.6Å; K486-D489 WeakPolarHBondContact O-CB 3.31Å; K486-D489 PolarHBondContact O-N 3.44Å; K486-D489 VanDerWaalsContact O-N 3.08Å; K486-Y524 HydrophobicContact CB-CE2 3.99Å; K486-Y524 HydrophobicContact CD-CD1 4.29Å; K486-Y524 HydrophobicContact CD-CE1 3.73Å; K486-Y524 HydrophobicContact CD-CE2 4.16Å; K486-Y524 HydrophobicContact CG-CE1 4.1Å; K486-Y524 HydrophobicContact CG-CE2 4.11Å; K486-Y524 WeakPolarHBondContact CG-OH 3.45Å; K486-Y524 PolarHBondContact N-OH 3.14Å; K486-I554 HydrophobicContact CD-CD1 3.92Å
487	D	91.9	Very high	96.9	Very high	156 Å²	156	30.7 Å²	30.7	83%	0.834	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.3	-167.1	-59.2	-19.3	0	0	0	115.5
488	D	89.3	Confident	96.9	Very high	87 Å²	87	30.7 Å²	30.7	47%	0.465	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3	179.9	70.5	-55.1	0	0	0	114.2	K486	K486-D488 VanDerWaalsContact C-N 3.29Å; K486-D488 WeakPolarHBondContact CD-OD1 3.39Å; K486-D488 VanDerWaalsContact CE-OD1 3.3Å; K486-D488 WeakPolarHBondContact CE-OD1 3.32Å; K486-D488 VanDerWaalsContact CG-OD1 3.23Å; K486-D488 WeakPolarHBondContact CG-OD1 3.47Å; K486-D488 IonicContact NZ-OD1 3.95Å; K486-D488 PolarHBondContact NZ-OD1 2.84Å; K486-D488 IonicContact NZ-OD2 2.99Å; K486-D488 PolarHBondContact NZ-OD2 2.82Å; K486-D488 PolarHBondContact O-N 3.44Å; K486-D488 VanDerWaalsContact O-N 3.16Å
489	D	93.3	Very high	96.9	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.059	16%	0.161	C	C	.	.	S	Bend	trans	-75.2	153.9	170.2	-79.1	-2.6	0	0	0	110.6	R449 K486 Y524	R449-D489 WeakPolarHBondContact CD-OD2 3.46Å; R449-D489 IonicContact NE-OD2 3.5Å; R449-D489 PolarHBondContact NE-OD2 3.5Å; K486-D489 VanDerWaalsContact CE-OD1 3.27Å; K486-D489 WeakPolarHBondContact CE-OD1 3.36Å; K486-D489 HydrophobicContact CG-CB 4.44Å; K486-D489 IonicContact NZ-OD1 3.6Å; K486-D489 WeakPolarHBondContact O-CB 3.31Å; K486-D489 PolarHBondContact O-N 3.44Å; K486-D489 VanDerWaalsContact O-N 3.08Å; D489-Y524 PolarHBondContact OD2-OH 3.08Å
490	V	94.5	Very high	96.9	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.03	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-69.3	129.5	177.5	-179.1	0	0	0	0	109.3	P451 I494 R495 L641 Y644 Y645	P451-V490 HydrophobicContact CG-CB 4.19Å; P451-V490 HydrophobicContact CG-CG1 4.42Å; P451-V490 HydrophobicContact CG-CG2 3.83Å; V490-I494 HydrophobicContact CG1-CB 3.81Å; V490-I494 HydrophobicContact CG1-CG2 3.59Å; V490-R495 HydrophobicContact CB-CG 3.94Å; V490-R495 HydrophobicContact CG1-CG 3.85Å; V490-R495 WeakPolarHBondContact O-CD 3.35Å; V490-R495 PolarHBondContact O-NE 2.7Å; V490-L641 HydrophobicContact CG1-CD2 4.29Å; V490-Y644 HydrophobicContact CG1-CD1 4.25Å; V490-Y644 HydrophobicContact CG1-CE1 4.22Å; V490-Y644 HydrophobicContact CG2-CE1 4.4Å; V490-Y645 VanDerWaalsContact CG2-OH 3.24Å; V490-Y645 WeakPolarHBondContact CG2-OH 3.37Å
491	P	96.8	Very high	96.9	Very high	45 Å²	45	34.9 Å²	34.9	29%	0.292	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-53.8	149.8	179.2	-29	35.6	0	0	0	113.3	D493 I494 R495 Y644	P491-D493 WeakPolarHBondContact CB-OD1 3.37Å; P491-D493 PolarHBondContact O-N 3.19Å; P491-I494 HydrophobicContact CB-CG1 4.27Å; P491-I494 PolarHBondContact O-N 3.08Å; P491-R495 PolarHBondContact O-N 3Å; P491-Y644 WeakPolarHBondContact CD-OH 3.4Å; P491-Y644 HydrophobicContact CG-CE2 3.87Å
492	L	98.1	Very high	96.8	Very high	24 Å²	24	34.9 Å²	34.9	13%	0.126	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-44.8	-174.6	177	62.4	0	0	0	112.9	L421 G482 I494 R495 I496 I517	L421-L492 HydrophobicContact CD1-CD2 3.93Å; L421-L492 HydrophobicContact CD1-CG 3.84Å; G482-L492 VanDerWaalsContact CA-CD2 3.49Å; L492-I494 VanDerWaalsContact C-N 3.31Å; L492-I494 PolarHBondContact O-N 3.39Å; L492-R495 PolarHBondContact O-N 2.96Å; L492-I496 HydrophobicContact CD1-CD1 4.41Å; L492-I496 HydrophobicContact CD1-CG1 4.01Å; L492-I496 HydrophobicContact CG-CG1 4.36Å; L492-I496 WeakPolarHBondContact O-CG1 3.49Å; L492-I496 PolarHBondContact O-N 3.18Å; L492-I517 HydrophobicContact CD1-CD1 4.36Å; L492-I517 HydrophobicContact CD1-CG1 4.48Å; L492-I517 HydrophobicContact CD2-CD1 4.2Å; L492-I517 HydrophobicContact CD2-CG2 4.4Å; L492-I517 HydrophobicContact CG-CD1 4.48Å
493	D	97.9	Very high	96.8	Very high	62 Å²	62	35.6 Å²	35.6	33%	0.332	18%	0.184	S	C	.	.	H	α-helix	trans	-62.8	-38.5	-178.9	71.5	-52.4	0	0	0	112	L421 P491 K497	L421-D493 HydrophobicContact CD1-CB 4.1Å; P491-D493 WeakPolarHBondContact CB-OD1 3.37Å; P491-D493 PolarHBondContact O-N 3.19Å; D493-K497 VanDerWaalsContact O-CG 3.31Å; D493-K497 WeakPolarHBondContact O-CG 3.35Å; D493-K497 PolarHBondContact O-N 3.25Å; D493-K497 VanDerWaalsContact O-N 3.07Å; D493-K497 IonicContact OD2-NZ 3.86Å
494	I	97.9	Very high	96.8	Very high	24 Å²	24	39.1 Å²	39.1	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-42.8	174.1	-56.3	-55.6	0	0	0	110.7	V490 P491 L492 K497 Q498 V640 L641 Y644	V490-I494 HydrophobicContact CG1-CB 3.81Å; V490-I494 HydrophobicContact CG1-CG2 3.59Å; P491-I494 HydrophobicContact CB-CG1 4.27Å; P491-I494 PolarHBondContact O-N 3.08Å; L492-I494 VanDerWaalsContact C-N 3.31Å; L492-I494 PolarHBondContact O-N 3.39Å; I494-K497 PolarHBondContact O-N 3.4Å; I494-Q498 WeakPolarHBondContact O-CB 3.29Å; I494-Q498 PolarHBondContact O-N 3.39Å; I494-V640 HydrophobicContact CG2-CG1 4.1Å; I494-L641 HydrophobicContact CG2-CD2 4.41Å; I494-Y644 HydrophobicContact CD1-CD2 4.3Å; I494-Y644 HydrophobicContact CG1-CD2 3.83Å; I494-Y644 HydrophobicContact CG1-CE2 4.39Å; I494-Y644 HydrophobicContact CG1-CG 4.15Å; I494-Y644 HydrophobicContact CG2-CD1 4.38Å; I494-Y644 HydrophobicContact CG2-CG 3.97Å
495	R	98.1	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-44.1	175.9	-73.4	-173.7	-71	116.9	-11	111.9	R449 L481 V490 P491 L492 Q498 H499	R449-R495 WeakPolarHBondContact O-CD 3.4Å; R449-R495 PolarHBondContact O-NE 3.05Å; L481-R495 PolarHBondContact O-NH1 3.03Å; L481-R495 PolarHBondContact O-NH2 3.04Å; V490-R495 HydrophobicContact CB-CG 3.94Å; V490-R495 HydrophobicContact CG1-CG 3.85Å; V490-R495 WeakPolarHBondContact O-CD 3.35Å; V490-R495 PolarHBondContact O-NE 2.7Å; P491-R495 PolarHBondContact O-N 3Å; L492-R495 PolarHBondContact O-N 2.96Å; R495-Q498 CarbonylContact O-C 3.59Å; R495-Q498 WeakPolarHBondContact O-CB 3.28Å; R495-Q498 PolarHBondContact O-N 3.45Å; R495-H499 PolarHBondContact O-CD2 3Å; R495-H499 PolarHBondContact O-CE1 2.81Å; R495-H499 PolarHBondContact O-N 2.88Å; R495-H499 PolarHBondContact O-ND1 3.23Å; R495-H499 VanDerWaalsContact O-ND1 3.13Å
496	I	98.5	Very high	96.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-49.2	177.9	-67.5	-66.7	0	0	0	110.7	L421 Y424 P480 L492 Q498 H499 E500 L515 I517	L421-I496 HydrophobicContact CD1-CG1 4.49Å; L421-I496 HydrophobicContact CD2-CB 4.24Å; L421-I496 HydrophobicContact CD2-CG1 4.38Å; L421-I496 HydrophobicContact CD2-CG2 4.04Å; Y424-I496 HydrophobicContact CD2-CG2 4.15Å; Y424-I496 HydrophobicContact CE1-CG2 4.39Å; Y424-I496 HydrophobicContact CE2-CG2 3.73Å; P480-I496 HydrophobicContact CB-CD1 4.46Å; P480-I496 HydrophobicContact CG-CD1 3.65Å; L492-I496 HydrophobicContact CD1-CD1 4.41Å; L492-I496 HydrophobicContact CD1-CG1 4.01Å; L492-I496 HydrophobicContact CG-CG1 4.36Å; L492-I496 WeakPolarHBondContact O-CG1 3.49Å; L492-I496 PolarHBondContact O-N 3.18Å; I496-Q498 PolarHBondContact O-N 3.45Å; I496-H499 PolarHBondContact O-N 3.22Å; I496-E500 HydrophobicContact CG2-CG 4.44Å; I496-E500 WeakPolarHBondContact O-CG 3.25Å; I496-E500 PolarHBondContact O-N 3.44Å; I496-L515 HydrophobicContact CD1-CD1 4.36Å; I496-I517 HydrophobicContact CD1-CD1 3.9Å; I496-I517 HydrophobicContact CD1-CG1 3.72Å; I496-I517 HydrophobicContact CG1-CD1 4.06Å; I496-I517 HydrophobicContact CG1-CG1 4.4Å
497	K	98.4	Very high	96.7	Very high	106 Å²	106	47.4 Å²	47.4	46%	0.461	25%	0.245	S	C	.	.	H	α-helix	trans	-55.3	-41.1	174.2	-72	167.3	-176.1	162	0	112	D493 I494 E500 A501 V640	D493-K497 VanDerWaalsContact O-CG 3.31Å; D493-K497 WeakPolarHBondContact O-CG 3.35Å; D493-K497 PolarHBondContact O-N 3.25Å; D493-K497 VanDerWaalsContact O-N 3.07Å; D493-K497 IonicContact OD2-NZ 3.86Å; I494-K497 PolarHBondContact O-N 3.4Å; K497-E500 PolarHBondContact O-N 3.25Å; K497-A501 WeakPolarHBondContact O-CB 3.44Å; K497-A501 PolarHBondContact O-N 3.21Å; K497-V640 HydrophobicContact CB-CG1 3.95Å
498	Q	98.1	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-38.8	177.9	-169.2	-85.2	-22.2	0	0	112.3	P451 I452 I494 R495 I496 A501 V502 A637 V640 L641	P451-Q498 HydrophobicContact CB-CG 4.29Å; I452-Q498 PolarHBondContact O-NE2 3.11Å; I494-Q498 WeakPolarHBondContact O-CB 3.29Å; I494-Q498 PolarHBondContact O-N 3.39Å; R495-Q498 CarbonylContact O-C 3.59Å; R495-Q498 WeakPolarHBondContact O-CB 3.28Å; R495-Q498 PolarHBondContact O-N 3.45Å; I496-Q498 PolarHBondContact O-N 3.45Å; Q498-A501 WeakPolarHBondContact O-CB 3.44Å; Q498-A501 PolarHBondContact O-N 2.91Å; Q498-V502 WeakPolarHBondContact O-CG2 3.43Å; Q498-V502 PolarHBondContact O-N 2.9Å; Q498-V502 VanDerWaalsContact O-N 3.11Å; Q498-A637 HydrophobicContact CG-CB 4.07Å; Q498-A637 WeakPolarHBondContact CG-O 3.45Å; Q498-V640 HydrophobicContact CB-CB 4.43Å; Q498-V640 HydrophobicContact CB-CG1 4.01Å; Q498-L641 HydrophobicContact CB-CD2 4.48Å; Q498-L641 HydrophobicContact CG-CD1 4.25Å; Q498-L641 HydrophobicContact CG-CD2 4.08Å; Q498-L641 HydrophobicContact CG-CG 3.9Å
499	H	98.4	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.8	-38.6	177.5	-60.6	-8.8	0	0	0	111.7	L448 I452 L478 R495 I496 A501 V502 I503 L515	L448-H499 WeakPolarHBondContact CD1-NE2 3.44Å; I452-H499 HydrophobicContact CD1-CB 4.18Å; I452-H499 WeakPolarHBondContact CD1-ND1 3.47Å; L478-H499 HydrophobicContact CD2-CB 4.35Å; R495-H499 PolarHBondContact O-CD2 3Å; R495-H499 PolarHBondContact O-CE1 2.81Å; R495-H499 PolarHBondContact O-N 2.88Å; R495-H499 PolarHBondContact O-ND1 3.23Å; R495-H499 VanDerWaalsContact O-ND1 3.13Å; I496-H499 PolarHBondContact O-N 3.22Å; H499-A501 VanDerWaalsContact C-N 3.31Å; H499-A501 PolarHBondContact O-N 3.26Å; H499-V502 WeakPolarHBondContact O-CB 3.35Å; H499-V502 PolarHBondContact O-N 3.41Å; H499-I503 WeakPolarHBondContact O-CG1 3.41Å; H499-I503 PolarHBondContact O-N 3.04Å; H499-L515 HydrophobicContact CB-CD1 4.31Å; H499-L515 HydrophobicContact CB-CD2 4.33Å
500	E	98.4	Very high	97.5	Very high	76 Å²	76	40.2 Å²	40.2	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-60	-42.6	172.2	-70.6	-174.6	125.5	0	0	111.5	Y424 I496 K497 V502 I503 A504 L515	Y424-E500 VanDerWaalsContact OH-CD 3.28Å; Y424-E500 PolarHBondContact OH-OE1 2.69Å; I496-E500 HydrophobicContact CG2-CG 4.44Å; I496-E500 WeakPolarHBondContact O-CG 3.25Å; I496-E500 PolarHBondContact O-N 3.44Å; K497-E500 PolarHBondContact O-N 3.25Å; E500-V502 PolarHBondContact O-N 3.39Å; E500-I503 PolarHBondContact O-N 3.05Å; E500-A504 VanDerWaalsContact O-CB 3.3Å; E500-A504 WeakPolarHBondContact O-CB 3.49Å; E500-A504 PolarHBondContact O-N 3.46Å; E500-L515 HydrophobicContact CG-CD2 4.04Å
501	A	98.1	Very high	97.6	Very high	12 Å²	12	47.3 Å²	47.3	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-43.2	174.4	0	0	0	0	0	112.3	K497 Q498 H499 I503 A504 E505 T636 A637	K497-A501 WeakPolarHBondContact O-CB 3.44Å; K497-A501 PolarHBondContact O-N 3.21Å; Q498-A501 WeakPolarHBondContact O-CB 3.44Å; Q498-A501 PolarHBondContact O-N 2.91Å; H499-A501 VanDerWaalsContact C-N 3.31Å; H499-A501 PolarHBondContact O-N 3.26Å; A501-I503 VanDerWaalsContact C-N 3.31Å; A501-I503 PolarHBondContact O-N 2.82Å; A501-A504 PolarHBondContact O-N 2.81Å; A501-E505 PolarHBondContact O-N 3.27Å; A501-T636 WeakPolarHBondContact CB-OG1 3.26Å; A501-A637 HydrophobicContact CB-CB 3.92Å
502	V	98.1	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-40.4	174.7	168.6	0	0	0	0	112.2	I452 Q498 H499 E500 V507 L508 A637	I452-V502 HydrophobicContact CB-CG2 4.19Å; I452-V502 HydrophobicContact CG2-CG1 4.04Å; I452-V502 HydrophobicContact CG2-CG2 4.27Å; Q498-V502 WeakPolarHBondContact O-CG2 3.43Å; Q498-V502 PolarHBondContact O-N 2.9Å; Q498-V502 VanDerWaalsContact O-N 3.11Å; H499-V502 WeakPolarHBondContact O-CB 3.35Å; H499-V502 PolarHBondContact O-N 3.41Å; E500-V502 PolarHBondContact O-N 3.39Å; V502-V507 HydrophobicContact CG1-CB 3.89Å; V502-V507 HydrophobicContact CG1-CG1 3.97Å; V502-V507 WeakPolarHBondContact O-CB 3.33Å; V502-V507 PolarHBondContact O-N 3.45Å; V502-V507 VanDerWaalsContact O-N 3.13Å; V502-L508 HydrophobicContact CG1-CD1 4.1Å; V502-L508 HydrophobicContact CG1-CG 4.07Å; V502-A637 HydrophobicContact CG2-CB 3.61Å
503	I	97.9	Very high	97.7	Very high	26 Å²	26	45.9 Å²	45.9	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-73.2	-42	178.3	-65.3	166.5	0	0	0	110.9	L478 H499 E500 A501 E505 R506 L508 P510 T513 L515	L478-I503 HydrophobicContact CD2-CD1 4.28Å; H499-I503 WeakPolarHBondContact O-CG1 3.41Å; H499-I503 PolarHBondContact O-N 3.04Å; E500-I503 PolarHBondContact O-N 3.05Å; A501-I503 VanDerWaalsContact C-N 3.31Å; A501-I503 PolarHBondContact O-N 2.82Å; I503-E505 VanDerWaalsContact C-N 3.29Å; I503-E505 PolarHBondContact O-N 2.72Å; I503-R506 WeakPolarHBondContact O-CA 3.48Å; I503-R506 PolarHBondContact O-N 2.99Å; I503-L508 HydrophobicContact CG1-CB 4.37Å; I503-P510 HydrophobicContact CG2-CB 3.72Å; I503-P510 HydrophobicContact CG2-CG 4.43Å; I503-T513 HydrophobicContact CD1-CG2 4.03Å; I503-T513 HydrophobicContact CG1-CG2 4.42Å; I503-L515 HydrophobicContact CD1-CB 4.19Å; I503-L515 HydrophobicContact CD1-CD2 4.3Å
504	A	97.4	Very high	97.7	Very high	81 Å²	81	43.5 Å²	43.5	67%	0.669	22%	0.219	S	C	*	.	H	α-helix	trans	-61.6	-37.5	179	0	0	0	0	0	112.1	E500 A501 R506	E500-A504 VanDerWaalsContact O-CB 3.3Å; E500-A504 WeakPolarHBondContact O-CB 3.49Å; E500-A504 PolarHBondContact O-N 3.46Å; A501-A504 PolarHBondContact O-N 2.81Å; A504-R506 PolarHBondContact O-N 2.93Å
