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Eukaryotic translation initiation factor 3 subunit D

mRNA cap-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, a complex required for several steps in the initiation of protein synthesis of a specialized repertoire of mRNAs. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression. In the eIF-3 complex, EIF3D specifically recognizes and binds the 7-methylguanosine cap of a subset of mRNAs.

AlphaFold DB , UniProt , Accession A0A061IEG5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Eif3d, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55	Low	82.9	Confident	243 Å²	243	144.8 Å²	144.8	100%	1.197	78%	0.776	S	S	*	*				0	133.1	0	-76.7	176.7	-177.3	0	0	108	K3	M1-K3 PolarHBondContact O-N 3.21Å
2	A	62.8	Low	83.7	Confident	109 Å²	109	135.9 Å²	135.9	90%	0.901	73%	0.728	S	S	*	*			trans	-68.3	128.3	171.6	0	0	0	0	0	108.8
3	K	74.4	Confident	84.3	Confident	182 Å²	182	135 Å²	135	79%	0.791	73%	0.734	S	S	*	*			trans	-86.8	119.2	-179.5	-169.6	175.8	-178	-178.7	0	108.5	M1 M5	M1-K3 PolarHBondContact O-N 3.21Å; K3-M5 HydrophobicContact CG-CG 4.4Å
4	F	86.2	Confident	84.9	Confident	175 Å²	175	133.6 Å²	133.6	77%	0.768	74%	0.739	S	S	*	*			trans	-114.1	122.2	169.6	-178.7	-100.8	0	0	0	108.1
5	M	91.5	Very high	85.2	Confident	136 Å²	136	126.6 Å²	126.6	67%	0.67	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-102.4	136.2	174.4	-64.9	-166.8	-88.2	0	0	108.2	K3	K3-M5 HydrophobicContact CG-CG 4.4Å
6	T	90.9	Very high	85.5	Confident	121 Å²	121	135.7 Å²	135.7	74%	0.742	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-63.3	127.2	179.2	46.1	0	0	0	0	109.9
7	P	91.4	Very high	85.8	Confident	92 Å²	92	130.2 Å²	130.2	60%	0.597	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-67.2	139.4	176.7	28.6	-33.8	0	0	0	110.1
8	V	89.4	Confident	86	Confident	150 Å²	150	129.6 Å²	129.6	91%	0.909	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-77.8	126.2	175.4	-178.1	0	0	0	0	108.6
9	I	90.1	Very high	86.2	Confident	145 Å²	145	126.3 Å²	126.3	74%	0.744	70%	0.702	S	S	*	*			trans	-122.3	142.2	178.6	-59	177.5	0	0	0	108.2
10	Q	89.5	Confident	86.3	Confident	105 Å²	105	122.3 Å²	122.3	49%	0.491	69%	0.686	S	S	.	*			trans	-75	139.6	177.3	-63.3	-177.4	-4.9	0	0	111.1
11	D	91.1	Very high	86.4	Confident	135 Å²	135	120.6 Å²	120.6	72%	0.722	68%	0.678	S	S	*	*			trans	-98.7	125.8	173.8	-168	-0.1	0	0	0	110.1	C19	D11-C19 PolarHBondContact O-SG 3.4Å
12	N	92.4	Very high	88.1	Confident	38 Å²	38	112.6 Å²	112.6	20%	0.203	64%	0.644	C	S	.	*			trans	-128.4	94.3	177.5	-172.6	-7.7	0	0	0	110.1	S14 G15 G17 C19	N12-S14 PolarHBondContact O-N 3.19Å; N12-S14 PolarHBondContact OD1-N 3.17Å; N12-S14 VanDerWaalsContact OD1-N 3.17Å; N12-S14 PolarHBondContact OD1-OG 3.03Å; N12-G15 WeakPolarHBondContact CB-O 3.45Å; N12-G15 PolarHBondContact ND2-O 2.87Å; N12-G15 PolarHBondContact OD1-N 3.44Å; N12-G17 PolarHBondContact ND2-O 3.38Å; N12-C19 HydrophobicContact CB-CB 3.87Å