505	E	96.8	Very high	97.8	Very high	68 Å²	68	43.7 Å²	43.7	32%	0.318	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	3.8	173.4	-71.2	-162.8	-113	0	0	114.2	A501 I503 V507 A634 P635 T636	A501-E505 PolarHBondContact O-N 3.27Å; I503-E505 VanDerWaalsContact C-N 3.29Å; I503-E505 PolarHBondContact O-N 2.72Å; E505-V507 HydrophobicContact CB-CG2 4.36Å; E505-V507 PolarHBondContact O-N 3.48Å; E505-V507 VanDerWaalsContact O-N 3.14Å; E505-A634 HydrophobicContact CB-CB 4.28Å; E505-A634 HydrophobicContact CG-CB 4.45Å; E505-A634 WeakPolarHBondContact OE1-CB 3.38Å; E505-P635 VanDerWaalsContact OE2-CD 3.32Å; E505-P635 WeakPolarHBondContact OE2-CD 3.49Å; E505-T636 VanDerWaalsContact CD-OG1 3.29Å; E505-T636 HydrophobicContact CG-CG2 4.26Å; E505-T636 WeakPolarHBondContact CG-OG1 3.4Å; E505-T636 WeakPolarHBondContact OE1-CA 3.37Å; E505-T636 VanDerWaalsContact OE1-CB 3.24Å; E505-T636 WeakPolarHBondContact OE1-CB 3.5Å; E505-T636 WeakPolarHBondContact OE1-CG2 3.05Å; E505-T636 PolarHBondContact OE1-N 2.75Å; E505-T636 PolarHBondContact OE1-OG1 3.02Å
506	R	96.8	Very high	97.8	Very high	189 Å²	189	43.7 Å²	43.7	71%	0.713	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	25.6	-179.7	-55.1	-173.5	175.2	-153.7	-3.1	114.2	I503 A504	I503-R506 WeakPolarHBondContact O-CA 3.48Å; I503-R506 PolarHBondContact O-N 2.99Å; A504-R506 PolarHBondContact O-N 2.93Å
507	V	95.9	Very high	97.8	Very high	22 Å²	22	43.6 Å²	43.6	13%	0.133	22%	0.22	C	C	.	.	S	Bend	trans	-65.7	-36.9	167.2	171.9	0	0	0	0	109.7	N454 A457 V502 E505 A634	N454-V507 WeakPolarHBondContact OD1-CG1 3.4Å; A457-V507 HydrophobicContact CB-CG1 3.45Å; A457-V507 VanDerWaalsContact CB-CG1 3.45Å; V502-V507 HydrophobicContact CG1-CB 3.89Å; V502-V507 HydrophobicContact CG1-CG1 3.97Å; V502-V507 WeakPolarHBondContact O-CB 3.33Å; V502-V507 PolarHBondContact O-N 3.45Å; V502-V507 VanDerWaalsContact O-N 3.13Å; E505-V507 HydrophobicContact CB-CG2 4.36Å; E505-V507 PolarHBondContact O-N 3.48Å; E505-V507 VanDerWaalsContact O-N 3.14Å; V507-A634 HydrophobicContact CG2-CB 3.8Å
508	L	97.4	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-115.4	137.1	159.1	-63.5	173.9	0	0	0	107.9	I452 A457 M460 L476 L478 V502 I503 W512	I452-L508 HydrophobicContact CD1-CD1 4.45Å; A457-L508 HydrophobicContact CB-CD2 4.17Å; M460-L508 HydrophobicContact CB-CD2 3.96Å; M460-L508 HydrophobicContact CE-CD1 3.72Å; M460-L508 HydrophobicContact CE-CD2 4.12Å; M460-L508 HydrophobicContact CE-CG 4.45Å; M460-L508 HydrophobicContact SD-CD1 4.01Å; M460-L508 HydrophobicContact SD-CD2 4.28Å; L476-L508 HydrophobicContact CD2-CD1 4.13Å; L476-L508 HydrophobicContact CD2-CD2 4.26Å; L478-L508 HydrophobicContact CD2-CD1 4.04Å; V502-L508 HydrophobicContact CG1-CD1 4.1Å; V502-L508 HydrophobicContact CG1-CG 4.07Å; I503-L508 HydrophobicContact CG1-CB 4.37Å; L508-W512 HydrophobicContact CD2-CH2 3.88Å; L508-W512 HydrophobicContact CD2-CZ3 4.41Å
509	D	97.3	Very high	97.8	Very high	45 Å²	45	38.7 Å²	38.7	24%	0.241	20%	0.199	C	C	.	.			trans	-79.1	129.6	-176.7	-161.6	-51.2	0	0	0	110.5	E511 W512 T513	D509-E511 PolarHBondContact O-N 3.3Å; D509-E511 WeakPolarHBondContact OD1-CB 3.39Å; D509-E511 PolarHBondContact OD1-N 2.89Å; D509-W512 VanDerWaalsContact CB-CD1 3.48Å; D509-W512 HydrophobicContact CB-CD2 4.1Å; D509-W512 HydrophobicContact CB-CG 4.15Å; D509-W512 HydrophobicContact CB-CZ2 3.81Å; D509-T513 WeakPolarHBondContact O-CB 3.47Å; D509-T513 PolarHBondContact O-N 3.02Å; D509-T513 PolarHBondContact O-OG1 3.37Å
510	P	97.2	Very high	97.9	Very high	59 Å²	59	38.7 Å²	38.7	38%	0.383	20%	0.199	S	C	.	.	S	Bend	trans	-63.6	-24.5	176.9	25.5	-35	0	0	0	114.1	I503 W512	I503-P510 HydrophobicContact CG2-CB 3.72Å; I503-P510 HydrophobicContact CG2-CG 4.43Å; P510-W512 PolarHBondContact O-N 3.23Å
511	E	96.9	Very high	97.9	Very high	154 Å²	154	35.2 Å²	35.2	72%	0.72	18%	0.183	S	C	*	.	S	Bend	trans	-65.7	-41.9	-177.4	-67.2	-170.8	148.9	0	0	111.4	K438 D509	K438-E511 PolarHBondContact NZ-O 3.26Å; D509-E511 PolarHBondContact O-N 3.3Å; D509-E511 WeakPolarHBondContact OD1-CB 3.39Å; D509-E511 PolarHBondContact OD1-N 2.89Å
512	W	97.2	Very high	97.9	Very high	26 Å²	26	34.8 Å²	34.8	10%	0.098	18%	0.179	C	C	.	.	S	Bend	trans	-105.5	11.5	-178.6	58.7	-102.6	0	0	0	115	F444 R461 R464 I475 L476 L508 D509 P510	F444-W512 HydrophobicContact CZ-CE3 4.37Å; F444-W512 HydrophobicContact CZ-CZ3 4.27Å; R461-W512 HydrophobicContact CG-CH2 4.01Å; R461-W512 HydrophobicContact CG-CZ2 4.22Å; R464-W512 VanDerWaalsContact CD-CD2 3.46Å; R464-W512 VanDerWaalsContact CD-CE2 3.44Å; R464-W512 VanDerWaalsContact CZ-CB 3.41Å; R464-W512 VanDerWaalsContact CZ-CD1 3.48Å; R464-W512 VanDerWaalsContact NE-CD1 3.34Å; I475-W512 HydrophobicContact CD1-CB 4.05Å; L476-W512 HydrophobicContact CB-CE3 3.75Å; L476-W512 HydrophobicContact CB-CZ3 3.78Å; L476-W512 HydrophobicContact CD2-CE3 4.47Å; L476-W512 HydrophobicContact CD2-CZ3 3.76Å; L476-W512 HydrophobicContact CG-CZ3 4.42Å; L476-W512 PolarHBondContact N-O 2.81Å; L508-W512 HydrophobicContact CD2-CH2 3.88Å; L508-W512 HydrophobicContact CD2-CZ3 4.41Å; D509-W512 VanDerWaalsContact CB-CD1 3.48Å; D509-W512 HydrophobicContact CB-CD2 4.1Å; D509-W512 HydrophobicContact CB-CG 4.15Å; D509-W512 HydrophobicContact CB-CZ2 3.81Å; P510-W512 PolarHBondContact O-N 3.23Å
513	T	98.6	Very high	97.9	Very high	12 Å²	12	35.4 Å²	35.4	7%	0.074	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128	178.9	-56.5	0	0	0	0	111.7	L476 L478 I503 D509	L476-T513 HydrophobicContact CD2-CG2 3.92Å; L476-T513 HydrophobicContact CG-CG2 4.29Å; L478-T513 HydrophobicContact CB-CG2 3.98Å; L478-T513 HydrophobicContact CD2-CG2 4.44Å; I503-T513 HydrophobicContact CD1-CG2 4.03Å; I503-T513 HydrophobicContact CG1-CG2 4.42Å; D509-T513 WeakPolarHBondContact O-CB 3.47Å; D509-T513 PolarHBondContact O-N 3.02Å; D509-T513 PolarHBondContact O-OG1 3.37Å
514	V	98.6	Very high	97.9	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.073	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.2	168.6	177	0	0	0	0	108.2	L431 I434 F435 K438 I475 L476 L477 L478	L431-V514 HydrophobicContact CD2-CG1 4.16Å; I434-V514 HydrophobicContact CG2-CG1 4.12Å; I434-V514 HydrophobicContact CG2-CG2 3.81Å; F435-V514 HydrophobicContact CD1-CG2 4.31Å; F435-V514 HydrophobicContact CE1-CB 4.09Å; F435-V514 HydrophobicContact CE1-CG1 4.31Å; F435-V514 HydrophobicContact CE1-CG2 3.91Å; K438-V514 HydrophobicContact CD-CG2 3.8Å; I475-V514 HydrophobicContact CG2-CG2 3.84Å; L476-V514 PolarHBondContact O-N 3Å; L477-V514 HydrophobicContact CD1-CB 4.46Å; L477-V514 HydrophobicContact CD1-CG1 4.19Å; L478-V514 PolarHBondContact N-O 3.29Å
515	L	98.7	Very high	98	Very high	28 Å²	28	30.3 Å²	30.3	15%	0.147	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.6	173.6	176.4	61.2	0	0	0	109.6	Y424 L478 P480 I496 H499 E500 I503	Y424-L515 HydrophobicContact CD1-CD2 4.24Å; Y424-L515 HydrophobicContact CD1-CG 4.19Å; Y424-L515 HydrophobicContact CE1-CD2 4.07Å; Y424-L515 HydrophobicContact CE1-CG 4.5Å; L478-L515 HydrophobicContact CD2-CD1 3.98Å; L478-L515 HydrophobicContact CG-CD1 4.07Å; L478-L515 WeakPolarHBondContact O-CA 3.33Å; P480-L515 HydrophobicContact CG-CD1 3.88Å; I496-L515 HydrophobicContact CD1-CD1 4.36Å; H499-L515 HydrophobicContact CB-CD1 4.31Å; H499-L515 HydrophobicContact CB-CD2 4.33Å; E500-L515 HydrophobicContact CG-CD2 4.04Å; I503-L515 HydrophobicContact CD1-CB 4.19Å; I503-L515 HydrophobicContact CD1-CD2 4.3Å
516	S	98.8	Very high	98.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.			trans	-138.3	155.4	177.7	-174.4	0	0	0	0	111	Y424 K426 L478 H479 P480	Y424-S516 CarbonylContact O-C 3.58Å; Y424-S516 VanDerWaalsContact O-CA 3.31Å; Y424-S516 WeakPolarHBondContact O-CA 3.39Å; Y424-S516 PolarHBondContact O-OG 2.71Å; K426-S516 WeakPolarHBondContact CB-OG 3.3Å; L478-S516 PolarHBondContact O-N 3.14Å; L478-S516 VanDerWaalsContact O-N 3.14Å; H479-S516 WeakPolarHBondContact CA-O 3.43Å; H479-S516 PolarHBondContact CD2-O 3.49Å; P480-S516 WeakPolarHBondContact CD-O 3.43Å; P480-S516 WeakPolarHBondContact CG-O 3.38Å
517	I	98.8	Very high	98.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.			trans	-99.1	126.5	177.2	-67.1	171.7	0	0	0	109.6	L421 Y424 R425 P480 L492 I496	L421-I517 HydrophobicContact CB-CD1 3.88Å; L421-I517 HydrophobicContact CD1-CD1 4.42Å; Y424-I517 HydrophobicContact CD2-CD1 4.33Å; Y424-I517 HydrophobicContact CG-CD1 4.38Å; Y424-I517 PolarHBondContact O-N 3.48Å; R425-I517 HydrophobicContact CG-CB 4.04Å; R425-I517 HydrophobicContact CG-CD1 4.42Å; R425-I517 HydrophobicContact CG-CG2 4.17Å; P480-I517 HydrophobicContact CG-CG1 4.47Å; P480-I517 WeakPolarHBondContact O-CA 3.46Å; L492-I517 HydrophobicContact CD1-CD1 4.36Å; L492-I517 HydrophobicContact CD1-CG1 4.48Å; L492-I517 HydrophobicContact CD2-CD1 4.2Å; L492-I517 HydrophobicContact CD2-CG2 4.4Å; L492-I517 HydrophobicContact CG-CD1 4.48Å; I496-I517 HydrophobicContact CD1-CD1 3.9Å; I496-I517 HydrophobicContact CD1-CG1 3.72Å; I496-I517 HydrophobicContact CG1-CD1 4.06Å; I496-I517 HydrophobicContact CG1-CG1 4.4Å
518	F	98.8	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-85.7	121.1	171.5	177.3	-130.1	0	0	0	109.7	W281 H479 P480 L481 G482 S520 W532 S536	W281-F518 HydrophobicContact CB-CE2 4.48Å; W281-F518 HydrophobicContact CD2-CD2 4.09Å; W281-F518 AromaticContact CD2-CE2 3.85Å; W281-F518 HydrophobicContact CD2-CE2 3.85Å; W281-F518 HydrophobicContact CE3-CD2 4.1Å; W281-F518 AromaticContact CE3-CE2 3.85Å; W281-F518 HydrophobicContact CE3-CE2 3.85Å; W281-F518 HydrophobicContact CG-CE2 4.14Å; W281-F518 HydrophobicContact CH2-CD2 4.46Å; W281-F518 HydrophobicContact CZ2-CD2 4.43Å; W281-F518 HydrophobicContact CZ3-CD2 4.3Å; W281-F518 HydrophobicContact CZ3-CE2 4.45Å; H479-F518 PolarHBondContact CD2-N 3.39Å; H479-F518 PolarHBondContact NE2-N 3.16Å; P480-F518 PolarHBondContact O-N 3.41Å; L481-F518 HydrophobicContact CD1-CD1 4.21Å; L481-F518 HydrophobicContact CD1-CE1 4.5Å; L481-F518 HydrophobicContact CG-CD1 4.37Å; G482-F518 PolarHBondContact N-O 2.76Å; F518-S520 VanDerWaalsContact C-N 3.33Å; F518-S520 PolarHBondContact O-N 2.9Å; F518-W532 AromaticContact CZ-CE2 3.97Å; F518-W532 AromaticContact CZ-CZ2 3.98Å; F518-W532 HydrophobicContact CZ-CZ2 3.98Å; F518-W532 AromaticContact CZ-NE1 3.79Å; F518-S536 WeakPolarHBondContact CZ-OG 3.46Å
519	P	98.6	Very high	98.3	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.013	10%	0.104	C	C	.	.			trans	-77.2	-12.1	-167.1	29	-36.4	0	0	0	115.3	Q275 V276 G483	Q275-P519 VanDerWaalsContact CD-CB 3.44Å; Q275-P519 HydrophobicContact CG-CB 4.01Å; Q275-P519 HydrophobicContact CG-CG 4.33Å; V276-P519 HydrophobicContact CG2-CG 4.2Å; G483-P519 WeakPolarHBondContact CA-O 3.31Å; G483-P519 PolarHBondContact N-O 2.86Å
520	S	98.8	Very high	98.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-57.5	138	-176.2	-175.6	0	0	0	0	112.7	W273 L481 G483 F518 W532	W273-S520 WeakPolarHBondContact CH2-OG 3.46Å; L481-S520 WeakPolarHBondContact CD1-O 3.5Å; L481-S520 VanDerWaalsContact CD2-O 3.24Å; L481-S520 WeakPolarHBondContact CD2-O 3.48Å; L481-S520 WeakPolarHBondContact CG-O 3.44Å; G483-S520 WeakPolarHBondContact CA-O 3.47Å; G483-S520 PolarHBondContact N-O 2.87Å; F518-S520 VanDerWaalsContact C-N 3.33Å; F518-S520 PolarHBondContact O-N 2.9Å; S520-W532 PolarHBondContact OG-NE1 3.32Å
521	P	98.8	Very high	98.4	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.026	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-55.7	144.2	158.8	-25.9	37.9	0	0	0	111.4	V269 Q272 W273 W484	V269-P521 HydrophobicContact CG1-CB 4.24Å; V269-P521 HydrophobicContact CG1-CG 3.93Å; Q272-P521 HydrophobicContact CB-CG 3.82Å; W273-P521 HydrophobicContact CD2-CG 4.01Å; W273-P521 HydrophobicContact CG-CG 4.25Å; W273-P521 HydrophobicContact CZ2-CB 3.93Å; W273-P521 HydrophobicContact CZ2-CG 3.95Å; W484-P521 HydrophobicContact CB-CB 4.28Å
522	M	98.7	Very high	98.5	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.015	5%	0.045	C	C	.	.	P	Polyproline II helix	trans	-86.3	126.3	173.2	-173.1	74.4	-162.7	0	0	109.4	L481 W484 T485 Y524 A552	L481-M522 HydrophobicContact CD1-CB 3.98Å; L481-M522 HydrophobicContact CD1-CG 4.5Å; L481-M522 HydrophobicContact CD1-SD 3.74Å; L481-M522 HydrophobicContact CD2-CB 3.79Å; W484-M522 VanDerWaalsContact CE3-O 3.23Å; W484-M522 WeakPolarHBondContact CZ3-O 3.25Å; W484-M522 WeakPolarHBondContact O-CB 3.34Å; W484-M522 PolarHBondContact O-N 3.36Å; T485-M522 HydrophobicContact CG2-CB 4.15Å; M522-Y524 HydrophobicContact CB-CD2 4.5Å; M522-Y524 HydrophobicContact CB-CE2 3.92Å; M522-Y524 HydrophobicContact CE-CD1 4.14Å; M522-Y524 HydrophobicContact CE-CE1 4.45Å; M522-Y524 HydrophobicContact CE-CG 4.47Å; M522-Y524 HydrophobicContact CG-CD1 4.08Å; M522-Y524 HydrophobicContact CG-CD2 3.89Å; M522-Y524 HydrophobicContact CG-CE1 3.79Å; M522-Y524 HydrophobicContact CG-CE2 3.55Å; M522-Y524 HydrophobicContact CG-CG 4.11Å; M522-Y524 VanDerWaalsContact CG-CZ 3.48Å; M522-A552 HydrophobicContact CE-CB 3.64Å
523	M	98.5	Very high	98.5	Very high	12 Å²	12	7.3 Å²	7.3	6%	0.059	4%	0.041	C	C	.	.			trans	-95	-25.1	-179.9	-68	158	-76.8	0	0	112.3	W273 I334 Q383 F384 H391 A393 A525 E529	W273-M523 HydrophobicContact CH2-CE 4.15Å; W273-M523 HydrophobicContact CH2-SD 4.35Å; W273-M523 HydrophobicContact CZ2-SD 4.3Å; I334-M523 HydrophobicContact CB-CE 4.32Å; I334-M523 HydrophobicContact CB-SD 4.07Å; I334-M523 HydrophobicContact CD1-CE 3.45Å; I334-M523 VanDerWaalsContact CD1-CE 3.45Å; I334-M523 HydrophobicContact CD1-SD 3.87Å; I334-M523 HydrophobicContact CG1-CE 4.42Å; I334-M523 HydrophobicContact CG2-CE 3.75Å; I334-M523 HydrophobicContact CG2-SD 3.77Å; Q383-M523 PolarHBondContact NE2-SD 3.37Å; F384-M523 HydrophobicContact CE1-CB 3.92Å; F384-M523 WeakPolarHBondContact CE1-O 3.44Å; F384-M523 HydrophobicContact CZ-CB 4.37Å; H391-M523 PolarHBondContact CE1-O 3.02Å; A393-M523 WeakPolarHBondContact CB-O 3.28Å; M523-A525 VanDerWaalsContact C-N 3.29Å; M523-A525 HydrophobicContact CB-CB 4.15Å; M523-E529 HydrophobicContact CE-CB 4.22Å; M523-E529 HydrophobicContact CE-CG 3.68Å; M523-E529 WeakPolarHBondContact CE-OE1 3.16Å; M523-E529 PolarHBondContact N-OE1 3.08Å; M523-E529 PolarHBondContact N-OE2 3.07Å
524	Y	98.4	Very high	98.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.			trans	62	34.5	-168.2	-50.1	-92	0	0	0	113.2	H391 W484 T485 K486 D489 M522 G526 E529 A552 I554 Y564	H391-Y524 PolarHBondContact NE2-O 3.17Å; W484-Y524 HydrophobicContact CH2-CE2 4.19Å; W484-Y524 HydrophobicContact CZ3-CD2 4.23Å; W484-Y524 AromaticContact CZ3-CE2 3.78Å; W484-Y524 HydrophobicContact CZ3-CE2 3.78Å; T485-Y524 WeakPolarHBondContact CA-OH 3.4Å; T485-Y524 WeakPolarHBondContact CB-OH 3.38Å; K486-Y524 HydrophobicContact CB-CE2 3.99Å; K486-Y524 HydrophobicContact CD-CD1 4.29Å; K486-Y524 HydrophobicContact CD-CE1 3.73Å; K486-Y524 HydrophobicContact CD-CE2 4.16Å; K486-Y524 HydrophobicContact CG-CE1 4.1Å; K486-Y524 HydrophobicContact CG-CE2 4.11Å; K486-Y524 WeakPolarHBondContact CG-OH 3.45Å; K486-Y524 PolarHBondContact N-OH 3.14Å; D489-Y524 PolarHBondContact OD2-OH 3.08Å; M522-Y524 HydrophobicContact CB-CD2 4.5Å; M522-Y524 HydrophobicContact CB-CE2 3.92Å; M522-Y524 HydrophobicContact CE-CD1 4.14Å; M522-Y524 HydrophobicContact CE-CE1 4.45Å; M522-Y524 HydrophobicContact CE-CG 4.47Å; M522-Y524 HydrophobicContact CG-CD1 4.08Å; M522-Y524 HydrophobicContact CG-CD2 3.89Å; M522-Y524 HydrophobicContact CG-CE1 3.79Å; M522-Y524 HydrophobicContact CG-CE2 3.55Å; M522-Y524 HydrophobicContact CG-CG 4.11Å; M522-Y524 VanDerWaalsContact CG-CZ 3.48Å; Y524-G526 PolarHBondContact O-N 3.28Å; Y524-E529 VanDerWaalsContact CA-OE2 3.27Å; Y524-E529 WeakPolarHBondContact CA-OE2 3.47Å; Y524-E529 PolarHBondContact N-OE2 2.98Å; Y524-A552 CarbonylContact C-O 3.58Å; Y524-A552 VanDerWaalsContact CA-O 3.23Å; Y524-A552 WeakPolarHBondContact CA-O 3.37Å; Y524-I554 HydrophobicContact CD1-CB 4.33Å; Y524-I554 HydrophobicContact CD1-CD1 4.38Å; Y524-I554 HydrophobicContact CG-CB 4.47Å; Y524-I554 HydrophobicContact CG-CD1 4.24Å; Y524-Y564 WeakPolarHBondContact O-CE2 3.45Å; Y524-Y564 PolarHBondContact O-OH 2.59Å
525	A	98.5	Very high	98.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.			trans	-93.3	19	-176.1	0	0	0	0	0	114.3	F384 M523 T528 E529 Y564	F384-A525 HydrophobicContact CD1-CB 3.66Å; F384-A525 HydrophobicContact CE1-CB 3.94Å; F384-A525 HydrophobicContact CG-CB 4.38Å; M523-A525 VanDerWaalsContact C-N 3.29Å; M523-A525 HydrophobicContact CB-CB 4.15Å; A525-T528 WeakPolarHBondContact O-CB 3.45Å; A525-T528 PolarHBondContact O-N 2.85Å; A525-T528 VanDerWaalsContact O-N 3.1Å; A525-E529 HydrophobicContact CB-CB 3.82Å; A525-E529 PolarHBondContact N-OE2 2.76Å; A525-E529 PolarHBondContact O-N 3Å; A525-Y564 VanDerWaalsContact CA-OH 3.27Å; A525-Y564 WeakPolarHBondContact CA-OH 3.38Å
526	G	98.3	Very high	97.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	54.2	-127.3	169.2	0	0	0	0	0	114.3	Y524 T528 E529 V530 P551 A552	Y524-G526 PolarHBondContact O-N 3.28Å; G526-T528 PolarHBondContact O-N 3.36Å; G526-E529 PolarHBondContact O-N 3.42Å; G526-E529 VanDerWaalsContact O-N 3.13Å; G526-V530 PolarHBondContact O-N 3.47Å; G526-P551 CarbonylContact C-O 3.59Å; G526-P551 WeakPolarHBondContact CA-O 3.48Å; G526-A552 PolarHBondContact N-O 2.95Å
527	P	98.2	Very high	97.8	Very high	17 Å²	17	5.9 Å²	5.9	11%	0.11	3%	0.031	C	C	.	.	H	α-helix	trans	-59.2	-24.8	179.7	-23.2	33.4	0	0	0	115.5	Q531 H568 V572	P527-Q531 PolarHBondContact O-NE2 3.1Å; P527-H568 HydrophobicContact CB-CB 4.41Å; P527-H568 HydrophobicContact CG-CB 3.6Å; P527-V572 HydrophobicContact CB-CB 4.25Å; P527-V572 HydrophobicContact CB-CG2 4.01Å
528	T	98.6	Very high	97.3	Very high	36 Å²	36	7.6 Å²	7.6	22%	0.221	4%	0.04	C	C	.	.	H	α-helix	trans	-71.9	-47.1	174.3	-54.1	0	0	0	0	110.1	S333 I334 Q383 A525 G526	S333-T528 VanDerWaalsContact CB-O 3.24Å; S333-T528 WeakPolarHBondContact CB-O 3.39Å; S333-T528 WeakPolarHBondContact O-CG2 3.48Å; S333-T528 PolarHBondContact OG-O 2.74Å; I334-T528 HydrophobicContact CG2-CG2 4.41Å; Q383-T528 WeakPolarHBondContact O-CB 3.36Å; Q383-T528 PolarHBondContact O-OG1 3.18Å; Q383-T528 VanDerWaalsContact O-OG1 3.1Å; A525-T528 WeakPolarHBondContact O-CB 3.45Å; A525-T528 PolarHBondContact O-N 2.85Å; A525-T528 VanDerWaalsContact O-N 3.1Å; G526-T528 PolarHBondContact O-N 3.36Å
529	E	98.8	Very high	96.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-78.1	-30.2	-175.7	172.4	175.5	-158.4	0	0	113.6	M523 Y524 A525 G526 Q531 W532 H533 A552	M523-E529 HydrophobicContact CE-CB 4.22Å; M523-E529 HydrophobicContact CE-CG 3.68Å; M523-E529 WeakPolarHBondContact CE-OE1 3.16Å; M523-E529 PolarHBondContact N-OE1 3.08Å; M523-E529 PolarHBondContact N-OE2 3.07Å; Y524-E529 VanDerWaalsContact CA-OE2 3.27Å; Y524-E529 WeakPolarHBondContact CA-OE2 3.47Å; Y524-E529 PolarHBondContact N-OE2 2.98Å; A525-E529 HydrophobicContact CB-CB 3.82Å; A525-E529 PolarHBondContact N-OE2 2.76Å; A525-E529 PolarHBondContact O-N 3Å; G526-E529 PolarHBondContact O-N 3.42Å; G526-E529 VanDerWaalsContact O-N 3.13Å; E529-Q531 PolarHBondContact O-N 2.91Å; E529-W532 WeakPolarHBondContact O-CA 3.17Å; E529-W532 WeakPolarHBondContact O-CB 3.44Å; E529-W532 PolarHBondContact O-N 3.48Å; E529-H533 VanDerWaalsContact CD-NE2 3.33Å; E529-H533 VanDerWaalsContact CG-CE1 3.49Å; E529-H533 WeakPolarHBondContact CG-CE1 3.46Å; E529-H533 WeakPolarHBondContact CG-NE2 3.18Å; E529-H533 PolarHBondContact O-N 3.45Å; E529-H533 IonicContact OE1-CE1 3.8Å; E529-H533 PolarHBondContact OE1-CE1 2.9Å; E529-H533 IonicContact OE1-NE2 3.38Å; E529-H533 PolarHBondContact OE1-NE2 3.25Å; E529-A552 HydrophobicContact CB-CB 3.97Å; E529-A552 HydrophobicContact CG-CB 3.87Å
530	V	98.1	Very high	96.3	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.7	-29.7	178.3	72.3	0	0	0	0	112.2	G526 H533 A534 Y545 V547 P551 L573	G526-V530 PolarHBondContact O-N 3.47Å; V530-H533 PolarHBondContact O-N 3.23Å; V530-A534 WeakPolarHBondContact O-CB 3.38Å; V530-A534 PolarHBondContact O-N 3.09Å; V530-Y545 HydrophobicContact CG2-CE1 4.39Å; V530-V547 HydrophobicContact CG2-CG2 3.92Å; V530-P551 HydrophobicContact CB-CB 4.13Å; V530-P551 HydrophobicContact CB-CG 4.02Å; V530-P551 HydrophobicContact CG1-CG 4.29Å; V530-P551 HydrophobicContact CG2-CB 3.63Å; V530-P551 HydrophobicContact CG2-CG 3.75Å; V530-L573 HydrophobicContact CG2-CD2 4.32Å
531	Q	98	Very high	95.7	Very high	24 Å²	24	8.5 Å²	8.5	11%	0.112	5%	0.049	C	C	.	.	H	α-helix	trans	-62.3	-49	171.3	-69.5	174.4	76	0	0	110.8	N331 S333 P527 E529 H533 A534 R535 V572 L573 A576 L579	N331-Q531 PolarHBondContact ND2-OE1 3.31Å; S333-Q531 WeakPolarHBondContact OG-CB 3.38Å; P527-Q531 PolarHBondContact O-NE2 3.1Å; E529-Q531 PolarHBondContact O-N 2.91Å; Q531-H533 VanDerWaalsContact C-N 3.34Å; Q531-H533 PolarHBondContact O-N 3.35Å; Q531-A534 PolarHBondContact O-N 3.47Å; Q531-A534 VanDerWaalsContact O-N 3.13Å; Q531-R535 WeakPolarHBondContact O-CB 3.35Å; Q531-R535 PolarHBondContact O-N 3.06Å; Q531-V572 HydrophobicContact CG-CG1 4.17Å; Q531-L573 HydrophobicContact CB-CD1 4.44Å; Q531-L573 HydrophobicContact CG-CD1 4.07Å; Q531-A576 HydrophobicContact CG-CB 4.15Å; Q531-L579 HydrophobicContact CB-CD1 4.43Å; Q531-L579 HydrophobicContact CG-CD1 4.45Å
532	W	98.3	Very high	95.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.8	-45	173.7	165.6	-116.7	0	0	0	112.7	W273 V276 W281 A282 S333 I334 I336 F518 S520 E529 A534 R535 S536	W273-W532 HydrophobicContact CZ3-CZ2 4.18Å; V276-W532 HydrophobicContact CG1-CH2 3.56Å; V276-W532 HydrophobicContact CG1-CZ2 3.49Å; V276-W532 VanDerWaalsContact CG1-CZ2 3.49Å; W281-W532 HydrophobicContact CB-CH2 4.22Å; A282-W532 HydrophobicContact CB-CH2 3.98Å; A282-W532 HydrophobicContact CB-CZ3 4.21Å; S333-W532 PolarHBondContact OG-N 3.09Å; I334-W532 HydrophobicContact CD1-CB 4.02Å; I334-W532 VanDerWaalsContact CD1-CD1 3.45Å; I334-W532 HydrophobicContact CD1-CD2 3.47Å; I334-W532 VanDerWaalsContact CD1-CD2 3.47Å; I334-W532 HydrophobicContact CD1-CE3 4.14Å; I334-W532 HydrophobicContact CD1-CG 3.37Å; I334-W532 HydrophobicContact CD1-CZ2 4.45Å; I334-W532 HydrophobicContact CG1-CB 3.9Å; I334-W532 HydrophobicContact CG1-CD2 3.84Å; I334-W532 HydrophobicContact CG1-CE3 4.11Å; I334-W532 HydrophobicContact CG1-CG 3.74Å; I334-W532 HydrophobicContact CG2-CB 4Å; I336-W532 HydrophobicContact CD1-CH2 3.83Å; I336-W532 HydrophobicContact CD1-CZ2 4.38Å; I336-W532 HydrophobicContact CD1-CZ3 4.01Å; F518-W532 AromaticContact CZ-CE2 3.97Å; F518-W532 AromaticContact CZ-CZ2 3.98Å; F518-W532 HydrophobicContact CZ-CZ2 3.98Å; F518-W532 AromaticContact CZ-NE1 3.79Å; S520-W532 PolarHBondContact OG-NE1 3.32Å; E529-W532 WeakPolarHBondContact O-CA 3.17Å; E529-W532 WeakPolarHBondContact O-CB 3.44Å; E529-W532 PolarHBondContact O-N 3.48Å; W532-A534 VanDerWaalsContact C-N 3.28Å; W532-A534 PolarHBondContact O-N 2.69Å; W532-R535 HydrophobicContact CE3-CG 4Å; W532-R535 HydrophobicContact CZ3-CG 4.41Å; W532-R535 PolarHBondContact O-N 3.27Å; W532-S536 VanDerWaalsContact CE2-OG 3.28Å; W532-S536 VanDerWaalsContact CH2-OG 3.29Å; W532-S536 WeakPolarHBondContact CH2-OG 3.46Å; W532-S536 VanDerWaalsContact CZ2-OG 3.27Å; W532-S536 WeakPolarHBondContact CZ2-OG 3.35Å; W532-S536 WeakPolarHBondContact CZ3-OG 3.25Å; W532-S536 WeakPolarHBondContact O-CB 3.12Å; W532-S536 PolarHBondContact O-N 3.18Å; W532-S536 PolarHBondContact O-OG 3.38Å
533	H	98.3	Very high	94.3	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.019	6%	0.063	C	C	.	.	H	α-helix	trans	-60.9	-37.2	177.2	-66.5	172.3	0	0	0	112.2	Q447 E529 V530 Q531 R537 Y545	Q447-H533 HydrophobicContact CG-CB 4.12Å; Q447-H533 PolarHBondContact NE2-CE1 2.92Å; E529-H533 VanDerWaalsContact CD-NE2 3.33Å; E529-H533 VanDerWaalsContact CG-CE1 3.49Å; E529-H533 WeakPolarHBondContact CG-CE1 3.46Å; E529-H533 WeakPolarHBondContact CG-NE2 3.18Å; E529-H533 PolarHBondContact O-N 3.45Å; E529-H533 IonicContact OE1-CE1 3.8Å; E529-H533 PolarHBondContact OE1-CE1 2.9Å; E529-H533 IonicContact OE1-NE2 3.38Å; E529-H533 PolarHBondContact OE1-NE2 3.25Å; V530-H533 PolarHBondContact O-N 3.23Å; Q531-H533 VanDerWaalsContact C-N 3.34Å; Q531-H533 PolarHBondContact O-N 3.35Å; H533-R537 VanDerWaalsContact O-CD 3.3Å; H533-R537 WeakPolarHBondContact O-CD 3.27Å; H533-R537 PolarHBondContact O-NH1 2.76Å; H533-Y545 WeakPolarHBondContact CB-OH 3.33Å
534	A	95.6	Very high	94	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-74.7	-49.6	177.4	0	0	0	0	0	111.7	V530 Q531 W532 S536 R537 I538 Y545 L573 L579 L582	V530-A534 WeakPolarHBondContact O-CB 3.38Å; V530-A534 PolarHBondContact O-N 3.09Å; Q531-A534 PolarHBondContact O-N 3.47Å; Q531-A534 VanDerWaalsContact O-N 3.13Å; W532-A534 VanDerWaalsContact C-N 3.28Å; W532-A534 PolarHBondContact O-N 2.69Å; A534-S536 VanDerWaalsContact C-N 3.31Å; A534-S536 PolarHBondContact O-N 3.31Å; A534-R537 WeakPolarHBondContact O-CB 3.42Å; A534-R537 PolarHBondContact O-N 3.43Å; A534-I538 PolarHBondContact O-N 3.01Å; A534-Y545 HydrophobicContact CB-CD1 4.02Å; A534-Y545 HydrophobicContact CB-CD2 4.08Å; A534-Y545 HydrophobicContact CB-CE1 3.98Å; A534-Y545 HydrophobicContact CB-CE2 4.07Å; A534-Y545 HydrophobicContact CB-CG 4.05Å; A534-L573 HydrophobicContact CB-CD1 3.64Å; A534-L573 HydrophobicContact CB-CD2 4.12Å; A534-L573 HydrophobicContact CB-CG 4.41Å; A534-L579 HydrophobicContact CB-CD1 4.44Å; A534-L582 HydrophobicContact CB-CD1 3.78Å
535	R	92.9	Very high	93.7	Very high	21 Å²	21	12 Å²	12	8%	0.079	6%	0.064	C	C	.	.	H	α-helix	trans	-60.3	-40.7	-177.6	106.7	82.2	171.6	-162.8	1.9	111.7	A282 T283 I330 N331 Q332 Q531 W532 R537 I538 L579	A282-R535 PolarHBondContact O-NH2 3.12Å; T283-R535 PolarHBondContact O-NH1 3.44Å; T283-R535 PolarHBondContact O-NH2 3.29Å; I330-R535 VanDerWaalsContact CG2-NH1 3.25Å; N331-R535 HydrophobicContact CB-CB 4.36Å; N331-R535 WeakPolarHBondContact O-CD 3.31Å; N331-R535 PolarHBondContact O-NE 2.83Å; Q332-R535 VanDerWaalsContact OE1-CZ 3.24Å; Q531-R535 WeakPolarHBondContact O-CB 3.35Å; Q531-R535 PolarHBondContact O-N 3.06Å; W532-R535 HydrophobicContact CE3-CG 4Å; W532-R535 HydrophobicContact CZ3-CG 4.41Å; W532-R535 PolarHBondContact O-N 3.27Å; R535-R537 PolarHBondContact O-N 3.31Å; R535-R537 VanDerWaalsContact O-N 3.14Å; R535-I538 VanDerWaalsContact O-CB 3.26Å; R535-I538 WeakPolarHBondContact O-CB 3.41Å; R535-I538 PolarHBondContact O-N 2.88Å; R535-L579 HydrophobicContact CB-CD2 3.57Å
536	S	95.2	Very high	93.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.8	-30.3	177.3	-59.5	0	0	0	0	111.8	W281 F518 W532 A534 A539	W281-S536 WeakPolarHBondContact CZ3-O 3.47Å; F518-S536 WeakPolarHBondContact CZ-OG 3.46Å; W532-S536 VanDerWaalsContact CE2-OG 3.28Å; W532-S536 VanDerWaalsContact CH2-OG 3.29Å; W532-S536 WeakPolarHBondContact CH2-OG 3.46Å; W532-S536 VanDerWaalsContact CZ2-OG 3.27Å; W532-S536 WeakPolarHBondContact CZ2-OG 3.35Å; W532-S536 WeakPolarHBondContact CZ3-OG 3.25Å; W532-S536 WeakPolarHBondContact O-CB 3.12Å; W532-S536 PolarHBondContact O-N 3.18Å; W532-S536 PolarHBondContact O-OG 3.38Å; A534-S536 VanDerWaalsContact C-N 3.31Å; A534-S536 PolarHBondContact O-N 3.31Å; S536-A539 WeakPolarHBondContact O-CB 3.39Å; S536-A539 PolarHBondContact O-N 2.75Å
537	R	94.9	Very high	93.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-78.3	-22.8	179.9	-86.1	46.7	174.8	-96.8	-0.8	111.9	A445 Q447 H479 H533 A534 R535 A539 A540 G541 I542	A445-R537 HydrophobicContact CB-CB 4.41Å; A445-R537 HydrophobicContact CB-CG 3.88Å; Q447-R537 VanDerWaalsContact OE1-NH1 3.17Å; H479-R537 VanDerWaalsContact CG-NH2 3.25Å; H479-R537 PolarHBondContact ND1-NE 3Å; H479-R537 PolarHBondContact ND1-NH2 3.42Å; H479-R537 PolarHBondContact O-NH2 3.15Å; H533-R537 VanDerWaalsContact O-CD 3.3Å; H533-R537 WeakPolarHBondContact O-CD 3.27Å; H533-R537 PolarHBondContact O-NH1 2.76Å; A534-R537 WeakPolarHBondContact O-CB 3.42Å; A534-R537 PolarHBondContact O-N 3.43Å; R535-R537 PolarHBondContact O-N 3.31Å; R535-R537 VanDerWaalsContact O-N 3.14Å; R537-A539 PolarHBondContact O-N 3.36Å; R537-A540 CarbonylContact O-C 3.58Å; R537-A540 PolarHBondContact O-N 2.81Å; R537-G541 PolarHBondContact O-N 3.01Å; R537-I542 HydrophobicContact CB-CB 3.95Å; R537-I542 HydrophobicContact CB-CG1 3.79Å; R537-I542 HydrophobicContact CB-CG2 4.36Å; R537-I542 HydrophobicContact CG-CG1 4.22Å; R537-I542 VanDerWaalsContact O-CB 3.22Å; R537-I542 WeakPolarHBondContact O-CB 3.4Å; R537-I542 WeakPolarHBondContact O-CG1 3.33Å; R537-I542 PolarHBondContact O-N 3.44Å; R537-I542 VanDerWaalsContact O-N 3.11Å