13	P	91.6	Very high	89.3	Confident	124 Å²	124	113.1 Å²	113.1	81%	0.805	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-19.5	-178.6	-23.8	34.5	0	0	0	114.4
14	S	91.8	Very high	90	Very high	115 Å²	115	111.8 Å²	111.8	80%	0.804	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-4.9	-168.6	64.7	0	0	0	0	114.5	N12	N12-S14 PolarHBondContact O-N 3.19Å; N12-S14 PolarHBondContact OD1-N 3.17Å; N12-S14 VanDerWaalsContact OD1-N 3.17Å; N12-S14 PolarHBondContact OD1-OG 3.03Å
15	G	90.1	Very high	90.2	Very high	29 Å²	29	107.9 Å²	107.9	30%	0.299	61%	0.608	S	S	.	*			trans	-175.3	177.8	-179.3	0	0	0	0	0	113.3	N12	N12-G15 WeakPolarHBondContact CB-O 3.45Å; N12-G15 PolarHBondContact ND2-O 2.87Å; N12-G15 PolarHBondContact OD1-N 3.44Å
16	W	89.8	Confident	90.1	Very high	272 Å²	272	107.1 Å²	107.1	100%	1.03	60%	0.597	S	S	*	*	S	Bend	trans	-99.4	2.9	-179.1	-67.5	-74.9	0	0	0	114.1
17	G	89.9	Confident	90.2	Very high	42 Å²	42	108.1 Å²	108.1	43%	0.433	60%	0.598	S	S	.	*	S	Bend	trans	-96.7	-179.4	-177.2	0	0	0	0	0	114.1	N12 C19	N12-G17 PolarHBondContact ND2-O 3.38Å; G17-C19 PolarHBondContact O-N 2.87Å
18	P	89.4	Confident	90.1	Very high	120 Å²	120	109 Å²	109	78%	0.779	60%	0.595	S	S	*	*			trans	-60	130.8	174.6	26.5	-33.8	0	0	0	110.6
19	C	90.1	Very high	90.3	Very high	67 Å²	67	105 Å²	105	45%	0.453	57%	0.573	S	S	.	*			trans	-100.8	-15.8	177.5	59.5	0	0	0	0	113.3	D11 N12 G17	D11-C19 PolarHBondContact O-SG 3.4Å; N12-C19 HydrophobicContact CB-CB 3.87Å; G17-C19 PolarHBondContact O-N 2.87Å
20	A	87.8	Confident	90.3	Very high	45 Å²	45	105.7 Å²	105.7	37%	0.372	57%	0.567	S	S	.	*	S	Bend	trans	-138.9	148.4	179.7	0	0	0	0	0	111.6
21	V	89.8	Confident	90.4	Very high	87 Å²	87	103.4 Å²	103.4	53%	0.527	56%	0.556	S	S	.	*			trans	-65.9	135	168.3	-179.4	0	0	0	0	108.4	E23 R26	V21-E23 PolarHBondContact O-N 2.94Å; V21-R26 PolarHBondContact O-NH2 3.35Å
22	P	90.6	Very high	90.4	Very high	75 Å²	75	98.9 Å²	98.9	49%	0.487	53%	0.534	S	S	.	.			trans	-53.1	133.9	175.9	-26	34.3	0	0	0	111.8	Q24 F25 R26	P22-Q24 PolarHBondContact O-N 3.23Å; P22-Q24 VanDerWaalsContact O-N 3.1Å; P22-F25 HydrophobicContact CB-CD2 4.49Å; P22-F25 PolarHBondContact O-N 3.38Å; P22-F25 VanDerWaalsContact O-N 3.07Å; P22-R26 PolarHBondContact O-N 3.36Å
23	E	87.9	Confident	90.3	Very high	121 Å²	121	103.9 Å²	103.9	57%	0.565	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-51.8	-38.7	-177.3	-156.8	65	-150.9	0	0	112.4	V21 F25 R26	V21-E23 PolarHBondContact O-N 2.94Å; E23-F25 PolarHBondContact O-N 3.5Å; E23-R26 PolarHBondContact O-N 3.46Å; E23-R26 IonicContact OE1-CZ 3.65Å; E23-R26 IonicContact OE1-NH1 2.84Å; E23-R26 PolarHBondContact OE1-NH1 3.1Å; E23-R26 IonicContact OE2-CZ 3.02Å; E23-R26 IonicContact OE2-NH1 2.73Å; E23-R26 PolarHBondContact OE2-NH1 3.16Å; E23-R26 IonicContact OE2-NH2 2.74Å; E23-R26 PolarHBondContact OE2-NH2 3.23Å
24	Q	89.1	Confident	90.3	Very high	154 Å²	154	100.2 Å²	100.2	72%	0.72	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-55.1	-27.7	-178.6	-174.4	175.9	20.5	0	0	114.5	P22	P22-Q24 PolarHBondContact O-N 3.23Å; P22-Q24 VanDerWaalsContact O-N 3.1Å
25	F	90.9	Very high	90.2	Very high	93 Å²	93	103.8 Å²	103.8	41%	0.408	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-120.4	8.2	-174.7	-58	-65.4	0	0	0	113.2	P22 E23	P22-F25 HydrophobicContact CB-CD2 4.49Å; P22-F25 PolarHBondContact O-N 3.38Å; P22-F25 VanDerWaalsContact O-N 3.07Å; E23-F25 PolarHBondContact O-N 3.5Å
26	R	89.1	Confident	90.1	Very high	120 Å²	120	105.9 Å²	105.9	45%	0.453	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	-44.7	-176.6	-173.3	-179.8	-65.1	139.1	13.8	111.8	V21 P22 E23 M28	V21-R26 PolarHBondContact O-NH2 3.35Å; P22-R26 PolarHBondContact O-N 3.36Å; E23-R26 PolarHBondContact O-N 3.46Å; E23-R26 IonicContact OE1-CZ 3.65Å; E23-R26 IonicContact OE1-NH1 2.84Å; E23-R26 PolarHBondContact OE1-NH1 3.1Å; E23-R26 IonicContact OE2-CZ 3.02Å; E23-R26 IonicContact OE2-NH1 2.73Å; E23-R26 PolarHBondContact OE2-NH1 3.16Å; E23-R26 IonicContact OE2-NH2 2.74Å; E23-R26 PolarHBondContact OE2-NH2 3.23Å; R26-M28 VanDerWaalsContact C-N 3.28Å; R26-M28 PolarHBondContact O-N 2.76Å
27	D	91.8	Very high	89.9	Confident	142 Å²	142	95.5 Å²	95.5	76%	0.759	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	19.7	-173.6	-51.5	-40.4	0	0	0	112.5
28	M	90.4	Very high	89.8	Confident	110 Å²	110	100.7 Å²	100.7	54%	0.542	53%	0.526	S	S	.	.	S	Bend	trans	-134	124.6	-176	-175.9	176.1	-73.3	0	0	110.7	R26 Y30 Y69	R26-M28 VanDerWaalsContact C-N 3.28Å; R26-M28 PolarHBondContact O-N 2.76Å; M28-Y30 PolarHBondContact O-N 2.74Å; M28-Y30 VanDerWaalsContact O-N 3.12Å; M28-Y69 WeakPolarHBondContact CG-OH 3.29Å
29	P	92.6	Very high	89.9	Confident	66 Å²	66	102.4 Å²	102.4	43%	0.429	53%	0.527	S	S	.	.			trans	-53.1	117.3	172.6	-26	32.3	0	0	0	112.1	Q31 Q68 Y69	P29-Q31 PolarHBondContact O-N 3.1Å; P29-Q68 HydrophobicContact CB-CB 4.42Å; P29-Y69 HydrophobicContact CB-CE1 4.13Å; P29-Y69 HydrophobicContact CB-CE2 4.32Å; P29-Y69 WeakPolarHBondContact CD-OH 3.42Å; P29-Y69 HydrophobicContact CG-CE1 4.1Å; P29-Y69 VanDerWaalsContact O-CE2 3.24Å; P29-Y69 WeakPolarHBondContact O-CE2 3.39Å; P29-Y69 VanDerWaalsContact O-CZ 3.3Å; P29-Y69 PolarHBondContact O-OH 3.18Å
30	Y	90.8	Very high	89.8	Confident	159 Å²	159	102 Å²	102	62%	0.624	54%	0.535	S	S	*	.			trans	-72.5	118.4	-174.3	178.1	-98.7	0	0	0	111.4	M28 P32 Q68	M28-Y30 PolarHBondContact O-N 2.74Å; M28-Y30 VanDerWaalsContact O-N 3.12Å; Y30-P32 HydrophobicContact CE1-CB 4.45Å; Y30-Q68 PolarHBondContact O-OE1 3.39Å