538	I	89.5	Confident	92.6	Very high	37 Å²	37	12.3 Å²	12.3	19%	0.19	7%	0.068	C	C	.	.	H	α-helix	trans	-58.9	-40.6	168.5	-57.6	176.1	0	0	0	110.1	A534 R535 A540 G541 L579 L582	A534-I538 PolarHBondContact O-N 3.01Å; R535-I538 VanDerWaalsContact O-CB 3.26Å; R535-I538 WeakPolarHBondContact O-CB 3.41Å; R535-I538 PolarHBondContact O-N 2.88Å; I538-A540 PolarHBondContact O-N 3.07Å; I538-G541 PolarHBondContact O-N 3.12Å; I538-L579 HydrophobicContact CD1-CD2 3.66Å; I538-L582 HydrophobicContact CD1-CD1 3.82Å; I538-L582 HydrophobicContact CD1-CG 3.81Å; I538-L582 HydrophobicContact CG1-CD1 3.71Å; I538-L582 HydrophobicContact CG1-CD2 3.81Å; I538-L582 HydrophobicContact CG1-CG 3.64Å
539	A	87.7	Confident	92.1	Very high	13 Å²	13	19.1 Å²	19.1	11%	0.107	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-32	176.1	0	0	0	0	0	112.1	V240 P428 R432 S536 R537 G541	V240-A539 WeakPolarHBondContact CG2-O 3.48Å; P428-A539 HydrophobicContact CB-CB 4.21Å; P428-A539 WeakPolarHBondContact CB-O 3.42Å; P428-A539 HydrophobicContact CG-CB 4.3Å; R432-A539 PolarHBondContact NE-O 2.83Å; R432-A539 PolarHBondContact NH2-O 3.42Å; S536-A539 WeakPolarHBondContact O-CB 3.39Å; S536-A539 PolarHBondContact O-N 2.75Å; R537-A539 PolarHBondContact O-N 3.36Å; A539-G541 PolarHBondContact O-N 3.3Å
540	A	89	Confident	91.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	9.1	174.8	0	0	0	0	0	114	W281 P428 L431 R537 I538 I542	W281-A540 HydrophobicContact CH2-CB 4.23Å; W281-A540 HydrophobicContact CZ3-CB 3.99Å; P428-A540 HydrophobicContact CB-CB 4.42Å; L431-A540 HydrophobicContact CB-CB 4.29Å; L431-A540 HydrophobicContact CD1-CB 3.85Å; R537-A540 CarbonylContact O-C 3.58Å; R537-A540 PolarHBondContact O-N 2.81Å; I538-A540 PolarHBondContact O-N 3.07Å; A540-I542 HydrophobicContact CB-CG1 4.32Å
541	G	84.9	Confident	91.5	Very high	8 Å²	8	22.1 Å²	22.1	8%	0.082	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	30.1	179.6	0	0	0	0	0	114.2	R537 I538 A539 Q543	R537-G541 PolarHBondContact O-N 3.01Å; I538-G541 PolarHBondContact O-N 3.12Å; A539-G541 PolarHBondContact O-N 3.3Å; G541-Q543 PolarHBondContact O-NE2 3.16Å; G541-Q543 PolarHBondContact O-OE1 3.39Å
542	I	89.1	Confident	91.5	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.031	11%	0.105	C	C	.	.			trans	-85.8	134.1	178.1	-56.2	-57.2	0	0	0	110.8	F435 V443 A445 L477 R537 A540 H544 L582	F435-I542 HydrophobicContact CE2-CD1 3.97Å; F435-I542 HydrophobicContact CZ-CD1 4.23Å; V443-I542 HydrophobicContact CB-CD1 3.68Å; V443-I542 HydrophobicContact CG1-CD1 3.25Å; A445-I542 HydrophobicContact CB-CG1 4.24Å; A445-I542 HydrophobicContact CB-CG2 3.77Å; L477-I542 HydrophobicContact CB-CD1 4.18Å; L477-I542 HydrophobicContact CD2-CD1 3.72Å; L477-I542 HydrophobicContact CD2-CG1 4.08Å; R537-I542 HydrophobicContact CB-CB 3.95Å; R537-I542 HydrophobicContact CB-CG1 3.79Å; R537-I542 HydrophobicContact CB-CG2 4.36Å; R537-I542 HydrophobicContact CG-CG1 4.22Å; R537-I542 VanDerWaalsContact O-CB 3.22Å; R537-I542 WeakPolarHBondContact O-CB 3.4Å; R537-I542 WeakPolarHBondContact O-CG1 3.33Å; R537-I542 PolarHBondContact O-N 3.44Å; R537-I542 VanDerWaalsContact O-N 3.11Å; A540-I542 HydrophobicContact CB-CG1 4.32Å; I542-H544 WeakPolarHBondContact CG2-O 3.32Å; I542-L582 WeakPolarHBondContact O-CD2 3.44Å
543	Q	80.6	Confident	91.4	Very high	69 Å²	69	21.4 Å²	21.4	32%	0.322	11%	0.105	S	C	.	.			trans	-104.4	-27.9	175.9	-57	76.1	20.7	0	0	112.5	V443 G541 L582 H583	V443-Q543 PolarHBondContact O-N 2.89Å; G541-Q543 PolarHBondContact O-NE2 3.16Å; G541-Q543 PolarHBondContact O-OE1 3.39Å; Q543-L582 CarbonylContact O-C 3.59Å; Q543-L582 WeakPolarHBondContact O-CA 3.27Å; Q543-H583 PolarHBondContact O-N 3.12Å
544	H	90.6	Very high	91.2	Very high	12 Å²	12	22 Å²	22	6%	0.056	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.6	-176	-56	-86.1	0	0	0	111	V443 F444 A445 L467 H471 I542 H583 L585	V443-H544 PolarHBondContact O-N 3.46Å; F444-H544 CarbonylContact C-O 3.57Å; F444-H544 VanDerWaalsContact CA-O 3.25Å; F444-H544 WeakPolarHBondContact CA-O 3.33Å; F444-H544 HydrophobicContact CB-CB 3.65Å; A445-H544 PolarHBondContact N-O 2.78Å; L467-H544 VanDerWaalsContact CD2-CE1 3.47Å; L467-H544 WeakPolarHBondContact CD2-CE1 3.49Å; H471-H544 AromaticContact NE2-NE2 3.88Å; I542-H544 WeakPolarHBondContact CG2-O 3.32Å; H544-H583 WeakPolarHBondContact CA-O 3.18Å; H544-H583 AromaticContact CE1-CG 3.9Å; H544-H583 VanDerWaalsContact ND1-CB 3.33Å; H544-H583 WeakPolarHBondContact ND1-CB 3.29Å; H544-H583 AromaticContact ND1-CG 3.82Å; H544-L585 HydrophobicContact CB-CD1 4Å
545	Y	93.8	Very high	91.1	Very high	5 Å²	5	28 Å²	28	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.1	-176.6	-170.6	-92	0	0	0	111.1	A445 Q447 V530 H533 A534 V547 L573 H583 L585	A445-Y545 HydrophobicContact CB-CD2 4.25Å; Q447-Y545 HydrophobicContact CB-CE2 4.41Å; Q447-Y545 VanDerWaalsContact CB-OH 3.32Å; Q447-Y545 WeakPolarHBondContact CB-OH 3.38Å; V530-Y545 HydrophobicContact CG2-CE1 4.39Å; H533-Y545 WeakPolarHBondContact CB-OH 3.33Å; A534-Y545 HydrophobicContact CB-CD1 4.02Å; A534-Y545 HydrophobicContact CB-CD2 4.08Å; A534-Y545 HydrophobicContact CB-CE1 3.98Å; A534-Y545 HydrophobicContact CB-CE2 4.07Å; A534-Y545 HydrophobicContact CB-CG 4.05Å; Y545-V547 HydrophobicContact CD1-CB 4.28Å; Y545-V547 HydrophobicContact CE1-CB 4.25Å; Y545-L573 HydrophobicContact CD1-CD2 3.7Å; Y545-L573 HydrophobicContact CE1-CD2 3.9Å; Y545-H583 PolarHBondContact N-O 3.19Å; Y545-L585 PolarHBondContact O-N 3.02Å
546	I	94.1	Very high	91.1	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.036	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125	178.2	-51.8	176.3	0	0	0	108.9	F444 A445 F446 M460 T463 L585 F587	F444-I546 HydrophobicContact CD2-CD1 3.84Å; F444-I546 HydrophobicContact CE2-CD1 4.32Å; A445-I546 PolarHBondContact O-N 3.31Å; A445-I546 VanDerWaalsContact O-N 3.16Å; F446-I546 HydrophobicContact CD2-CB 4.01Å; F446-I546 HydrophobicContact CD2-CD1 3.95Å; F446-I546 HydrophobicContact CD2-CG2 4.03Å; F446-I546 HydrophobicContact CE2-CG2 4.21Å; M460-I546 HydrophobicContact CG-CD1 4.27Å; T463-I546 HydrophobicContact CG2-CD1 3.96Å; T463-I546 HydrophobicContact CG2-CG1 4.16Å; T463-I546 WeakPolarHBondContact OG1-CD1 3.08Å; I546-L585 HydrophobicContact CG1-CD1 4.47Å; I546-F587 HydrophobicContact CG2-CD2 3.62Å; I546-F587 HydrophobicContact CG2-CE2 3.44Å; I546-F587 VanDerWaalsContact CG2-CE2 3.44Å
547	V	91.9	Very high	90.9	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126	179.3	65.5	0	0	0	0	112.9	V530 Y545 P551 A570 L573 I584 L585 F587	V530-V547 HydrophobicContact CG2-CG2 3.92Å; Y545-V547 HydrophobicContact CD1-CB 4.28Å; Y545-V547 HydrophobicContact CE1-CB 4.25Å; V547-P551 HydrophobicContact CG2-CB 4.02Å; V547-P551 HydrophobicContact CG2-CG 3.81Å; V547-A570 HydrophobicContact CG1-CB 3.88Å; V547-A570 HydrophobicContact CG2-CB 4.31Å; V547-L573 HydrophobicContact CB-CD2 4.09Å; V547-L573 HydrophobicContact CG1-CD2 4.32Å; V547-L573 HydrophobicContact CG2-CD2 4.17Å; V547-I584 HydrophobicContact CB-CG2 4.46Å; V547-I584 HydrophobicContact CG1-CG2 3.42Å; V547-I584 VanDerWaalsContact CG1-CG2 3.42Å; V547-L585 PolarHBondContact N-O 3.43Å; V547-F587 WeakPolarHBondContact O-CD2 3.37Å; V547-F587 PolarHBondContact O-N 2.81Å
548	G	85.9	Confident	90.5	Very high	14 Å²	14	37.2 Å²	37.2	14%	0.144	20%	0.202	C	C	.	.			trans	-86.1	-175.7	-176.4	0	0	0	0	0	116.5	P551 F587	G548-P551 WeakPolarHBondContact O-CD 3.29Å; G548-F587 VanDerWaalsContact CA-CE2 3.41Å; G548-F587 VanDerWaalsContact N-CD2 3.32Å
549	R	86.4	Confident	90.6	Very high	179 Å²	179	36.8 Å²	36.8	68%	0.675	20%	0.203	S	C	*	.	S	Bend	trans	-72.9	137.2	162.5	-178.2	-179.7	-177.6	-141.1	-2.3	108.9	T566	R549-T566 HydrophobicContact CG-CG2 4.47Å; R549-T566 VanDerWaalsContact NE-CB 3.31Å; R549-T566 PolarHBondContact NE-OG1 3.04Å; R549-T566 PolarHBondContact NH2-OG1 2.98Å
550	D	91.7	Very high	90.5	Very high	42 Å²	42	41.6 Å²	41.6	23%	0.225	23%	0.233	C	C	.	.	S	Bend	trans	49.8	48.2	178.3	-164.2	32.1	0	0	0	113.6	A552 G553 T566	D550-A552 PolarHBondContact O-N 3.01Å; D550-G553 PolarHBondContact O-N 2.92Å; D550-G553 WeakPolarHBondContact OD1-CA 3.28Å; D550-T566 HydrophobicContact CB-CG2 3.95Å; D550-T566 PolarHBondContact N-O 3.42Å
551	P	94.3	Very high	90.6	Very high	21 Å²	21	46.5 Å²	46.5	14%	0.136	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	137.8	-177.2	32.8	-35.4	0	0	0	109.1	G526 V530 V547 G548 G553	G526-P551 CarbonylContact C-O 3.59Å; G526-P551 WeakPolarHBondContact CA-O 3.48Å; V530-P551 HydrophobicContact CB-CB 4.13Å; V530-P551 HydrophobicContact CB-CG 4.02Å; V530-P551 HydrophobicContact CG1-CG 4.29Å; V530-P551 HydrophobicContact CG2-CB 3.63Å; V530-P551 HydrophobicContact CG2-CG 3.75Å; V547-P551 HydrophobicContact CG2-CB 4.02Å; V547-P551 HydrophobicContact CG2-CG 3.81Å; G548-P551 WeakPolarHBondContact O-CD 3.29Å; P551-G553 PolarHBondContact O-N 3.36Å
552	A	96.8	Very high	91	Very high	7 Å²	7	47.9 Å²	47.9	6%	0.058	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	17.2	-173.1	0	0	0	0	0	115.5	M522 Y524 G526 E529 D550	M522-A552 HydrophobicContact CE-CB 3.64Å; Y524-A552 CarbonylContact C-O 3.58Å; Y524-A552 VanDerWaalsContact CA-O 3.23Å; Y524-A552 WeakPolarHBondContact CA-O 3.37Å; G526-A552 PolarHBondContact N-O 2.95Å; E529-A552 HydrophobicContact CB-CB 3.97Å; E529-A552 HydrophobicContact CG-CB 3.87Å; D550-A552 PolarHBondContact O-N 3.01Å
553	G	95.7	Very high	91.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.01	28%	0.278	C	S	.	.			trans	-78.3	164.5	179	0	0	0	0	0	114.3	R449 D550 P551	R449-G553 PolarHBondContact NH1-O 3.43Å; R449-G553 PolarHBondContact NH2-O 3.06Å; D550-G553 PolarHBondContact O-N 2.92Å; D550-G553 WeakPolarHBondContact OD1-CA 3.28Å; P551-G553 PolarHBondContact O-N 3.36Å
554	I	95	Very high	92.2	Very high	18 Å²	18	47.5 Å²	47.5	9%	0.092	27%	0.268	C	S	.	.			trans	-140.6	158.6	173	-169	168.1	0	0	0	108.8	P392 K486 Y524 L563 Y564	P392-I554 HydrophobicContact CG-CD1 4.13Å; K486-I554 HydrophobicContact CD-CD1 3.92Å; Y524-I554 HydrophobicContact CD1-CB 4.33Å; Y524-I554 HydrophobicContact CD1-CD1 4.38Å; Y524-I554 HydrophobicContact CG-CB 4.47Å; Y524-I554 HydrophobicContact CG-CD1 4.24Å; I554-L563 HydrophobicContact CG2-CB 4.09Å; I554-L563 HydrophobicContact CG2-CD2 3.78Å; I554-L563 VanDerWaalsContact O-CB 3.26Å; I554-L563 WeakPolarHBondContact O-CB 3.33Å; I554-L563 PolarHBondContact O-N 3.41Å; I554-Y564 HydrophobicContact CG2-CE2 4.45Å
555	Q	93.8	Very high	92.5	Very high	125 Å²	125	51 Å²	51	58%	0.584	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-66.7	143.9	171.1	-70.2	178.6	-33.2	0	0	110.5	D561	Q555-D561 WeakPolarHBondContact CA-O 3.42Å
556	K	92.8	Very high	92.4	Very high	110 Å²	110	51.8 Å²	51.8	48%	0.478	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-64.8	129.1	173.6	179.6	176.7	-179.2	178.3	0	109.1	G558 S559 D561 L563	K556-G558 PolarHBondContact O-N 2.92Å; K556-S559 PolarHBondContact O-N 2.87Å; K556-D561 PolarHBondContact N-O 2.89Å; K556-L563 HydrophobicContact CB-CB 4.47Å; K556-L563 HydrophobicContact CB-CD1 4.38Å; K556-L563 HydrophobicContact CG-CD1 4.3Å
557	P	89.7	Confident	92.3	Very high	23 Å²	23	54.1 Å²	54.1	15%	0.149	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	124.7	-179.3	-28.4	35.5	0	0	0	113.3	D388 R390 S559	D388-P557 HydrophobicContact CB-CG 4.46Å; R390-P557 HydrophobicContact CB-CB 3.63Å; R390-P557 HydrophobicContact CB-CG 3.99Å; R390-P557 PolarHBondContact NH2-O 2.62Å; P557-S559 VanDerWaalsContact C-N 3.29Å; P557-S559 PolarHBondContact O-N 3.41Å
558	G	87.6	Confident	92.5	Very high	81 Å²	81	58.1 Å²	58.1	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	9.8	-178.5	0	0	0	0	0	115.5	K556	K556-G558 PolarHBondContact O-N 2.92Å
559	S	90.8	Very high	93	Very high	29 Å²	29	57.6 Å²	57.6	20%	0.203	32%	0.317	C	S	.	.	S	Bend	trans	-128.6	149.1	174.3	171	0	0	0	0	111	K556 P557 D561	K556-S559 PolarHBondContact O-N 2.87Å; P557-S559 VanDerWaalsContact C-N 3.29Å; P557-S559 PolarHBondContact O-N 3.41Å; S559-D561 PolarHBondContact O-N 3.48Å; S559-D561 WeakPolarHBondContact OG-CB 3.32Å; S559-D561 VanDerWaalsContact OG-CG 3.28Å; S559-D561 PolarHBondContact OG-N 3.19Å; S559-D561 PolarHBondContact OG-OD2 3.15Å
560	P	85.8	Confident	93.2	Very high	114 Å²	114	50.2 Å²	50.2	74%	0.74	29%	0.294	S	S	*	.	S	Bend	trans	-69.3	-13	168.9	31	-37.4	0	0	0	113.6
561	D	91.5	Very high	93.3	Very high	103 Å²	103	53.8 Å²	53.8	55%	0.551	31%	0.308	S	S	*	.	S	Bend	trans	-75	156.1	-175.6	-56.7	-42.3	0	0	0	112.5	Q555 K556 S559	Q555-D561 WeakPolarHBondContact CA-O 3.42Å; K556-D561 PolarHBondContact N-O 2.89Å; S559-D561 PolarHBondContact O-N 3.48Å; S559-D561 WeakPolarHBondContact OG-CB 3.32Å; S559-D561 VanDerWaalsContact OG-CG 3.28Å; S559-D561 PolarHBondContact OG-N 3.19Å; S559-D561 PolarHBondContact OG-OD2 3.15Å
562	A	93.9	Very high	93.3	Very high	36 Å²	36	54.5 Å²	54.5	30%	0.298	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-67	145.3	167.5	0	0	0	0	0	110.4	Y564 T566	A562-Y564 VanDerWaalsContact C-N 3.29Å; A562-Y564 WeakPolarHBondContact CB-O 3.47Å; A562-T566 HydrophobicContact CB-CG2 3.97Å
563	L	96.9	Very high	93.1	Very high	39 Å²	39	54.3 Å²	54.3	20%	0.204	31%	0.309	C	S	.	.	S	Bend	trans	-66.9	-34.7	174.5	-179	59.9	0	0	0	111.6	T386 I554 K556	T386-L563 HydrophobicContact CG2-CD1 4.38Å; T386-L563 HydrophobicContact CG2-CD2 3.92Å; I554-L563 HydrophobicContact CG2-CB 4.09Å; I554-L563 HydrophobicContact CG2-CD2 3.78Å; I554-L563 VanDerWaalsContact O-CB 3.26Å; I554-L563 WeakPolarHBondContact O-CB 3.33Å; I554-L563 PolarHBondContact O-N 3.41Å; K556-L563 HydrophobicContact CB-CB 4.47Å; K556-L563 HydrophobicContact CB-CD1 4.38Å; K556-L563 HydrophobicContact CG-CD1 4.3Å
564	Y	97.6	Very high	92.7	Very high	29 Å²	29	58.5 Å²	58.5	11%	0.114	34%	0.339	C	S	.	.	S	Bend	trans	-109.9	152.4	179.5	-48.2	-76.5	0	0	0	110.8	F384 Y524 A525 I554 A562 T566	F384-Y564 WeakPolarHBondContact O-CE1 3.18Å; F384-Y564 PolarHBondContact O-OH 3.48Å; Y524-Y564 WeakPolarHBondContact O-CE2 3.45Å; Y524-Y564 PolarHBondContact O-OH 2.59Å; A525-Y564 VanDerWaalsContact CA-OH 3.27Å; A525-Y564 WeakPolarHBondContact CA-OH 3.38Å; I554-Y564 HydrophobicContact CG2-CE2 4.45Å; A562-Y564 VanDerWaalsContact C-N 3.29Å; A562-Y564 WeakPolarHBondContact CB-O 3.47Å; Y564-T566 PolarHBondContact O-N 3.41Å