31	Q	91.4	Very high	89.8	Confident	58 Å²	58	106.2 Å²	106.2	27%	0.271	55%	0.545	S	S	.	.			trans	-127.3	121.2	169.3	-171	165.1	-50.3	0	0	111	P29 G66 Q68 Y69	P29-Q31 PolarHBondContact O-N 3.1Å; Q31-G66 PolarHBondContact NE2-O 3.07Å; Q31-G66 VanDerWaalsContact NE2-O 3.13Å; Q31-Q68 VanDerWaalsContact OE1-N 3.11Å; Q31-Y69 HydrophobicContact CB-CD2 3.98Å; Q31-Y69 HydrophobicContact CB-CE2 3.95Å
32	P	91.6	Very high	89.8	Confident	39 Å²	39	106.1 Å²	106.1	25%	0.253	54%	0.544	S	S	.	.			trans	-66.6	144.8	177.5	26.9	-34.3	0	0	0	111.3	Y30 G64	Y30-P32 HydrophobicContact CE1-CB 4.45Å; P32-G64 VanDerWaalsContact O-O 3.1Å
33	F	90.8	Very high	89.7	Confident	144 Å²	144	107 Å²	107	63%	0.632	56%	0.558	S	S	*	*			trans	-152	164	177.9	73.7	-78.4	0	0	0	112.2	K35	F33-K35 HydrophobicContact CD2-CG 4.27Å; F33-K35 HydrophobicContact CE2-CD 4.41Å; F33-K35 HydrophobicContact CE2-CG 3.55Å; F33-K35 HydrophobicContact CZ-CG 4.37Å
34	S	90.1	Very high	89.7	Confident	46 Å²	46	103.2 Å²	103.2	32%	0.322	54%	0.542	S	S	.	.			trans	-117.2	124.5	174.4	161.1	0	0	0	0	110.3	G36 D37	S34-G36 PolarHBondContact O-N 2.84Å; S34-G36 PolarHBondContact OG-N 3.45Å; S34-D37 VanDerWaalsContact CB-OD1 3.23Å; S34-D37 WeakPolarHBondContact CB-OD1 3.41Å; S34-D37 PolarHBondContact O-N 3.41Å; S34-D37 PolarHBondContact OG-OD1 2.73Å
35	K	89.4	Confident	89.5	Confident	191 Å²	191	107.7 Å²	107.7	83%	0.83	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-15.6	177.6	-70.4	-177.5	-179	-176.4	0	113.6	F33	F33-K35 HydrophobicContact CD2-CG 4.27Å; F33-K35 HydrophobicContact CE2-CD 4.41Å; F33-K35 HydrophobicContact CE2-CG 3.55Å; F33-K35 HydrophobicContact CZ-CG 4.37Å
36	G	88.4	Confident	89.2	Confident	73 Å²	73	107.8 Å²	107.8	75%	0.753	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-4.4	-178.9	0	0	0	0	0	114.1	S34	S34-G36 PolarHBondContact O-N 2.84Å; S34-G36 PolarHBondContact OG-N 3.45Å
37	D	87.2	Confident	88.9	Confident	54 Å²	54	104.8 Å²	104.8	29%	0.289	57%	0.567	S	S	.	*	S	Bend	trans	-71.9	147.8	-176.5	-67.5	2.7	0	0	0	110.8	S34 L39 S61	S34-D37 VanDerWaalsContact CB-OD1 3.23Å; S34-D37 WeakPolarHBondContact CB-OD1 3.41Å; S34-D37 PolarHBondContact O-N 3.41Å; S34-D37 PolarHBondContact OG-OD1 2.73Å; D37-L39 PolarHBondContact O-N 3.25Å; D37-S61 WeakPolarHBondContact OD2-CA 2.89Å; D37-S61 VanDerWaalsContact OD2-CB 3.29Å; D37-S61 WeakPolarHBondContact OD2-CB 3.29Å; D37-S61 PolarHBondContact OD2-OG 3.1Å
38	R	87.6	Confident	88.4	Confident	151 Å²	151	100.9 Å²	100.9	57%	0.57	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-71	126.3	-179	-174.1	178.3	179.5	148.3	2.5	110.4	Y59	R38-Y59 HydrophobicContact CG-CD1 4.31Å; R38-Y59 HydrophobicContact CG-CE1 4.04Å; R38-Y59 WeakPolarHBondContact O-CD1 3.24Å
39	L	89.7	Confident	87.8	Confident	155 Å²	155	99.5 Å²	99.5	81%	0.812	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-94.4	163	176.8	-57.5	178.8	0	0	0	112.5	D37	D37-L39 PolarHBondContact O-N 3.25Å
40	G	88.3	Confident	87	Confident	60 Å²	60	99.1 Å²	99.1	62%	0.619	54%	0.542	S	S	*	.			trans	99.1	46.5	172.9	0	0	0	0	0	115.5	Y59	G40-Y59 PolarHBondContact O-OH 3.42Å
41	K	88.8	Confident	85.9	Confident	132 Å²	132	100.3 Å²	100.3	57%	0.574	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-89.2	123.1	169.8	-173.9	-178.2	176.9	-179.1	0	109.5	Y50 Y59	K41-Y50 WeakPolarHBondContact CG-OH 3.05Å; K41-Y59 HydrophobicContact CB-CD1 4.01Å; K41-Y59 HydrophobicContact CB-CD2 4.15Å; K41-Y59 HydrophobicContact CB-CE1 4.45Å; K41-Y59 HydrophobicContact CB-CG 3.83Å; K41-Y59 HydrophobicContact CD-CG 4.43Å; K41-Y59 HydrophobicContact CG-CD2 4.21Å; K41-Y59 HydrophobicContact CG-CG 4.27Å
42	V	89.4	Confident	85	Confident	85 Å²	85	100 Å²	100	52%	0.515	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-76	139.8	173.3	-176.2	0	0	0	0	110.1	Y50	V42-Y50 WeakPolarHBondContact CA-OH 3.29Å; V42-Y50 WeakPolarHBondContact CB-OH 3.45Å; V42-Y50 PolarHBondContact N-OH 3.33Å; V42-Y50 WeakPolarHBondContact O-CE2 3.39Å; V42-Y50 PolarHBondContact O-OH 3.22Å
43	A	89.3	Confident	84.1	Confident	95 Å²	95	106.1 Å²	106.1	79%	0.785	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-95.1	132.9	165.6	0	0	0	0	0	109.3
44	D	86.4	Confident	83.4	Confident	41 Å²	41	107.8 Å²	107.8	22%	0.219	58%	0.578	C	S	.	*			trans	-139.4	108	-175.4	176.9	6.2	0	0	0	109.7	T46 G47 A48 T49	D44-T46 PolarHBondContact O-N 3.22Å; D44-T46 WeakPolarHBondContact OD1-CA 3.34Å; D44-T46 WeakPolarHBondContact OD1-CB 3.01Å; D44-T46 PolarHBondContact OD1-N 3.25Å; D44-T46 PolarHBondContact OD1-OG1 3.13Å; D44-T46 PolarHBondContact OD2-OG1 3.12Å; D44-G47 PolarHBondContact O-N 3.43Å; D44-G47 PolarHBondContact OD1-N 3.06Å; D44-A48 PolarHBondContact OD2-N 2.81Å; D44-T49 VanDerWaalsContact OD2-CB 3.24Å; D44-T49 WeakPolarHBondContact OD2-CB 3.47Å; D44-T49 PolarHBondContact OD2-N 2.91Å; D44-T49 PolarHBondContact OD2-OG1 3.19Å
45	W	84.9	Confident	82.8	Confident	248 Å²	248	111.7 Å²	111.7	94%	0.939	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-15.5	179.3	60.2	87.3	0	0	0	113.1
46	T	86.3	Confident	82.3	Confident	95 Å²	95	104.3 Å²	104.3	58%	0.583	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-14.9	174.6	73	0	0	0	0	112.9	D44 A48	D44-T46 PolarHBondContact O-N 3.22Å; D44-T46 WeakPolarHBondContact OD1-CA 3.34Å; D44-T46 WeakPolarHBondContact OD1-CB 3.01Å; D44-T46 PolarHBondContact OD1-N 3.25Å; D44-T46 PolarHBondContact OD1-OG1 3.13Å; D44-T46 PolarHBondContact OD2-OG1 3.12Å; T46-A48 PolarHBondContact O-N 2.82Å
47	G	81.8	Confident	81.9	Confident	57 Å²	57	106.4 Å²	106.4	59%	0.588	55%	0.552	S	S	*	*			trans	68.7	11.1	-179.1	0	0	0	0	0	115.4	D44	D44-G47 PolarHBondContact O-N 3.43Å; D44-G47 PolarHBondContact OD1-N 3.06Å
48	A	81.7	Confident	81.8	Confident	59 Å²	59	108.4 Å²	108.4	49%	0.488	56%	0.558	S	S	.	*			trans	-82.8	-25.4	-172.4	0	0	0	0	0	113.7	D44 T46 Y50	D44-A48 PolarHBondContact OD2-N 2.81Å; T46-A48 PolarHBondContact O-N 2.82Å; A48-Y50 PolarHBondContact O-N 2.74Å