565	E	96.4	Very high	92.4	Very high	84 Å²	84	64.3 Å²	64.3	39%	0.393	37%	0.367	S	S	.	.			trans	-65.3	127.3	168.1	-163.5	-62.7	123	0	0	108.8	T567 H568	E565-T567 PolarHBondContact O-N 2.76Å; E565-T567 PolarHBondContact OE1-N 3.34Å; E565-T567 VanDerWaalsContact OE2-CA 3.26Å; E565-T567 WeakPolarHBondContact OE2-CA 3.4Å; E565-T567 VanDerWaalsContact OE2-CB 3.25Å; E565-T567 WeakPolarHBondContact OE2-CB 3.44Å; E565-T567 PolarHBondContact OE2-N 3.37Å; E565-T567 PolarHBondContact OE2-OG1 2.91Å; E565-H568 WeakPolarHBondContact O-CB 3.5Å; E565-H568 PolarHBondContact O-N 3.44Å; E565-H568 IonicContact OE2-CD2 3.2Å; E565-H568 PolarHBondContact OE2-CD2 2.76Å; E565-H568 IonicContact OE2-CG 2.75Å; E565-H568 PolarHBondContact OE2-N 2.91Å; E565-H568 VanDerWaalsContact OE2-N 3.15Å; E565-H568 IonicContact OE2-NE2 3.31Å
566	T	92.1	Very high	92.3	Very high	22 Å²	22	58.9 Å²	58.9	14%	0.135	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.7	-162.7	64.1	0	0	0	0	115.4	R549 D550 A562 Y564	R549-T566 HydrophobicContact CG-CG2 4.47Å; R549-T566 VanDerWaalsContact NE-CB 3.31Å; R549-T566 PolarHBondContact NE-OG1 3.04Å; R549-T566 PolarHBondContact NH2-OG1 2.98Å; D550-T566 HydrophobicContact CB-CG2 3.95Å; D550-T566 PolarHBondContact N-O 3.42Å; A562-T566 HydrophobicContact CB-CG2 3.97Å; Y564-T566 PolarHBondContact O-N 3.41Å
567	T	92.3	Very high	91.9	Very high	56 Å²	56	56.5 Å²	56.5	34%	0.344	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-14.6	173.8	75.2	0	0	0	0	113.2	E565 G569 A570 K571	E565-T567 PolarHBondContact O-N 2.76Å; E565-T567 PolarHBondContact OE1-N 3.34Å; E565-T567 VanDerWaalsContact OE2-CA 3.26Å; E565-T567 WeakPolarHBondContact OE2-CA 3.4Å; E565-T567 VanDerWaalsContact OE2-CB 3.25Å; E565-T567 WeakPolarHBondContact OE2-CB 3.44Å; E565-T567 PolarHBondContact OE2-N 3.37Å; E565-T567 PolarHBondContact OE2-OG1 2.91Å; T567-G569 VanDerWaalsContact C-N 3.31Å; T567-G569 PolarHBondContact O-N 3.49Å; T567-A570 PolarHBondContact O-N 3.22Å; T567-K571 WeakPolarHBondContact O-CG 3.45Å; T567-K571 PolarHBondContact O-N 2.96Å; T567-K571 VanDerWaalsContact OG1-CE 3.31Å; T567-K571 WeakPolarHBondContact OG1-CE 3.22Å; T567-K571 PolarHBondContact OG1-NZ 2.98Å
568	H	96	Very high	91.4	Very high	88 Å²	88	57.1 Å²	57.1	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-36.9	-174.3	-76.8	-168.9	0	0	0	112.8	P527 E565 A570 K571 V572	P527-H568 HydrophobicContact CB-CB 4.41Å; P527-H568 HydrophobicContact CG-CB 3.6Å; E565-H568 WeakPolarHBondContact O-CB 3.5Å; E565-H568 PolarHBondContact O-N 3.44Å; E565-H568 IonicContact OE2-CD2 3.2Å; E565-H568 PolarHBondContact OE2-CD2 2.76Å; E565-H568 IonicContact OE2-CG 2.75Å; E565-H568 PolarHBondContact OE2-N 2.91Å; E565-H568 VanDerWaalsContact OE2-N 3.15Å; E565-H568 IonicContact OE2-NE2 3.31Å; H568-A570 PolarHBondContact O-N 3.17Å; H568-K571 PolarHBondContact O-N 3.27Å; H568-V572 VanDerWaalsContact O-CB 3.32Å; H568-V572 WeakPolarHBondContact O-CB 3.44Å; H568-V572 VanDerWaalsContact O-CG2 3.27Å; H568-V572 WeakPolarHBondContact O-CG2 3.42Å; H568-V572 PolarHBondContact O-N 3.47Å
569	G	94.9	Very high	91.2	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-58.2	-49.1	179.9	0	0	0	0	0	112.9	T567 L573	T567-G569 VanDerWaalsContact C-N 3.31Å; T567-G569 PolarHBondContact O-N 3.49Å; G569-L573 VanDerWaalsContact O-CB 3.28Å; G569-L573 WeakPolarHBondContact O-CB 3.17Å; G569-L573 PolarHBondContact O-N 3.26Å
570	A	92	Very high	90.2	Very high	24 Å²	24	58 Å²	58	20%	0.198	34%	0.343	C	S	.	.	H	α-helix	trans	-67.2	-40.7	177.7	0	0	0	0	0	112.5	V547 T567 H568 L573 S574	V547-A570 HydrophobicContact CG1-CB 3.88Å; V547-A570 HydrophobicContact CG2-CB 4.31Å; T567-A570 PolarHBondContact O-N 3.22Å; H568-A570 PolarHBondContact O-N 3.17Å; A570-L573 PolarHBondContact O-N 2.91Å; A570-S574 PolarHBondContact O-N 3.24Å; A570-S574 VanDerWaalsContact O-N 3.09Å
571	K	92.9	Very high	89.3	Confident	118 Å²	118	55.8 Å²	55.8	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-50.7	177.9	-73.6	171.6	175.5	165.3	0	111.8	T567 H568 L573 S574 M575	T567-K571 WeakPolarHBondContact O-CG 3.45Å; T567-K571 PolarHBondContact O-N 2.96Å; T567-K571 VanDerWaalsContact OG1-CE 3.31Å; T567-K571 WeakPolarHBondContact OG1-CE 3.22Å; T567-K571 PolarHBondContact OG1-NZ 2.98Å; H568-K571 PolarHBondContact O-N 3.27Å; K571-L573 VanDerWaalsContact C-N 3.32Å; K571-L573 PolarHBondContact O-N 2.94Å; K571-S574 PolarHBondContact O-N 3.3Å; K571-S574 PolarHBondContact O-OG 3.44Å; K571-M575 WeakPolarHBondContact O-CG 3.37Å; K571-M575 PolarHBondContact O-N 3.45Å
572	V	95.1	Very high	88.7	Confident	35 Å²	35	51.5 Å²	51.5	21%	0.212	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-46.8	177.7	169.8	0	0	0	0	110.2	P527 Q531 H568 S574 M575 A576	P527-V572 HydrophobicContact CB-CB 4.25Å; P527-V572 HydrophobicContact CB-CG2 4.01Å; Q531-V572 HydrophobicContact CG-CG1 4.17Å; H568-V572 VanDerWaalsContact O-CB 3.32Å; H568-V572 WeakPolarHBondContact O-CB 3.44Å; H568-V572 VanDerWaalsContact O-CG2 3.27Å; H568-V572 WeakPolarHBondContact O-CG2 3.42Å; H568-V572 PolarHBondContact O-N 3.47Å; V572-S574 VanDerWaalsContact C-N 3.27Å; V572-S574 PolarHBondContact O-N 2.99Å; V572-M575 HydrophobicContact CB-CE 4.44Å; V572-M575 HydrophobicContact CG2-CE 3.96Å; V572-M575 CarbonylContact O-C 3.53Å; V572-M575 WeakPolarHBondContact O-CG 3.4Å; V572-M575 PolarHBondContact O-N 3.07Å; V572-M575 VanDerWaalsContact O-N 3.1Å; V572-A576 WeakPolarHBondContact O-CB 3.38Å; V572-A576 PolarHBondContact O-N 3.21Å
573	L	92.4	Very high	88.3	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-60.8	-35.3	-179.5	-161	67.8	0	0	0	113.1	V530 Q531 A534 Y545 V547 G569 A570 K571 M575 L579 I584	V530-L573 HydrophobicContact CG2-CD2 4.32Å; Q531-L573 HydrophobicContact CB-CD1 4.44Å; Q531-L573 HydrophobicContact CG-CD1 4.07Å; A534-L573 HydrophobicContact CB-CD1 3.64Å; A534-L573 HydrophobicContact CB-CD2 4.12Å; A534-L573 HydrophobicContact CB-CG 4.41Å; Y545-L573 HydrophobicContact CD1-CD2 3.7Å; Y545-L573 HydrophobicContact CE1-CD2 3.9Å; V547-L573 HydrophobicContact CB-CD2 4.09Å; V547-L573 HydrophobicContact CG1-CD2 4.32Å; V547-L573 HydrophobicContact CG2-CD2 4.17Å; G569-L573 VanDerWaalsContact O-CB 3.28Å; G569-L573 WeakPolarHBondContact O-CB 3.17Å; G569-L573 PolarHBondContact O-N 3.26Å; A570-L573 PolarHBondContact O-N 2.91Å; K571-L573 VanDerWaalsContact C-N 3.32Å; K571-L573 PolarHBondContact O-N 2.94Å; L573-M575 VanDerWaalsContact C-N 3.25Å; L573-M575 PolarHBondContact O-N 3.47Å; L573-L579 HydrophobicContact CD1-CD1 3.48Å; L573-L579 VanDerWaalsContact CD1-CD1 3.48Å; L573-L579 HydrophobicContact CG-CD1 4.47Å; L573-I584 HydrophobicContact CD2-CD1 3.64Å; L573-I584 HydrophobicContact CD2-CG1 4.28Å; L573-I584 HydrophobicContact CD2-CG2 4.04Å; L573-I584 HydrophobicContact CG-CD1 3.73Å; L573-I584 HydrophobicContact CG-CG1 4.12Å; L573-I584 HydrophobicContact CG-CG2 4.48Å
574	S	87.9	Confident	87.8	Confident	89 Å²	89	55.2 Å²	55.2	62%	0.622	32%	0.322	S	S	*	.	H	α-helix	trans	-70.6	-16.3	178.5	71.6	0	0	0	0	115	A570 K571 V572	A570-S574 PolarHBondContact O-N 3.24Å; A570-S574 VanDerWaalsContact O-N 3.09Å; K571-S574 PolarHBondContact O-N 3.3Å; K571-S574 PolarHBondContact O-OG 3.44Å; V572-S574 VanDerWaalsContact C-N 3.27Å; V572-S574 PolarHBondContact O-N 2.99Å
575	M	88.8	Confident	87.2	Confident	140 Å²	140	56.1 Å²	56.1	69%	0.69	33%	0.328	S	S	*	.	H	α-helix	trans	-121.5	2.3	-179.1	65.9	-174.5	177.3	0	0	113	K571 V572 L573	K571-M575 WeakPolarHBondContact O-CG 3.37Å; K571-M575 PolarHBondContact O-N 3.45Å; V572-M575 HydrophobicContact CB-CE 4.44Å; V572-M575 HydrophobicContact CG2-CE 3.96Å; V572-M575 CarbonylContact O-C 3.53Å; V572-M575 WeakPolarHBondContact O-CG 3.4Å; V572-M575 PolarHBondContact O-N 3.07Å; V572-M575 VanDerWaalsContact O-N 3.1Å; L573-M575 VanDerWaalsContact C-N 3.25Å; L573-M575 PolarHBondContact O-N 3.47Å
576	A	90.5	Very high	86.3	Confident	12 Å²	12	56.5 Å²	56.5	10%	0.099	34%	0.338	C	S	.	.			trans	-70.3	126.4	-175.9	0	0	0	0	0	110.4	Q531 V572 L579	Q531-A576 HydrophobicContact CG-CB 4.15Å; V572-A576 WeakPolarHBondContact O-CB 3.38Å; V572-A576 PolarHBondContact O-N 3.21Å; A576-L579 HydrophobicContact CB-CD1 3.87Å; A576-L579 HydrophobicContact CB-CG 4.35Å
577	P	84.8	Confident	85.5	Confident	60 Å²	60	58.3 Å²	58.3	39%	0.39	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	151.6	177.4	30.8	-36.5	0	0	0	110.6	Q302 N331 L579	Q302-P577 HydrophobicContact CG-CB 4.49Å; Q302-P577 HydrophobicContact CG-CG 3.83Å; Q302-P577 VanDerWaalsContact OE1-CG 3.23Å; N331-P577 WeakPolarHBondContact CB-O 3.3Å; N331-P577 PolarHBondContact ND2-O 3.26Å; P577-L579 PolarHBondContact O-N 2.8Å
578	G	79.4	Confident	84.7	Confident	36 Å²	36	61.8 Å²	61.8	37%	0.371	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	2.4	-176.5	0	0	0	0	0	115.3
579	L	83.8	Confident	84	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	36%	0.356	C	S	.	.			trans	-114	13.3	176.6	-59.7	-174.9	0	0	0	113.9	N331 Q531 A534 R535 I538 L573 A576 P577 A581 L582	N331-L579 HydrophobicContact CB-CD2 3.64Å; N331-L579 HydrophobicContact CB-CG 3.82Å; Q531-L579 HydrophobicContact CB-CD1 4.43Å; Q531-L579 HydrophobicContact CG-CD1 4.45Å; A534-L579 HydrophobicContact CB-CD1 4.44Å; R535-L579 HydrophobicContact CB-CD2 3.57Å; I538-L579 HydrophobicContact CD1-CD2 3.66Å; L573-L579 HydrophobicContact CD1-CD1 3.48Å; L573-L579 VanDerWaalsContact CD1-CD1 3.48Å; L573-L579 HydrophobicContact CG-CD1 4.47Å; A576-L579 HydrophobicContact CB-CD1 3.87Å; A576-L579 HydrophobicContact CB-CG 4.35Å; P577-L579 PolarHBondContact O-N 2.8Å; L579-A581 PolarHBondContact O-N 2.8Å; L579-A581 VanDerWaalsContact O-N 3.09Å; L579-L582 HydrophobicContact CD2-CD1 4.34Å; L579-L582 PolarHBondContact O-N 2.72Å
580	S	69.3	Low	83.7	Confident	123 Å²	123	62.4 Å²	62.4	86%	0.86	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.3	-179	55	0	0	0	0	114.1	L582	S580-L582 VanDerWaalsContact C-N 3.29Å
581	A	67	Low	83.6	Confident	66 Å²	66	61.3 Å²	61.3	55%	0.545	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.6	174.4	0	0	0	0	0	113.8	L579	L579-A581 PolarHBondContact O-N 2.8Å; L579-A581 VanDerWaalsContact O-N 3.09Å
582	L	79.6	Confident	83.5	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.068	33%	0.332	C	S	.	.	S	Bend	trans	-95.5	127.2	179.7	-71	176.9	0	0	0	112.3	A534 I538 I542 Q543 L579 S580 I584	A534-L582 HydrophobicContact CB-CD1 3.78Å; I538-L582 HydrophobicContact CD1-CD1 3.82Å; I538-L582 HydrophobicContact CD1-CG 3.81Å; I538-L582 HydrophobicContact CG1-CD1 3.71Å; I538-L582 HydrophobicContact CG1-CD2 3.81Å; I538-L582 HydrophobicContact CG1-CG 3.64Å; I542-L582 WeakPolarHBondContact O-CD2 3.44Å; Q543-L582 CarbonylContact O-C 3.59Å; Q543-L582 WeakPolarHBondContact O-CA 3.27Å; L579-L582 HydrophobicContact CD2-CD1 4.34Å; L579-L582 PolarHBondContact O-N 2.72Å; S580-L582 VanDerWaalsContact C-N 3.29Å; L582-I584 HydrophobicContact CB-CD1 3.79Å; L582-I584 HydrophobicContact CD1-CD1 4.44Å; L582-I584 PolarHBondContact O-N 2.96Å
583	H	85	Confident	83.5	Confident	117 Å²	117	55 Å²	55	54%	0.542	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	98.8	165.1	-65.9	-102.7	0	0	0	109	Q543 H544 Y545 L585	Q543-H583 PolarHBondContact O-N 3.12Å; H544-H583 WeakPolarHBondContact CA-O 3.18Å; H544-H583 AromaticContact CE1-CG 3.9Å; H544-H583 VanDerWaalsContact ND1-CB 3.33Å; H544-H583 WeakPolarHBondContact ND1-CB 3.29Å; H544-H583 AromaticContact ND1-CG 3.82Å; Y545-H583 PolarHBondContact N-O 3.19Å; H583-L585 PolarHBondContact O-N 3.15Å
584	I	85.8	Confident	83.5	Confident	37 Å²	37	59.8 Å²	59.8	19%	0.19	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.4	178.5	-53.4	-50.7	0	0	0	109.8	V547 L573 L582 P586	V547-I584 HydrophobicContact CB-CG2 4.46Å; V547-I584 HydrophobicContact CG1-CG2 3.42Å; V547-I584 VanDerWaalsContact CG1-CG2 3.42Å; L573-I584 HydrophobicContact CD2-CD1 3.64Å; L573-I584 HydrophobicContact CD2-CG1 4.28Å; L573-I584 HydrophobicContact CD2-CG2 4.04Å; L573-I584 HydrophobicContact CG-CD1 3.73Å; L573-I584 HydrophobicContact CG-CG1 4.12Å; L573-I584 HydrophobicContact CG-CG2 4.48Å; L582-I584 HydrophobicContact CB-CD1 3.79Å; L582-I584 HydrophobicContact CD1-CD1 4.44Å; L582-I584 PolarHBondContact O-N 2.96Å; I584-P586 WeakPolarHBondContact O-CD 3.29Å
585	L	85.6	Confident	83.7	Confident	47 Å²	47	59.9 Å²	59.9	25%	0.246	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	99.1	-179.2	-61.5	177.8	0	0	0	109.2	T463 H544 Y545 I546 V547 H583	T463-L585 HydrophobicContact CG2-CD1 3.38Å; H544-L585 HydrophobicContact CB-CD1 4Å; Y545-L585 PolarHBondContact O-N 3.02Å; I546-L585 HydrophobicContact CG1-CD1 4.47Å; V547-L585 PolarHBondContact N-O 3.43Å; H583-L585 PolarHBondContact O-N 3.15Å
586	P	77.9	Confident	83.8	Confident	93 Å²	93	55.5 Å²	55.5	60%	0.604	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.1	-177.4	28.2	-34.3	0	0	0	111.2	I584	I584-P586 WeakPolarHBondContact O-CD 3.29Å
587	F	73.8	Confident	84	Confident	60 Å²	60	61.4 Å²	61.4	26%	0.263	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-62	137.9	173.2	-97.3	-135.4	0	0	0	112.2	F446 L459 I546 V547 G548	F446-F587 AromaticContact CE2-CE2 3.74Å; F446-F587 HydrophobicContact CE2-CE2 3.74Å; F446-F587 AromaticContact CE2-CZ 3.53Å; F446-F587 HydrophobicContact CE2-CZ 3.53Å; F446-F587 HydrophobicContact CZ-CE2 4.47Å; F446-F587 AromaticContact CZ-CZ 3.86Å; F446-F587 HydrophobicContact CZ-CZ 3.86Å; L459-F587 HydrophobicContact CD1-CD1 3.31Å; L459-F587 HydrophobicContact CD1-CD2 4.45Å; L459-F587 HydrophobicContact CD1-CE1 3.12Å; L459-F587 HydrophobicContact CD1-CE2 4.33Å; L459-F587 HydrophobicContact CD1-CG 4.03Å; L459-F587 HydrophobicContact CD1-CZ 3.71Å; L459-F587 HydrophobicContact CD2-CB 4.15Å; L459-F587 HydrophobicContact CD2-CD1 3.74Å; L459-F587 HydrophobicContact CD2-CD2 4.03Å; L459-F587 HydrophobicContact CD2-CE1 4.29Å; L459-F587 HydrophobicContact CD2-CG 3.63Å; L459-F587 HydrophobicContact CG-CD1 4.17Å; L459-F587 HydrophobicContact CG-CE1 4.29Å; L459-F587 HydrophobicContact CG-CG 4.48Å; I546-F587 HydrophobicContact CG2-CD2 3.62Å; I546-F587 HydrophobicContact CG2-CE2 3.44Å; I546-F587 VanDerWaalsContact CG2-CE2 3.44Å; V547-F587 WeakPolarHBondContact O-CD2 3.37Å; V547-F587 PolarHBondContact O-N 2.81Å; G548-F587 VanDerWaalsContact CA-CE2 3.41Å; G548-F587 VanDerWaalsContact N-CD2 3.32Å
588	R	76.2	Confident	84.3	Confident	128 Å²	128	64.2 Å²	64.2	48%	0.483	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-86.1	137.4	151.4	-65.6	176.8	66	-175.6	2.9	108.3	A590 F601	R588-A590 PolarHBondContact O-N 3.48Å; R588-F601 HydrophobicContact CB-CD1 3.4Å; R588-F601 VanDerWaalsContact CB-CD1 3.4Å; R588-F601 HydrophobicContact CB-CE1 3.65Å; R588-F601 HydrophobicContact CB-CG 4.18Å; R588-F601 HydrophobicContact CG-CD1 4.41Å; R588-F601 HydrophobicContact CG-CE1 4.49Å
589	V	81.6	Confident	84.9	Confident	84 Å²	84	63.3 Å²	63.3	51%	0.509	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-61.5	122.9	176.5	-179.9	0	0	0	0	108.5	F601 F602	V589-F601 CarbonylContact O-C 3.57Å; V589-F601 WeakPolarHBondContact O-CA 3.44Å; V589-F602 HydrophobicContact CB-CB 4.02Å; V589-F602 HydrophobicContact CG1-CB 3.94Å; V589-F602 HydrophobicContact CG1-CG 4.45Å; V589-F602 WeakPolarHBondContact O-CB 3.28Å; V589-F602 PolarHBondContact O-N 3.36Å
590	A	87.3	Confident	85.3	Confident	20 Å²	20	63.9 Å²	63.9	17%	0.165	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.7	173.7	0	0	0	0	0	109.5	L458 R588 M599 S600	L458-A590 HydrophobicContact CD2-CB 4.33Å; R588-A590 PolarHBondContact O-N 3.48Å; A590-M599 HydrophobicContact CB-CE 4.42Å; A590-S600 WeakPolarHBondContact CA-O 3.46Å
591	A	89.9	Confident	86.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	163.8	179.7	0	0	0	0	0	110	D593 M599 S600 F602 F610 N612	A591-D593 PolarHBondContact O-N 3.29Å; A591-M599 VanDerWaalsContact C-CE 3.41Å; A591-S600 PolarHBondContact N-O 3.19Å; A591-S600 PolarHBondContact O-N 3.3Å; A591-S600 VanDerWaalsContact O-O 3.12Å; A591-F602 HydrophobicContact CB-CD2 4.28Å; A591-F610 HydrophobicContact CB-CB 4.06Å; A591-F610 HydrophobicContact CB-CD1 3.79Å; A591-F610 HydrophobicContact CB-CG 4.33Å; A591-N612 WeakPolarHBondContact CB-OD1 3.31Å
592	Y	92.4	Very high	87.4	Confident	17 Å²	17	59.7 Å²	59.7	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.5	179.2	-176.5	-102.8	0	0	0	109.5	K594 K597 M599 F610 E611 P629 E630 F632	Y592-K594 HydrophobicContact CD1-CG 4.26Å; Y592-K594 HydrophobicContact CE1-CG 4.42Å; Y592-K594 PolarHBondContact O-N 3.01Å; Y592-K597 WeakPolarHBondContact OH-CA 3.28Å; Y592-M599 HydrophobicContact CD2-SD 4.09Å; Y592-M599 HydrophobicContact CG-SD 4.47Å; Y592-F610 CarbonylContact O-C 3.41Å; Y592-F610 VanDerWaalsContact O-CA 3.32Å; Y592-F610 WeakPolarHBondContact O-CA 3.26Å; Y592-E611 WeakPolarHBondContact CB-O 3.25Å; Y592-E611 PolarHBondContact N-O 3.18Å; Y592-E611 PolarHBondContact O-N 3.16Å; Y592-P629 HydrophobicContact CD1-CB 4.19Å; Y592-P629 HydrophobicContact CD1-CG 4.47Å; Y592-P629 HydrophobicContact CD2-CB 4.47Å; Y592-P629 HydrophobicContact CE1-CB 3.56Å; Y592-P629 HydrophobicContact CE1-CG 4.2Å; Y592-P629 HydrophobicContact CE2-CB 3.9Å; Y592-E630 WeakPolarHBondContact CE2-O 3.47Å; Y592-E630 PolarHBondContact OH-O 3Å; Y592-F632 HydrophobicContact CD2-CB 4.42Å
593	D	94.2	Very high	87.8	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.3	177.7	-172.5	-29.6	0	0	0	109	A591 T595 A596 K597 K598 R606 F610	A591-D593 PolarHBondContact O-N 3.29Å; D593-T595 PolarHBondContact O-N 3.28Å; D593-T595 WeakPolarHBondContact OD1-CB 3.37Å; D593-T595 PolarHBondContact OD1-N 3.47Å; D593-T595 PolarHBondContact OD1-OG1 3.04Å; D593-A596 HydrophobicContact CB-CB 4.08Å; D593-A596 PolarHBondContact O-N 2.86Å; D593-A596 PolarHBondContact OD1-N 3.4Å; D593-A596 VanDerWaalsContact OD1-N 3.12Å; D593-K597 WeakPolarHBondContact O-CA 3.49Å; D593-K597 PolarHBondContact O-N 2.85Å; D593-K598 WeakPolarHBondContact CB-O 3.43Å; D593-K598 PolarHBondContact N-O 2.95Å; D593-K598 PolarHBondContact O-N 3.08Å; D593-R606 IonicContact OD1-NH1 3.47Å; D593-R606 IonicContact OD2-CZ 2.71Å; D593-R606 IonicContact OD2-NH1 3.23Å; D593-R606 PolarHBondContact OD2-NH1 2.81Å; D593-R606 IonicContact OD2-NH2 3.3Å; D593-R606 PolarHBondContact OD2-NH2 2.98Å; D593-F610 HydrophobicContact CB-CD1 4.24Å; D593-F610 HydrophobicContact CB-CE1 4.05Å
594	K	92.9	Very high	88	Confident	102 Å²	102	61.1 Å²	61.1	44%	0.443	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.3	-177.3	-65.3	178.9	-67	-178.2	0	112.3	Y592 E608 D609 E611	Y592-K594 HydrophobicContact CD1-CG 4.26Å; Y592-K594 HydrophobicContact CE1-CG 4.42Å; Y592-K594 PolarHBondContact O-N 3.01Å; K594-E608 WeakPolarHBondContact CE-O 3.2Å; K594-E608 PolarHBondContact NZ-O 3.32Å; K594-D609 WeakPolarHBondContact CB-O 3.24Å; K594-D609 WeakPolarHBondContact CE-O 3.46Å; K594-D609 WeakPolarHBondContact CG-O 3.37Å; K594-D609 PolarHBondContact N-O 3.09Å; K594-E611 HydrophobicContact CD-CB 4.38Å; K594-E611 HydrophobicContact CG-CB 4.34Å
595	T	92.1	Very high	88.3	Confident	92 Å²	92	64.1 Å²	64.1	56%	0.564	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-44.7	179.6	68.3	0	0	0	0	110.9	D593 D609	D593-T595 PolarHBondContact O-N 3.28Å; D593-T595 WeakPolarHBondContact OD1-CB 3.37Å; D593-T595 PolarHBondContact OD1-N 3.47Å; D593-T595 PolarHBondContact OD1-OG1 3.04Å; T595-D609 HydrophobicContact CG2-CB 3.96Å
596	A	91.4	Very high	88.7	Confident	47 Å²	47	65.4 Å²	65.4	39%	0.388	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.9	-179.4	0	0	0	0	0	113.7	D593 K598	D593-A596 HydrophobicContact CB-CB 4.08Å; D593-A596 PolarHBondContact O-N 2.86Å; D593-A596 PolarHBondContact OD1-N 3.4Å; D593-A596 VanDerWaalsContact OD1-N 3.12Å; A596-K598 VanDerWaalsContact C-N 3.28Å; A596-K598 HydrophobicContact CB-CD 4.46Å; A596-K598 HydrophobicContact CB-CG 3.94Å; A596-K598 PolarHBondContact O-N 2.51Å
597	K	92.9	Very high	89.3	Confident	137 Å²	137	66.6 Å²	66.6	60%	0.596	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	43.5	-176.3	-60	-176.9	177.6	-176.4	0	113.4	Y592 D593	Y592-K597 WeakPolarHBondContact OH-CA 3.28Å; D593-K597 WeakPolarHBondContact O-CA 3.49Å; D593-K597 PolarHBondContact O-N 2.85Å
598	K	92.8	Very high	90.3	Very high	119 Å²	119	71.3 Å²	71.3	52%	0.517	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	165.4	-180	67.1	-177.9	-177.8	-179.9	0	111.3	D593 A596 S600	D593-K598 WeakPolarHBondContact CB-O 3.43Å; D593-K598 PolarHBondContact N-O 2.95Å; D593-K598 PolarHBondContact O-N 3.08Å; A596-K598 VanDerWaalsContact C-N 3.28Å; A596-K598 HydrophobicContact CB-CD 4.46Å; A596-K598 HydrophobicContact CB-CG 3.94Å; A596-K598 PolarHBondContact O-N 2.51Å; K598-S600 PolarHBondContact O-N 2.67Å
599	M	92.4	Very high	91.1	Very high	17 Å²	17	67.7 Å²	67.7	8%	0.084	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	129.7	168.3	-63.8	-61	-59.7	0	0	110.4	N454 A590 A591 Y592 F632	N454-M599 HydrophobicContact CB-CB 4.12Å; N454-M599 HydrophobicContact CB-CG 3.64Å; A590-M599 HydrophobicContact CB-CE 4.42Å; A591-M599 VanDerWaalsContact C-CE 3.41Å; Y592-M599 HydrophobicContact CD2-SD 4.09Å; Y592-M599 HydrophobicContact CG-SD 4.47Å; M599-F632 HydrophobicContact SD-CD2 3.78Å; M599-F632 HydrophobicContact SD-CE2 4.3Å
600	S	91.9	Very high	91.6	Very high	17 Å²	17	64.6 Å²	64.6	12%	0.119	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	160.7	179.3	-66.1	0	0	0	0	110.3	A590 A591 K598 F602	A590-S600 WeakPolarHBondContact CA-O 3.46Å; A591-S600 PolarHBondContact N-O 3.19Å; A591-S600 PolarHBondContact O-N 3.3Å; A591-S600 VanDerWaalsContact O-O 3.12Å; K598-S600 PolarHBondContact O-N 2.67Å; S600-F602 PolarHBondContact O-N 2.79Å
601	F	90.5	Very high	91.7	Very high	33 Å²	33	66.2 Å²	66.2	15%	0.145	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.7	169.6	-64.3	-58.5	0	0	0	110.3	L458 L459 D462 R588 V589 F610	L458-F601 HydrophobicContact CD1-CE2 4.45Å; L458-F601 HydrophobicContact CD2-CD1 4.18Å; L458-F601 HydrophobicContact CD2-CD2 4.37Å; L458-F601 HydrophobicContact CD2-CE1 4.09Å; L458-F601 HydrophobicContact CD2-CE2 4.3Å; L458-F601 HydrophobicContact CD2-CG 4.32Å; L458-F601 HydrophobicContact CD2-CZ 4.16Å; L458-F601 HydrophobicContact CG-CE1 4.2Å; L458-F601 HydrophobicContact CG-CE2 4.26Å; L458-F601 HydrophobicContact CG-CZ 3.94Å; L459-F601 HydrophobicContact CD2-CE1 4.18Å; L459-F601 HydrophobicContact CG-CE1 4.39Å; D462-F601 HydrophobicContact CB-CE2 4.12Å; D462-F601 HydrophobicContact CB-CZ 3.68Å; D462-F601 WeakPolarHBondContact OD1-CE2 3.41Å; R588-F601 HydrophobicContact CB-CD1 3.4Å; R588-F601 VanDerWaalsContact CB-CD1 3.4Å; R588-F601 HydrophobicContact CB-CE1 3.65Å; R588-F601 HydrophobicContact CB-CG 4.18Å; R588-F601 HydrophobicContact CG-CD1 4.41Å; R588-F601 HydrophobicContact CG-CE1 4.49Å; V589-F601 CarbonylContact O-C 3.57Å; V589-F601 WeakPolarHBondContact O-CA 3.44Å; F601-F610 WeakPolarHBondContact O-CE1 3.32Å; F601-F610 VanDerWaalsContact O-CZ 3.27Å; F601-F610 WeakPolarHBondContact O-CZ 3.48Å
602	F	88.2	Confident	91.4	Very high	68 Å²	68	71.7 Å²	71.7	30%	0.298	36%	0.364	S	S	.	.			trans	-61.5	133.3	-177.9	-176.2	-101.6	0	0	0	111	V589 A591 S600 T604 K607 F610	V589-F602 HydrophobicContact CB-CB 4.02Å; V589-F602 HydrophobicContact CG1-CB 3.94Å; V589-F602 HydrophobicContact CG1-CG 4.45Å; V589-F602 WeakPolarHBondContact O-CB 3.28Å; V589-F602 PolarHBondContact O-N 3.36Å; A591-F602 HydrophobicContact CB-CD2 4.28Å; S600-F602 PolarHBondContact O-N 2.79Å; F602-T604 HydrophobicContact CD1-CG2 4.33Å; F602-T604 HydrophobicContact CE1-CG2 3.91Å; F602-K607 HydrophobicContact CE1-CG 4.28Å; F602-K607 HydrophobicContact CE2-CB 4.48Å; F602-K607 HydrophobicContact CE2-CG 4.49Å; F602-K607 HydrophobicContact CZ-CB 4.07Å; F602-K607 HydrophobicContact CZ-CD 4.19Å; F602-K607 HydrophobicContact CZ-CG 3.69Å; F602-F610 HydrophobicContact CD2-CB 3.77Å; F602-F610 HydrophobicContact CD2-CD1 4.2Å; F602-F610 AromaticContact CD2-CD2 3.94Å; F602-F610 HydrophobicContact CD2-CD2 3.94Å; F602-F610 AromaticContact CD2-CG 3.72Å; F602-F610 HydrophobicContact CD2-CG 3.72Å; F602-F610 HydrophobicContact CE2-CB 3.85Å; F602-F610 HydrophobicContact CE2-CD2 4.19Å; F602-F610 HydrophobicContact CE2-CG 4.15Å
603	D	89	Confident	91	Very high	60 Å²	60	72 Å²	72	32%	0.321	37%	0.366	S	S	.	.			trans	-120.6	118.3	179.6	179.6	-9.8	0	0	0	109.6	S605 R606 K607 F610	D603-S605 PolarHBondContact O-N 3.48Å; D603-S605 WeakPolarHBondContact OD1-CB 3.32Å; D603-S605 PolarHBondContact OD1-N 3.46Å; D603-S605 PolarHBondContact OD1-OG 2.98Å; D603-S605 PolarHBondContact OD2-OG 3.34Å; D603-R606 HydrophobicContact CB-CG 3.91Å; D603-R606 CarbonylContact O-C 3.6Å; D603-R606 PolarHBondContact O-N 2.86Å; D603-R606 IonicContact OD2-NE 3.34Å; D603-R606 PolarHBondContact OD2-NE 2.95Å; D603-K607 PolarHBondContact O-N 3.32Å; D603-F610 HydrophobicContact CB-CE2 3.82Å; D603-F610 HydrophobicContact CB-CZ 4.05Å; D603-F610 VanDerWaalsContact N-CE2 3.34Å
604	T	89	Confident	90.3	Very high	101 Å²	101	74.9 Å²	74.9	62%	0.62	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.9	-177	48.6	0	0	0	0	113.8	F602 K607	F602-T604 HydrophobicContact CD1-CG2 4.33Å; F602-T604 HydrophobicContact CE1-CG2 3.91Å; T604-K607 VanDerWaalsContact O-CE 3.28Å; T604-K607 WeakPolarHBondContact O-CE 3.29Å; T604-K607 VanDerWaalsContact O-CG 3.31Å; T604-K607 WeakPolarHBondContact O-CG 3.33Å
605	S	93.1	Very high	89.6	Confident	99 Å²	99	71.8 Å²	71.8	69%	0.692	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-22.2	177.7	69.1	0	0	0	0	113.1	D603	D603-S605 PolarHBondContact O-N 3.48Å; D603-S605 WeakPolarHBondContact OD1-CB 3.32Å; D603-S605 PolarHBondContact OD1-N 3.46Å; D603-S605 PolarHBondContact OD1-OG 2.98Å; D603-S605 PolarHBondContact OD2-OG 3.34Å
606	R	93.3	Very high	89	Confident	74 Å²	74	71.6 Å²	71.6	28%	0.279	38%	0.383	S	S	.	.	S	Bend	trans	-133.9	43.4	-175.2	63.7	-174.7	-176.6	92.2	-5.9	112.2	D593 D603 E608 D609 F610	D593-R606 IonicContact OD1-NH1 3.47Å; D593-R606 IonicContact OD2-CZ 2.71Å; D593-R606 IonicContact OD2-NH1 3.23Å; D593-R606 PolarHBondContact OD2-NH1 2.81Å; D593-R606 IonicContact OD2-NH2 3.3Å; D593-R606 PolarHBondContact OD2-NH2 2.98Å; D603-R606 HydrophobicContact CB-CG 3.91Å; D603-R606 CarbonylContact O-C 3.6Å; D603-R606 PolarHBondContact O-N 2.86Å; D603-R606 IonicContact OD2-NE 3.34Å; D603-R606 PolarHBondContact OD2-NE 2.95Å; R606-E608 PolarHBondContact O-N 3.46Å; R606-E608 VanDerWaalsContact O-N 3.1Å; R606-D609 WeakPolarHBondContact CB-OD2 3.25Å; R606-D609 IonicContact NH1-OD2 2.91Å; R606-D609 WeakPolarHBondContact O-CB 3.13Å; R606-D609 PolarHBondContact O-N 3.4Å; R606-F610 HydrophobicContact CG-CE2 3.85Å; R606-F610 VanDerWaalsContact CZ-CE2 3.47Å; R606-F610 VanDerWaalsContact NH2-CZ 3.25Å; R606-F610 WeakPolarHBondContact O-CD2 3.46Å
607	K	91.2	Very high	88.7	Confident	118 Å²	118	73.8 Å²	73.8	51%	0.513	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-53.1	-36	-173.6	-60	-177.1	-179	174	0	113.6	F602 D603 T604 D609 F610	F602-K607 HydrophobicContact CE1-CG 4.28Å; F602-K607 HydrophobicContact CE2-CB 4.48Å; F602-K607 HydrophobicContact CE2-CG 4.49Å; F602-K607 HydrophobicContact CZ-CB 4.07Å; F602-K607 HydrophobicContact CZ-CD 4.19Å; F602-K607 HydrophobicContact CZ-CG 3.69Å; D603-K607 PolarHBondContact O-N 3.32Å; T604-K607 VanDerWaalsContact O-CE 3.28Å; T604-K607 WeakPolarHBondContact O-CE 3.29Å; T604-K607 VanDerWaalsContact O-CG 3.31Å; T604-K607 WeakPolarHBondContact O-CG 3.33Å; K607-D609 PolarHBondContact O-N 3.42Å; K607-F610 PolarHBondContact O-N 2.81Å; K607-F610 VanDerWaalsContact O-N 3.09Å
608	E	93.3	Very high	88.4	Confident	160 Å²	160	68 Å²	68	75%	0.748	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20.6	-179.5	-57	-61.8	163.2	0	0	113.1	K594 R606 F610	K594-E608 WeakPolarHBondContact CE-O 3.2Å; K594-E608 PolarHBondContact NZ-O 3.32Å; R606-E608 PolarHBondContact O-N 3.46Å; R606-E608 VanDerWaalsContact O-N 3.1Å; E608-F610 VanDerWaalsContact C-N 3.29Å
609	D	93.2	Very high	87.9	Confident	52 Å²	52	65.5 Å²	65.5	28%	0.278	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-78.9	-15	177.5	-64.7	-19.5	0	0	0	112.4	K594 T595 R606 K607	K594-D609 WeakPolarHBondContact CB-O 3.24Å; K594-D609 WeakPolarHBondContact CE-O 3.46Å; K594-D609 WeakPolarHBondContact CG-O 3.37Å; K594-D609 PolarHBondContact N-O 3.09Å; T595-D609 HydrophobicContact CG2-CB 3.96Å; R606-D609 WeakPolarHBondContact CB-OD2 3.25Å; R606-D609 IonicContact NH1-OD2 2.91Å; R606-D609 WeakPolarHBondContact O-CB 3.13Å; R606-D609 PolarHBondContact O-N 3.4Å; K607-D609 PolarHBondContact O-N 3.42Å