49	T	78.3	Confident	81.7	Confident	81 Å²	81	104 Å²	104	50%	0.497	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.9	-172.3	-59.8	0	0	0	0	114.2	D44	D44-T49 VanDerWaalsContact OD2-CB 3.24Å; D44-T49 WeakPolarHBondContact OD2-CB 3.47Å; D44-T49 PolarHBondContact OD2-N 2.91Å; D44-T49 PolarHBondContact OD2-OG1 3.19Å
50	Y	75.1	Confident	81.5	Confident	59 Å²	59	100.7 Å²	100.7	23%	0.231	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	59.2	-172.7	-58.8	-77.7	0	0	0	113.9	K41 V42 A48 D52 T56	K41-Y50 WeakPolarHBondContact CG-OH 3.05Å; V42-Y50 WeakPolarHBondContact CA-OH 3.29Å; V42-Y50 WeakPolarHBondContact CB-OH 3.45Å; V42-Y50 PolarHBondContact N-OH 3.33Å; V42-Y50 WeakPolarHBondContact O-CE2 3.39Å; V42-Y50 PolarHBondContact O-OH 3.22Å; A48-Y50 PolarHBondContact O-N 2.74Å; Y50-D52 PolarHBondContact O-N 2.83Å; Y50-T56 HydrophobicContact CD1-CG2 3.7Å; Y50-T56 HydrophobicContact CD2-CG2 4.33Å; Y50-T56 HydrophobicContact CE1-CG2 4.29Å; Y50-T56 HydrophobicContact CG-CG2 3.71Å
51	Q	67.9	Low	81.4	Confident	184 Å²	184	100 Å²	100	86%	0.86	52%	0.518	S	S	*	.	S	Bend	trans	-63.6	-26.2	172.9	-64.3	-159.9	-6.6	0	0	113.2
52	D	72.3	Confident	81	Confident	52 Å²	52	103 Å²	103	28%	0.278	53%	0.533	S	S	.	.	S	Bend	trans	-105.9	107.5	176.4	-170	-13.4	0	0	0	111.4	Y50 R54 Y55	Y50-D52 PolarHBondContact O-N 2.83Å; D52-R54 PolarHBondContact O-N 3.44Å; D52-R54 VanDerWaalsContact OD1-CB 3.31Å; D52-R54 WeakPolarHBondContact OD1-CB 3.42Å; D52-R54 VanDerWaalsContact OD1-CG 3.31Å; D52-R54 WeakPolarHBondContact OD1-CG 3.3Å; D52-R54 IonicContact OD1-CZ 3.7Å; D52-R54 PolarHBondContact OD1-N 3.48Å; D52-R54 VanDerWaalsContact OD1-N 3.08Å; D52-R54 IonicContact OD1-NE 3.24Å; D52-R54 PolarHBondContact OD1-NE 3.43Å; D52-R54 IonicContact OD1-NH2 3.09Å; D52-R54 IonicContact OD2-CZ 3.89Å; D52-R54 VanDerWaalsContact OD2-CZ 3.24Å; D52-R54 IonicContact OD2-NE 3Å; D52-R54 PolarHBondContact OD2-NE 3.4Å; D52-R54 IonicContact OD2-NH2 2.98Å; D52-R54 PolarHBondContact OD2-NH2 3.04Å; D52-Y55 HydrophobicContact CB-CD2 4.05Å; D52-Y55 HydrophobicContact CB-CE2 4.23Å; D52-Y55 PolarHBondContact O-N 2.91Å
53	K	73.2	Confident	80.5	Confident	167 Å²	167	106.2 Å²	106.2	73%	0.726	54%	0.541	S	S	*	.	H	α-helix	trans	-60.7	-10.2	-179.8	-65.6	-175.9	177.4	-177.4	0	114.1	Y55 T56	K53-Y55 VanDerWaalsContact C-N 3.25Å; K53-Y55 PolarHBondContact O-N 3.28Å; K53-T56 PolarHBondContact O-OG1 3.46Å
54	R	75.9	Confident	79.6	Confident	178 Å²	178	102.6 Å²	102.6	67%	0.672	51%	0.513	S	S	*	.	H	α-helix	trans	-68	-24	175.6	-68.5	-179.7	-72.7	-170.5	-1.4	113.2	D52	D52-R54 PolarHBondContact O-N 3.44Å; D52-R54 VanDerWaalsContact OD1-CB 3.31Å; D52-R54 WeakPolarHBondContact OD1-CB 3.42Å; D52-R54 VanDerWaalsContact OD1-CG 3.31Å; D52-R54 WeakPolarHBondContact OD1-CG 3.3Å; D52-R54 IonicContact OD1-CZ 3.7Å; D52-R54 PolarHBondContact OD1-N 3.48Å; D52-R54 VanDerWaalsContact OD1-N 3.08Å; D52-R54 IonicContact OD1-NE 3.24Å; D52-R54 PolarHBondContact OD1-NE 3.43Å; D52-R54 IonicContact OD1-NH2 3.09Å; D52-R54 IonicContact OD2-CZ 3.89Å; D52-R54 VanDerWaalsContact OD2-CZ 3.24Å; D52-R54 IonicContact OD2-NE 3Å; D52-R54 PolarHBondContact OD2-NE 3.4Å; D52-R54 IonicContact OD2-NH2 2.98Å; D52-R54 PolarHBondContact OD2-NH2 3.04Å