610	F	91.8	Very high	87.5	Confident	19 Å²	19	66 Å²	66	8%	0.083	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.9	-174.7	-68.7	-88.2	0	0	0	112.7	A591 Y592 D593 F601 F602 D603 R606 K607 E608	A591-F610 HydrophobicContact CB-CB 4.06Å; A591-F610 HydrophobicContact CB-CD1 3.79Å; A591-F610 HydrophobicContact CB-CG 4.33Å; Y592-F610 CarbonylContact O-C 3.41Å; Y592-F610 VanDerWaalsContact O-CA 3.32Å; Y592-F610 WeakPolarHBondContact O-CA 3.26Å; D593-F610 HydrophobicContact CB-CD1 4.24Å; D593-F610 HydrophobicContact CB-CE1 4.05Å; F601-F610 WeakPolarHBondContact O-CE1 3.32Å; F601-F610 VanDerWaalsContact O-CZ 3.27Å; F601-F610 WeakPolarHBondContact O-CZ 3.48Å; F602-F610 HydrophobicContact CD2-CB 3.77Å; F602-F610 HydrophobicContact CD2-CD1 4.2Å; F602-F610 AromaticContact CD2-CD2 3.94Å; F602-F610 HydrophobicContact CD2-CD2 3.94Å; F602-F610 AromaticContact CD2-CG 3.72Å; F602-F610 HydrophobicContact CD2-CG 3.72Å; F602-F610 HydrophobicContact CE2-CB 3.85Å; F602-F610 HydrophobicContact CE2-CD2 4.19Å; F602-F610 HydrophobicContact CE2-CG 4.15Å; D603-F610 HydrophobicContact CB-CE2 3.82Å; D603-F610 HydrophobicContact CB-CZ 4.05Å; D603-F610 VanDerWaalsContact N-CE2 3.34Å; R606-F610 HydrophobicContact CG-CE2 3.85Å; R606-F610 VanDerWaalsContact CZ-CE2 3.47Å; R606-F610 VanDerWaalsContact NH2-CZ 3.25Å; R606-F610 WeakPolarHBondContact O-CD2 3.46Å; K607-F610 PolarHBondContact O-N 2.81Å; K607-F610 VanDerWaalsContact O-N 3.09Å; E608-F610 VanDerWaalsContact C-N 3.29Å
611	E	89.8	Confident	87.4	Confident	54 Å²	54	66.7 Å²	66.7	25%	0.252	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.2	174.1	-172.2	-179.6	170.1	0	0	110.8	Y592 K594 I613 K617	Y592-E611 WeakPolarHBondContact CB-O 3.25Å; Y592-E611 PolarHBondContact N-O 3.18Å; Y592-E611 PolarHBondContact O-N 3.16Å; K594-E611 HydrophobicContact CD-CB 4.38Å; K594-E611 HydrophobicContact CG-CB 4.34Å; E611-I613 HydrophobicContact CG-CG1 4.35Å; E611-K617 IonicContact OE1-NZ 2.85Å; E611-K617 PolarHBondContact OE1-NZ 2.86Å
612	N	84.9	Confident	87.2	Confident	116 Å²	116	65.1 Å²	65.1	62%	0.62	35%	0.352	S	S	*	.			trans	-94.3	110.9	171.8	-76.4	-41.7	0	0	0	109.9	A591 S614	A591-N612 WeakPolarHBondContact CB-OD1 3.31Å; N612-S614 PolarHBondContact O-N 3.43Å
613	I	83	Confident	87	Confident	22 Å²	22	67.6 Å²	67.6	11%	0.113	36%	0.359	C	S	.	.			trans	-93.1	102.2	175.2	-55.9	-179.8	0	0	0	108	E611 K617 P629 F632	E611-I613 HydrophobicContact CG-CG1 4.35Å; I613-K617 HydrophobicContact CG2-CB 4.3Å; I613-K617 HydrophobicContact CG2-CD 4.26Å; I613-K617 HydrophobicContact CG2-CG 4.26Å; I613-P629 HydrophobicContact CD1-CG 3.81Å; I613-F632 HydrophobicContact CB-CD2 4.31Å; I613-F632 HydrophobicContact CB-CE2 3.69Å; I613-F632 HydrophobicContact CB-CZ 3.93Å; I613-F632 HydrophobicContact CD1-CD2 3.71Å; I613-F632 HydrophobicContact CD1-CE2 4Å; I613-F632 HydrophobicContact CD1-CG 4.06Å; I613-F632 HydrophobicContact CG1-CD2 4.4Å; I613-F632 HydrophobicContact CG1-CE2 4.26Å; I613-F632 HydrophobicContact CG2-CE1 4.34Å; I613-F632 HydrophobicContact CG2-CE2 4.15Å; I613-F632 HydrophobicContact CG2-CZ 3.89Å
614	S	79.3	Confident	86.8	Confident	65 Å²	65	70.4 Å²	70.4	46%	0.455	37%	0.374	S	S	.	.			trans	-69.3	158.3	179.2	71.3	0	0	0	0	111.9	N612 T616 K617 M618	N612-S614 PolarHBondContact O-N 3.43Å; S614-T616 PolarHBondContact O-N 3.16Å; S614-K617 PolarHBondContact O-N 3.35Å; S614-K617 PolarHBondContact OG-N 3.08Å; S614-K617 VanDerWaalsContact OG-N 3.15Å; S614-M618 PolarHBondContact O-N 2.78Å
615	G	79	Confident	86.5	Confident	37 Å²	37	67.6 Å²	67.6	38%	0.381	37%	0.365	S	S	.	.	H	α-helix	trans	-55.8	-36.3	172.5	0	0	0	0	0	112.5	M618 R619	G615-M618 WeakPolarHBondContact O-CB 3.5Å; G615-M618 PolarHBondContact O-N 3.16Å; G615-R619 WeakPolarHBondContact O-CB 3.21Å; G615-R619 VanDerWaalsContact O-CG 3.28Å; G615-R619 WeakPolarHBondContact O-CG 3.46Å; G615-R619 PolarHBondContact O-N 3.41Å
616	T	79.7	Confident	86.3	Confident	88 Å²	88	66.6 Å²	66.6	54%	0.54	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-43.5	174.4	-56.7	0	0	0	0	112.2	S614 R619 G620	S614-T616 PolarHBondContact O-N 3.16Å; T616-R619 PolarHBondContact O-N 3.39Å; T616-R619 PolarHBondContact OG1-NH2 2.94Å; T616-G620 PolarHBondContact O-N 3.07Å
617	K	85.3	Confident	86.1	Confident	93 Å²	93	68.2 Å²	68.2	40%	0.404	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-44.7	175.6	-175.1	172.4	179.8	174.4	0	111.2	E611 I613 S614 R619 G620 L621	E611-K617 IonicContact OE1-NZ 2.85Å; E611-K617 PolarHBondContact OE1-NZ 2.86Å; I613-K617 HydrophobicContact CG2-CB 4.3Å; I613-K617 HydrophobicContact CG2-CD 4.26Å; I613-K617 HydrophobicContact CG2-CG 4.26Å; S614-K617 PolarHBondContact O-N 3.35Å; S614-K617 PolarHBondContact OG-N 3.08Å; S614-K617 VanDerWaalsContact OG-N 3.15Å; K617-R619 VanDerWaalsContact C-N 3.35Å; K617-R619 PolarHBondContact O-N 3.35Å; K617-G620 PolarHBondContact O-N 2.88Å; K617-G620 VanDerWaalsContact O-N 3.15Å; K617-L621 WeakPolarHBondContact O-CG 3.25Å; K617-L621 PolarHBondContact O-N 3.36Å
618	M	84.9	Confident	86.1	Confident	17 Å²	17	63.3 Å²	63.3	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-55.9	-47.8	175.3	-176.2	-152.5	-61.5	0	0	111.6	S614 G615 G620 L621 A622 F632 M633 W638 L641	S614-M618 PolarHBondContact O-N 2.78Å; G615-M618 WeakPolarHBondContact O-CB 3.5Å; G615-M618 PolarHBondContact O-N 3.16Å; M618-G620 VanDerWaalsContact C-N 3.32Å; M618-G620 PolarHBondContact O-N 3.14Å; M618-L621 PolarHBondContact O-N 2.99Å; M618-A622 PolarHBondContact O-N 3.24Å; M618-F632 HydrophobicContact CE-CE1 4.18Å; M618-F632 HydrophobicContact CE-CZ 4.23Å; M618-M633 HydrophobicContact CE-CE 4.11Å; M618-M633 HydrophobicContact SD-CE 4.23Å; M618-W638 HydrophobicContact CG-CH2 4.18Å; M618-W638 HydrophobicContact CG-CZ3 3.59Å; M618-W638 WeakPolarHBondContact O-CH2 3.5Å; M618-L641 HydrophobicContact SD-CD1 4.12Å
619	R	82.3	Confident	86	Confident	65 Å²	65	57.7 Å²	57.7	25%	0.245	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-40.2	176.1	-73	-169.9	-68.7	-109.5	-1.3	112.7	G615 T616 K617 A622 R623 Y645	G615-R619 WeakPolarHBondContact O-CB 3.21Å; G615-R619 VanDerWaalsContact O-CG 3.28Å; G615-R619 WeakPolarHBondContact O-CG 3.46Å; G615-R619 PolarHBondContact O-N 3.41Å; T616-R619 PolarHBondContact O-N 3.39Å; T616-R619 PolarHBondContact OG1-NH2 2.94Å; K617-R619 VanDerWaalsContact C-N 3.35Å; K617-R619 PolarHBondContact O-N 3.35Å; R619-A622 PolarHBondContact O-N 3.2Å; R619-R623 WeakPolarHBondContact O-CB 3.47Å; R619-R623 VanDerWaalsContact O-CG 3.3Å; R619-R623 WeakPolarHBondContact O-CG 3.42Å; R619-R623 PolarHBondContact O-N 2.87Å; R619-Y645 HydrophobicContact CB-CE1 4.37Å; R619-Y645 WeakPolarHBondContact CD-OH 3.36Å; R619-Y645 HydrophobicContact CG-CE1 3.72Å; R619-Y645 HydrophobicContact CG-CE2 4.1Å; R619-Y645 VanDerWaalsContact CG-CZ 3.45Å; R619-Y645 VanDerWaalsContact CG-OH 3.26Å; R619-Y645 WeakPolarHBondContact CG-OH 3.28Å
620	G	85.6	Confident	85.9	Confident	29 Å²	29	62.7 Å²	62.7	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-59	-49	175.2	0	0	0	0	0	112	T616 K617 M618 A622 R623 N624	T616-G620 PolarHBondContact O-N 3.07Å; K617-G620 PolarHBondContact O-N 2.88Å; K617-G620 VanDerWaalsContact O-N 3.15Å; M618-G620 VanDerWaalsContact C-N 3.32Å; M618-G620 PolarHBondContact O-N 3.14Å; G620-A622 PolarHBondContact O-N 2.71Å; G620-R623 PolarHBondContact O-N 3.43Å; G620-N624 WeakPolarHBondContact O-CB 3.34Å; G620-N624 VanDerWaalsContact O-CG 3.27Å; G620-N624 PolarHBondContact O-N 3.46Å; G620-N624 PolarHBondContact O-ND2 3.34Å
621	L	88.3	Confident	85.7	Confident	30 Å²	30	63 Å²	63	16%	0.157	36%	0.358	C	S	.	.	H	α-helix	trans	-58.5	-49	176.5	-66.1	169.5	0	0	0	111.4	K617 M618 R623 N624 G625 D626 P628 W638	K617-L621 WeakPolarHBondContact O-CG 3.25Å; K617-L621 PolarHBondContact O-N 3.36Å; M618-L621 PolarHBondContact O-N 2.99Å; L621-R623 VanDerWaalsContact C-N 3.32Å; L621-R623 PolarHBondContact O-N 2.8Å; L621-N624 PolarHBondContact O-N 3.04Å; L621-N624 VanDerWaalsContact O-N 3.16Å; L621-G625 PolarHBondContact O-N 3.06Å; L621-G625 VanDerWaalsContact O-N 3.09Å; L621-D626 HydrophobicContact CB-CB 4.16Å; L621-D626 HydrophobicContact CD2-CB 3.61Å; L621-D626 PolarHBondContact O-N 2.57Å; L621-P628 HydrophobicContact CD1-CB 4.24Å; L621-W638 HydrophobicContact CB-CH2 3.97Å; L621-W638 HydrophobicContact CB-CZ2 4.15Å
622	A	86.3	Confident	85.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-41	-179.6	0	0	0	0	0	112.8	M618 R619 G620 G625 W638 Y645	M618-A622 PolarHBondContact O-N 3.24Å; R619-A622 PolarHBondContact O-N 3.2Å; G620-A622 PolarHBondContact O-N 2.71Å; A622-G625 PolarHBondContact O-N 3.48Å; A622-W638 HydrophobicContact CB-CH2 3.66Å; A622-W638 HydrophobicContact CB-CZ2 3.9Å; A622-W638 HydrophobicContact CB-CZ3 4.47Å; A622-Y645 HydrophobicContact CB-CD2 3.43Å; A622-Y645 VanDerWaalsContact CB-CD2 3.43Å; A622-Y645 HydrophobicContact CB-CE2 4.32Å; A622-Y645 HydrophobicContact CB-CG 3.88Å
623	R	84.4	Confident	86.2	Confident	120 Å²	120	55.6 Å²	55.6	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-67.6	-35.2	176.5	-77.6	177.8	-179.3	177.1	-0.2	112.8	R619 G620 L621 G625 Y645 Q649	R619-R623 WeakPolarHBondContact O-CB 3.47Å; R619-R623 VanDerWaalsContact O-CG 3.3Å; R619-R623 WeakPolarHBondContact O-CG 3.42Å; R619-R623 PolarHBondContact O-N 2.87Å; G620-R623 PolarHBondContact O-N 3.43Å; L621-R623 VanDerWaalsContact C-N 3.32Å; L621-R623 PolarHBondContact O-N 2.8Å; R623-G625 VanDerWaalsContact C-N 3.27Å; R623-Y645 HydrophobicContact CG-CD1 4.49Å; R623-Q649 PolarHBondContact O-NE2 2.94Å; R623-Q649 PolarHBondContact O-OE1 2.89Å
624	N	85.6	Confident	86.7	Confident	119 Å²	119	54.6 Å²	54.6	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-83	-7.9	-179.9	-66.5	-10.9	0	0	0	113	G620 L621 D626	G620-N624 WeakPolarHBondContact O-CB 3.34Å; G620-N624 VanDerWaalsContact O-CG 3.27Å; G620-N624 PolarHBondContact O-N 3.46Å; G620-N624 PolarHBondContact O-ND2 3.34Å; L621-N624 PolarHBondContact O-N 3.04Å; L621-N624 VanDerWaalsContact O-N 3.16Å; N624-D626 VanDerWaalsContact C-N 3.26Å; N624-D626 VanDerWaalsContact CB-OD2 3.25Å; N624-D626 WeakPolarHBondContact CB-OD2 3.27Å
625	G	81.6	Confident	87.5	Confident	42 Å²	42	55.5 Å²	55.5	43%	0.433	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	12.4	-172.8	0	0	0	0	0	113.7	L621 A622 R623	L621-G625 PolarHBondContact O-N 3.06Å; L621-G625 VanDerWaalsContact O-N 3.09Å; A622-G625 PolarHBondContact O-N 3.48Å; R623-G625 VanDerWaalsContact C-N 3.27Å
626	D	89.2	Confident	88.2	Confident	78 Å²	78	56.3 Å²	56.3	42%	0.417	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-78.8	155.3	175.5	-60.5	-44	0	0	0	110.7	L621 N624 W638	L621-D626 HydrophobicContact CB-CB 4.16Å; L621-D626 HydrophobicContact CD2-CB 3.61Å; L621-D626 PolarHBondContact O-N 2.57Å; N624-D626 VanDerWaalsContact C-N 3.26Å; N624-D626 VanDerWaalsContact CB-OD2 3.25Å; N624-D626 WeakPolarHBondContact CB-OD2 3.27Å; D626-W638 WeakPolarHBondContact O-CZ2 3.18Å
627	T	89.1	Confident	89	Confident	109 Å²	109	52.1 Å²	52.1	67%	0.669	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-99.7	142.4	172.7	50.4	0	0	0	0	111.1
628	P	90.9	Very high	89.5	Confident	14 Å²	14	48.6 Å²	48.6	9%	0.091	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64.7	164.9	169.1	31.7	-36.9	0	0	0	110.3	L621 E630 F632 W638	L621-P628 HydrophobicContact CD1-CB 4.24Å; P628-E630 PolarHBondContact O-N 3.37Å; P628-F632 HydrophobicContact CB-CB 4.14Å; P628-F632 HydrophobicContact CB-CD1 3.61Å; P628-F632 HydrophobicContact CB-CE1 4.41Å; P628-F632 HydrophobicContact CB-CG 4.16Å; P628-F632 HydrophobicContact CG-CD1 4.01Å; P628-W638 HydrophobicContact CG-CD2 3.83Å; P628-W638 HydrophobicContact CG-CE3 3.82Å; P628-W638 HydrophobicContact CG-CG 4.29Å; P628-W638 HydrophobicContact CG-CH2 4.46Å; P628-W638 HydrophobicContact CG-CZ3 4.14Å
629	P	91.1	Very high	89.9	Confident	42 Å²	42	54 Å²	54	27%	0.273	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-52	140.2	172.9	-26.8	36.6	0	0	0	111.9	Y592 I613 G631 F632	Y592-P629 HydrophobicContact CD1-CB 4.19Å; Y592-P629 HydrophobicContact CD1-CG 4.47Å; Y592-P629 HydrophobicContact CD2-CB 4.47Å; Y592-P629 HydrophobicContact CE1-CB 3.56Å; Y592-P629 HydrophobicContact CE1-CG 4.2Å; Y592-P629 HydrophobicContact CE2-CB 3.9Å; I613-P629 HydrophobicContact CD1-CG 3.81Å; P629-G631 PolarHBondContact O-N 2.9Å; P629-F632 WeakPolarHBondContact O-CB 3.46Å; P629-F632 PolarHBondContact O-N 3.22Å
630	E	91.1	Very high	90.6	Very high	158 Å²	158	52.9 Å²	52.9	74%	0.738	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	134.9	176.3	-172.5	-176.7	177.8	0	0	110.6	Y592 P628 F632	Y592-E630 WeakPolarHBondContact CE2-O 3.47Å; Y592-E630 PolarHBondContact OH-O 3Å; P628-E630 PolarHBondContact O-N 3.37Å; E630-F632 VanDerWaalsContact C-N 3.3Å; E630-F632 PolarHBondContact O-N 3.09Å
631	G	89.2	Confident	90.9	Very high	25 Å²	25	51.5 Å²	51.5	26%	0.258	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	0.3	-178.3	0	0	0	0	0	115.3	N454 P629	N454-G631 WeakPolarHBondContact CB-O 3.22Å; N454-G631 PolarHBondContact ND2-O 2.9Å; P629-G631 PolarHBondContact O-N 2.9Å