55	Y	76.9	Confident	79.1	Confident	128 Å²	128	104.7 Å²	104.7	50%	0.502	54%	0.544	S	S	.	.	H	α-helix	trans	-81.3	-37.9	178.4	-69.3	-82.3	0	0	0	112.4	D52 K53 N57 K58 Y59	D52-Y55 HydrophobicContact CB-CD2 4.05Å; D52-Y55 HydrophobicContact CB-CE2 4.23Å; D52-Y55 PolarHBondContact O-N 2.91Å; K53-Y55 VanDerWaalsContact C-N 3.25Å; K53-Y55 PolarHBondContact O-N 3.28Å; Y55-N57 VanDerWaalsContact C-N 3.32Å; Y55-N57 PolarHBondContact O-N 3.24Å; Y55-K58 WeakPolarHBondContact O-CB 3.4Å; Y55-K58 PolarHBondContact O-N 3.15Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.46Å; Y55-Y59 WeakPolarHBondContact O-CE2 3.27Å
56	T	77.9	Confident	79	Confident	36 Å²	36	94.8 Å²	94.8	22%	0.221	52%	0.519	C	S	.	.	H	α-helix	trans	-64.9	-36.4	-180	51.6	0	0	0	0	112.2	Y50 K53 K58 Y59	Y50-T56 HydrophobicContact CD1-CG2 3.7Å; Y50-T56 HydrophobicContact CD2-CG2 4.33Å; Y50-T56 HydrophobicContact CE1-CG2 4.29Å; Y50-T56 HydrophobicContact CG-CG2 3.71Å; K53-T56 PolarHBondContact O-OG1 3.46Å; T56-K58 PolarHBondContact O-N 3.49Å; T56-Y59 PolarHBondContact O-N 2.66Å
57	N	81.3	Confident	79.1	Confident	117 Å²	117	93.9 Å²	93.9	63%	0.626	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.6	179.2	-68.4	-8.1	0	0	0	113.8	Y55 Y59	Y55-N57 VanDerWaalsContact C-N 3.32Å; Y55-N57 PolarHBondContact O-N 3.24Å; N57-Y59 PolarHBondContact O-N 3.49Å
58	K	84.2	Confident	79.5	Confident	97 Å²	97	97 Å²	97	42%	0.422	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-74.1	-16.2	178.2	-63.6	177.5	-177.3	174.2	0	113.5	Y55 T56	Y55-K58 WeakPolarHBondContact O-CB 3.4Å; Y55-K58 PolarHBondContact O-N 3.15Å; T56-K58 PolarHBondContact O-N 3.49Å
59	Y	86.6	Confident	80	Confident	59 Å²	59	100.5 Å²	100.5	23%	0.231	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-110.1	5	-178	-53.5	-79.6	0	0	0	112	R38 G40 K41 Y55 T56 N57 S61	R38-Y59 HydrophobicContact CG-CD1 4.31Å; R38-Y59 HydrophobicContact CG-CE1 4.04Å; R38-Y59 WeakPolarHBondContact O-CD1 3.24Å; G40-Y59 PolarHBondContact O-OH 3.42Å; K41-Y59 HydrophobicContact CB-CD1 4.01Å; K41-Y59 HydrophobicContact CB-CD2 4.15Å; K41-Y59 HydrophobicContact CB-CE1 4.45Å; K41-Y59 HydrophobicContact CB-CG 3.83Å; K41-Y59 HydrophobicContact CD-CG 4.43Å; K41-Y59 HydrophobicContact CG-CD2 4.21Å; K41-Y59 HydrophobicContact CG-CG 4.27Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.46Å; Y55-Y59 WeakPolarHBondContact O-CE2 3.27Å; T56-Y59 PolarHBondContact O-N 2.66Å; N57-Y59 PolarHBondContact O-N 3.49Å; Y59-S61 PolarHBondContact O-N 3.47Å