632	F	91.2	Very high	91.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	28%	0.283	C	S	.	.	S	Bend	trans	-73.8	-43	169.7	177	-104.6	0	0	0	113	H453 N454 Y592 M599 I613 M618 P628 P629 E630	H453-F632 HydrophobicContact CB-CE1 4.03Å; H453-F632 HydrophobicContact CB-CE2 4.28Å; H453-F632 HydrophobicContact CB-CZ 3.9Å; N454-F632 VanDerWaalsContact CB-O 3.28Å; N454-F632 WeakPolarHBondContact CB-O 3.33Å; N454-F632 PolarHBondContact N-O 2.85Å; Y592-F632 HydrophobicContact CD2-CB 4.42Å; M599-F632 HydrophobicContact SD-CD2 3.78Å; M599-F632 HydrophobicContact SD-CE2 4.3Å; I613-F632 HydrophobicContact CB-CD2 4.31Å; I613-F632 HydrophobicContact CB-CE2 3.69Å; I613-F632 HydrophobicContact CB-CZ 3.93Å; I613-F632 HydrophobicContact CD1-CD2 3.71Å; I613-F632 HydrophobicContact CD1-CE2 4Å; I613-F632 HydrophobicContact CD1-CG 4.06Å; I613-F632 HydrophobicContact CG1-CD2 4.4Å; I613-F632 HydrophobicContact CG1-CE2 4.26Å; I613-F632 HydrophobicContact CG2-CE1 4.34Å; I613-F632 HydrophobicContact CG2-CE2 4.15Å; I613-F632 HydrophobicContact CG2-CZ 3.89Å; M618-F632 HydrophobicContact CE-CE1 4.18Å; M618-F632 HydrophobicContact CE-CZ 4.23Å; P628-F632 HydrophobicContact CB-CB 4.14Å; P628-F632 HydrophobicContact CB-CD1 3.61Å; P628-F632 HydrophobicContact CB-CE1 4.41Å; P628-F632 HydrophobicContact CB-CG 4.16Å; P628-F632 HydrophobicContact CG-CD1 4.01Å; P629-F632 WeakPolarHBondContact O-CB 3.46Å; P629-F632 PolarHBondContact O-N 3.22Å; E630-F632 VanDerWaalsContact C-N 3.3Å; E630-F632 PolarHBondContact O-N 3.09Å
633	M	93.8	Very high	91.4	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.049	30%	0.302	C	S	.	.	S	Bend	trans	-147	152.4	-179.7	-174.4	176.7	-67.3	0	0	109.3	H453 M618 A637 W638 L641	H453-M633 HydrophobicContact CB-CE 3.86Å; M618-M633 HydrophobicContact CE-CE 4.11Å; M618-M633 HydrophobicContact SD-CE 4.23Å; M633-A637 HydrophobicContact CG-CB 4.24Å; M633-A637 HydrophobicContact SD-CB 4.49Å; M633-W638 HydrophobicContact SD-CB 4.32Å; M633-W638 HydrophobicContact SD-CE3 4.06Å; M633-L641 HydrophobicContact CE-CD1 3.67Å; M633-L641 HydrophobicContact SD-CD1 3.58Å; M633-L641 VanDerWaalsContact SD-CD1 3.58Å
634	A	94	Very high	91.8	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	29%	0.288	C	S	.	.			trans	-59.2	131.8	173.4	0	0	0	0	0	110.7	E505 V507 T636 A637 W638	E505-A634 HydrophobicContact CB-CB 4.28Å; E505-A634 HydrophobicContact CG-CB 4.45Å; E505-A634 WeakPolarHBondContact OE1-CB 3.38Å; V507-A634 HydrophobicContact CG2-CB 3.8Å; A634-T636 PolarHBondContact O-N 2.8Å; A634-A637 HydrophobicContact CB-CB 3.88Å; A634-A637 CarbonylContact O-C 3.56Å; A634-A637 WeakPolarHBondContact O-CB 3.34Å; A634-A637 PolarHBondContact O-N 3.12Å; A634-A637 VanDerWaalsContact O-N 3.13Å; A634-W638 PolarHBondContact O-N 3Å
635	P	94.4	Very high	92.1	Very high	83 Å²	83	43.3 Å²	43.3	54%	0.539	26%	0.259	S	S	.	.	H	α-helix	trans	-50.3	-49.9	-178.3	-32.4	34.4	0	0	0	115.7	E505 A637 W638 E639	E505-P635 VanDerWaalsContact OE2-CD 3.32Å; E505-P635 WeakPolarHBondContact OE2-CD 3.49Å; P635-A637 VanDerWaalsContact C-N 3.28Å; P635-A637 PolarHBondContact O-N 2.61Å; P635-W638 WeakPolarHBondContact O-CB 3.26Å; P635-W638 PolarHBondContact O-N 2.69Å; P635-W638 VanDerWaalsContact O-N 3.12Å; P635-E639 WeakPolarHBondContact O-CG 3.4Å; P635-E639 PolarHBondContact O-N 3.45Å
636	T	95.6	Very high	92.3	Very high	55 Å²	55	45.9 Å²	45.9	34%	0.337	26%	0.259	S	S	.	.	H	α-helix	trans	-67.6	-33.5	179.8	66.7	0	0	0	0	111.2	A501 E505 A634 W638 E639 V640	A501-T636 WeakPolarHBondContact CB-OG1 3.26Å; E505-T636 VanDerWaalsContact CD-OG1 3.29Å; E505-T636 HydrophobicContact CG-CG2 4.26Å; E505-T636 WeakPolarHBondContact CG-OG1 3.4Å; E505-T636 WeakPolarHBondContact OE1-CA 3.37Å; E505-T636 VanDerWaalsContact OE1-CB 3.24Å; E505-T636 WeakPolarHBondContact OE1-CB 3.5Å; E505-T636 WeakPolarHBondContact OE1-CG2 3.05Å; E505-T636 PolarHBondContact OE1-N 2.75Å; E505-T636 PolarHBondContact OE1-OG1 3.02Å; A634-T636 PolarHBondContact O-N 2.8Å; T636-W638 VanDerWaalsContact C-N 3.33Å; T636-E639 PolarHBondContact O-N 2.87Å; T636-V640 WeakPolarHBondContact O-CG2 3.33Å; T636-V640 PolarHBondContact O-N 3.23Å; T636-V640 VanDerWaalsContact O-N 3.15Å
637	A	95.1	Very high	92.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.7	-33.8	174.1	0	0	0	0	0	111.9	Q498 A501 V502 M633 A634 P635 L641	Q498-A637 HydrophobicContact CG-CB 4.07Å; Q498-A637 WeakPolarHBondContact CG-O 3.45Å; A501-A637 HydrophobicContact CB-CB 3.92Å; V502-A637 HydrophobicContact CG2-CB 3.61Å; M633-A637 HydrophobicContact CG-CB 4.24Å; M633-A637 HydrophobicContact SD-CB 4.49Å; A634-A637 HydrophobicContact CB-CB 3.88Å; A634-A637 CarbonylContact O-C 3.56Å; A634-A637 WeakPolarHBondContact O-CB 3.34Å; A634-A637 PolarHBondContact O-N 3.12Å; A634-A637 VanDerWaalsContact O-N 3.13Å; P635-A637 VanDerWaalsContact C-N 3.28Å; P635-A637 PolarHBondContact O-N 2.61Å; A637-L641 PolarHBondContact O-N 2.97Å
638	W	95.3	Very high	92.1	Very high	18 Å²	18	42.7 Å²	42.7	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-43	171.1	177	-107.9	0	0	0	111.7	M618 L621 A622 D626 P628 M633 A634 P635 T636 V640 L641 A642	M618-W638 HydrophobicContact CG-CH2 4.18Å; M618-W638 HydrophobicContact CG-CZ3 3.59Å; M618-W638 WeakPolarHBondContact O-CH2 3.5Å; L621-W638 HydrophobicContact CB-CH2 3.97Å; L621-W638 HydrophobicContact CB-CZ2 4.15Å; A622-W638 HydrophobicContact CB-CH2 3.66Å; A622-W638 HydrophobicContact CB-CZ2 3.9Å; A622-W638 HydrophobicContact CB-CZ3 4.47Å; D626-W638 WeakPolarHBondContact O-CZ2 3.18Å; P628-W638 HydrophobicContact CG-CD2 3.83Å; P628-W638 HydrophobicContact CG-CE3 3.82Å; P628-W638 HydrophobicContact CG-CG 4.29Å; P628-W638 HydrophobicContact CG-CH2 4.46Å; P628-W638 HydrophobicContact CG-CZ3 4.14Å; M633-W638 HydrophobicContact SD-CB 4.32Å; M633-W638 HydrophobicContact SD-CE3 4.06Å; A634-W638 PolarHBondContact O-N 3Å; P635-W638 WeakPolarHBondContact O-CB 3.26Å; P635-W638 PolarHBondContact O-N 2.69Å; P635-W638 VanDerWaalsContact O-N 3.12Å; T636-W638 VanDerWaalsContact C-N 3.33Å; W638-V640 VanDerWaalsContact C-N 3.3Å; W638-V640 PolarHBondContact O-N 2.87Å; W638-L641 PolarHBondContact O-N 3.35Å; W638-L641 VanDerWaalsContact O-N 3.11Å; W638-A642 WeakPolarHBondContact O-CB 3.31Å; W638-A642 PolarHBondContact O-N 3.41Å
639	E	95	Very high	91.4	Very high	132 Å²	132	46.2 Å²	46.2	62%	0.617	26%	0.257	S	S	*	.	H	α-helix	trans	-57.6	-41.5	177.4	-73.4	174	-179.8	0	0	112.3	P635 T636 L641 A642 G643	P635-E639 WeakPolarHBondContact O-CG 3.4Å; P635-E639 PolarHBondContact O-N 3.45Å; T636-E639 PolarHBondContact O-N 2.87Å; E639-L641 PolarHBondContact O-N 3.19Å; E639-A642 PolarHBondContact O-N 2.76Å; E639-G643 PolarHBondContact O-N 3.21Å
640	V	95.2	Very high	90.2	Very high	40 Å²	40	50.8 Å²	50.8	24%	0.242	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-47.4	174.4	172.7	0	0	0	0	111.1	I494 K497 Q498 T636 W638 Y644	I494-V640 HydrophobicContact CG2-CG1 4.1Å; K497-V640 HydrophobicContact CB-CG1 3.95Å; Q498-V640 HydrophobicContact CB-CB 4.43Å; Q498-V640 HydrophobicContact CB-CG1 4.01Å; T636-V640 WeakPolarHBondContact O-CG2 3.33Å; T636-V640 PolarHBondContact O-N 3.23Å; T636-V640 VanDerWaalsContact O-N 3.15Å; W638-V640 VanDerWaalsContact C-N 3.3Å; W638-V640 PolarHBondContact O-N 2.87Å; V640-Y644 PolarHBondContact O-N 2.96Å; V640-Y644 VanDerWaalsContact O-N 3.14Å
641	L	93.4	Very high	88.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-45.5	179.3	-66.2	179.3	0	0	0	112.3	P451 V490 I494 Q498 M618 M633 A637 W638 E639 G643 Y644 Y645	P451-L641 HydrophobicContact CB-CD1 3.61Å; P451-L641 HydrophobicContact CB-CD2 3.84Å; P451-L641 HydrophobicContact CB-CG 4.29Å; P451-L641 HydrophobicContact CG-CD1 3.98Å; P451-L641 HydrophobicContact CG-CD2 3.49Å; P451-L641 VanDerWaalsContact CG-CD2 3.49Å; P451-L641 HydrophobicContact CG-CG 4.39Å; V490-L641 HydrophobicContact CG1-CD2 4.29Å; I494-L641 HydrophobicContact CG2-CD2 4.41Å; Q498-L641 HydrophobicContact CB-CD2 4.48Å; Q498-L641 HydrophobicContact CG-CD1 4.25Å; Q498-L641 HydrophobicContact CG-CD2 4.08Å; Q498-L641 HydrophobicContact CG-CG 3.9Å; M618-L641 HydrophobicContact SD-CD1 4.12Å; M633-L641 HydrophobicContact CE-CD1 3.67Å; M633-L641 HydrophobicContact SD-CD1 3.58Å; M633-L641 VanDerWaalsContact SD-CD1 3.58Å; A637-L641 PolarHBondContact O-N 2.97Å; W638-L641 PolarHBondContact O-N 3.35Å; W638-L641 VanDerWaalsContact O-N 3.11Å; E639-L641 PolarHBondContact O-N 3.19Å; L641-G643 VanDerWaalsContact C-N 3.3Å; L641-G643 PolarHBondContact O-N 3.05Å; L641-Y644 PolarHBondContact O-N 3.27Å; L641-Y645 WeakPolarHBondContact O-CD2 3.36Å; L641-Y645 PolarHBondContact O-N 3.3Å
642	A	92.5	Very high	86.7	Confident	10 Å²	10	56.3 Å²	56.3	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-41.7	178.4	0	0	0	0	0	111	W638 E639 Y645 K646	W638-A642 WeakPolarHBondContact O-CB 3.31Å; W638-A642 PolarHBondContact O-N 3.41Å; E639-A642 PolarHBondContact O-N 2.76Å; A642-Y645 PolarHBondContact O-N 2.94Å; A642-K646 WeakPolarHBondContact O-CB 3.48Å; A642-K646 VanDerWaalsContact O-CG 3.24Å; A642-K646 WeakPolarHBondContact O-CG 3.39Å; A642-K646 PolarHBondContact O-N 3.18Å
643	G	92.8	Very high	86.4	Confident	40 Å²	40	58.9 Å²	58.9	41%	0.412	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-46.1	174.1	0	0	0	0	0	112.6	E639 L641 K646 S647	E639-G643 PolarHBondContact O-N 3.21Å; L641-G643 VanDerWaalsContact C-N 3.3Å; L641-G643 PolarHBondContact O-N 3.05Å; G643-K646 PolarHBondContact O-N 3.42Å; G643-S647 PolarHBondContact O-N 2.88Å
644	Y	92.9	Very high	86.1	Confident	37 Å²	37	61.5 Å²	61.5	15%	0.145	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-48	175.2	167.8	-111	0	0	0	112.8	V490 P491 I494 V640 L641 K646 S647 L648	V490-Y644 HydrophobicContact CG1-CD1 4.25Å; V490-Y644 HydrophobicContact CG1-CE1 4.22Å; V490-Y644 HydrophobicContact CG2-CE1 4.4Å; P491-Y644 WeakPolarHBondContact CD-OH 3.4Å; P491-Y644 HydrophobicContact CG-CE2 3.87Å; I494-Y644 HydrophobicContact CD1-CD2 4.3Å; I494-Y644 HydrophobicContact CG1-CD2 3.83Å; I494-Y644 HydrophobicContact CG1-CE2 4.39Å; I494-Y644 HydrophobicContact CG1-CG 4.15Å; I494-Y644 HydrophobicContact CG2-CD1 4.38Å; I494-Y644 HydrophobicContact CG2-CG 3.97Å; V640-Y644 PolarHBondContact O-N 2.96Å; V640-Y644 VanDerWaalsContact O-N 3.14Å; L641-Y644 PolarHBondContact O-N 3.27Å; Y644-K646 VanDerWaalsContact C-N 3.29Å; Y644-K646 PolarHBondContact O-N 3.05Å; Y644-S647 PolarHBondContact O-N 3.25Å; Y644-S647 VanDerWaalsContact O-N 3.17Å; Y644-S647 PolarHBondContact O-OG 3.47Å; Y644-L648 HydrophobicContact CE1-CD1 3.91Å; Y644-L648 HydrophobicContact CE2-CD1 4.21Å; Y644-L648 HydrophobicContact CE2-CD2 4.2Å; Y644-L648 HydrophobicContact CE2-CG 4.14Å; Y644-L648 PolarHBondContact O-N 3.26Å
645	Y	90.1	Very high	85.6	Confident	10 Å²	10	64.8 Å²	64.8	4%	0.039	36%	0.363	C	S	.	.	H	α-helix	trans	-67.5	-30.6	-179.8	-74.8	-65.8	0	0	0	112.9	V490 R619 A622 R623 L641 A642 L648 Q649	V490-Y645 VanDerWaalsContact CG2-OH 3.24Å; V490-Y645 WeakPolarHBondContact CG2-OH 3.37Å; R619-Y645 HydrophobicContact CB-CE1 4.37Å; R619-Y645 WeakPolarHBondContact CD-OH 3.36Å; R619-Y645 HydrophobicContact CG-CE1 3.72Å; R619-Y645 HydrophobicContact CG-CE2 4.1Å; R619-Y645 VanDerWaalsContact CG-CZ 3.45Å; R619-Y645 VanDerWaalsContact CG-OH 3.26Å; R619-Y645 WeakPolarHBondContact CG-OH 3.28Å; A622-Y645 HydrophobicContact CB-CD2 3.43Å; A622-Y645 VanDerWaalsContact CB-CD2 3.43Å; A622-Y645 HydrophobicContact CB-CE2 4.32Å; A622-Y645 HydrophobicContact CB-CG 3.88Å; R623-Y645 HydrophobicContact CG-CD1 4.49Å; L641-Y645 WeakPolarHBondContact O-CD2 3.36Å; L641-Y645 PolarHBondContact O-N 3.3Å; A642-Y645 PolarHBondContact O-N 2.94Å; Y645-L648 HydrophobicContact CD1-CD1 4.11Å; Y645-Q649 PolarHBondContact O-N 3.1Å
646	K	87.1	Confident	85.1	Confident	97 Å²	97	63.7 Å²	63.7	42%	0.422	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-39.4	170.7	-74.2	173.8	-178.5	-179.9	0	112	A642 G643 Y644 L648 Q649 N650	A642-K646 WeakPolarHBondContact O-CB 3.48Å; A642-K646 VanDerWaalsContact O-CG 3.24Å; A642-K646 WeakPolarHBondContact O-CG 3.39Å; A642-K646 PolarHBondContact O-N 3.18Å; G643-K646 PolarHBondContact O-N 3.42Å; Y644-K646 VanDerWaalsContact C-N 3.29Å; Y644-K646 PolarHBondContact O-N 3.05Å; K646-L648 VanDerWaalsContact C-N 3.26Å; K646-L648 PolarHBondContact O-N 3.24Å; K646-Q649 WeakPolarHBondContact O-CB 3.4Å; K646-Q649 PolarHBondContact O-N 2.68Å; K646-Q649 VanDerWaalsContact O-N 3.09Å; K646-N650 PolarHBondContact O-N 3.34Å
647	S	87.8	Confident	84.4	Confident	54 Å²	54	64.3 Å²	64.3	38%	0.378	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-32	177.8	69.4	0	0	0	0	112.6	G643 Y644 Q649 N650 S651	G643-S647 PolarHBondContact O-N 2.88Å; Y644-S647 PolarHBondContact O-N 3.25Å; Y644-S647 VanDerWaalsContact O-N 3.17Å; Y644-S647 PolarHBondContact O-OG 3.47Å; S647-Q649 VanDerWaalsContact C-N 3.32Å; S647-Q649 PolarHBondContact O-N 3.35Å; S647-N650 PolarHBondContact O-N 3.36Å; S647-S651 PolarHBondContact O-N 3.21Å; S647-S651 PolarHBondContact O-OG 3.16Å
648	L	85.3	Confident	83.7	Confident	66 Å²	66	68.5 Å²	68.5	35%	0.346	38%	0.377	S	S	.	.	H	α-helix	trans	-65.9	-32.2	172.9	-67	178.4	0	0	0	113.1	Y644 Y645 K646	Y644-L648 HydrophobicContact CE1-CD1 3.91Å; Y644-L648 HydrophobicContact CE2-CD1 4.21Å; Y644-L648 HydrophobicContact CE2-CD2 4.2Å; Y644-L648 HydrophobicContact CE2-CG 4.14Å; Y644-L648 PolarHBondContact O-N 3.26Å; Y645-L648 HydrophobicContact CD1-CD1 4.11Å; K646-L648 VanDerWaalsContact C-N 3.26Å; K646-L648 PolarHBondContact O-N 3.24Å
649	Q	75.9	Confident	82.9	Confident	87 Å²	87	72.1 Å²	72.1	41%	0.407	40%	0.399	S	S	.	.	H	α-helix	trans	-73	-34.4	176.2	-72.9	177.4	-27.4	0	0	112.5	R623 Y645 K646 S647 S651	R623-Q649 PolarHBondContact O-NE2 2.94Å; R623-Q649 PolarHBondContact O-OE1 2.89Å; Y645-Q649 PolarHBondContact O-N 3.1Å; K646-Q649 WeakPolarHBondContact O-CB 3.4Å; K646-Q649 PolarHBondContact O-N 2.68Å; K646-Q649 VanDerWaalsContact O-N 3.09Å; S647-Q649 VanDerWaalsContact C-N 3.32Å; S647-Q649 PolarHBondContact O-N 3.35Å; Q649-S651 VanDerWaalsContact C-N 3.28Å; Q649-S651 PolarHBondContact O-N 3.29Å
650	N	67.6	Low	82	Confident	138 Å²	138	67.5 Å²	67.5	74%	0.738	38%	0.382	S	S	*	.	H	α-helix	trans	-79.8	-9.7	179.9	-65.6	-17.2	0	0	0	113.5	K646 S647	K646-N650 PolarHBondContact O-N 3.34Å; S647-N650 PolarHBondContact O-N 3.36Å
651	S	58.7	Low	80.9	Confident	98 Å²	98	69.8 Å²	69.8	69%	0.685	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-5	-179.3	-52.9	0	0	0	0	113.3	S647 Q649	S647-S651 PolarHBondContact O-N 3.21Å; S647-S651 PolarHBondContact O-OG 3.16Å; Q649-S651 VanDerWaalsContact C-N 3.28Å; Q649-S651 PolarHBondContact O-N 3.29Å
652	N	46.4	Very low	79.7	Confident	201 Å²	201	76.2 Å²	76.2	100%	1.075	43%	0.43	S	S	*	.			trans	-105.6	0	168.8	-76.4	-23.6	0	0	0	109.2

Retrieved 652 of 652 residues in 250.9 ms (Link to these results)

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