60	S	85.6	Confident	80.6	Confident	85 Å²	85	99 Å²	99	59%	0.594	51%	0.513	S	S	*	.	S	Bend	trans	-74.7	122.9	170.8	-170.2	0	0	0	0	108.3	Q62	S60-Q62 PolarHBondContact O-N 3.06Å
61	S	84.6	Confident	81.4	Confident	46 Å²	46	105.2 Å²	105.2	32%	0.322	54%	0.538	S	S	.	.			trans	-65.2	136	171.1	-169.4	0	0	0	0	109.3	D37 Y59 F63	D37-S61 WeakPolarHBondContact OD2-CA 2.89Å; D37-S61 VanDerWaalsContact OD2-CB 3.29Å; D37-S61 WeakPolarHBondContact OD2-CB 3.29Å; D37-S61 PolarHBondContact OD2-OG 3.1Å; Y59-S61 PolarHBondContact O-N 3.47Å; S61-F63 PolarHBondContact OG-O 3.47Å
62	Q	80.6	Confident	82.4	Confident	193 Å²	193	103.7 Å²	103.7	90%	0.902	53%	0.529	S	S	*	.	S	Bend	trans	-83.5	-18.4	176.4	-68.2	-174.1	-8.6	0	0	112	S60	S60-Q62 PolarHBondContact O-N 3.06Å
63	F	78.9	Confident	83.2	Confident	153 Å²	153	106 Å²	106	67%	0.671	54%	0.538	S	S	*	.	S	Bend	trans	-147.5	126.9	-176.6	-178.2	-93.3	0	0	0	109.9	S61	S61-F63 PolarHBondContact OG-O 3.47Å
64	G	71.4	Confident	83.7	Confident	19 Å²	19	107.5 Å²	107.5	20%	0.196	55%	0.547	C	S	.	.			trans	97.2	42.6	178.1	0	0	0	0	0	115.1	P32 G66	P32-G64 VanDerWaalsContact O-O 3.1Å; G64-G66 PolarHBondContact O-N 3.17Å
65	G	76.4	Confident	84	Confident	85 Å²	85	104.8 Å²	104.8	88%	0.876	54%	0.542	S	S	*	.			trans	-67.5	114.9	168.4	0	0	0	0	0	110.8
66	G	82.8	Confident	83.9	Confident	41 Å²	41	105.6 Å²	105.6	42%	0.423	56%	0.555	S	S	.	*			trans	-145.9	154	175.8	0	0	0	0	0	111.1	Q31 G64	Q31-G66 PolarHBondContact NE2-O 3.07Å; Q31-G66 VanDerWaalsContact NE2-O 3.13Å; G64-G66 PolarHBondContact O-N 3.17Å
67	S	88	Confident	84.1	Confident	75 Å²	75	110.3 Å²	110.3	52%	0.524	57%	0.574	S	S	.	*			trans	-126.3	26.7	-179	64.6	0	0	0	0	111.8	Y69 A70	S67-Y69 VanDerWaalsContact C-N 3.27Å; S67-A70 WeakPolarHBondContact O-CB 3.23Å; S67-A70 PolarHBondContact O-N 3.48Å
68	Q	90.6	Very high	84.1	Confident	124 Å²	124	112 Å²	112	58%	0.579	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-32.6	177.8	-71.7	-149.1	-12.1	0	0	111.4	P29 Y30 Q31	P29-Q68 HydrophobicContact CB-CB 4.42Å; Y30-Q68 PolarHBondContact O-OE1 3.39Å; Q31-Q68 VanDerWaalsContact OE1-N 3.11Å
69	Y	90.6	Very high	84.2	Confident	131 Å²	131	110.7 Å²	110.7	51%	0.514	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102	44.2	172.6	-58.6	-73.9	0	0	0	111.8	M28 P29 Q31 S67	M28-Y69 WeakPolarHBondContact CG-OH 3.29Å; P29-Y69 HydrophobicContact CB-CE1 4.13Å; P29-Y69 HydrophobicContact CB-CE2 4.32Å; P29-Y69 WeakPolarHBondContact CD-OH 3.42Å; P29-Y69 HydrophobicContact CG-CE1 4.1Å; P29-Y69 VanDerWaalsContact O-CE2 3.24Å; P29-Y69 WeakPolarHBondContact O-CE2 3.39Å; P29-Y69 VanDerWaalsContact O-CZ 3.3Å; P29-Y69 PolarHBondContact O-OH 3.18Å; Q31-Y69 HydrophobicContact CB-CD2 3.98Å; Q31-Y69 HydrophobicContact CB-CE2 3.95Å; S67-Y69 VanDerWaalsContact C-N 3.27Å
70	A	91.1	Very high	84	Confident	50 Å²	50	115.1 Å²	115.1	41%	0.413	61%	0.613	S	S	.	*			trans	-115.4	137.1	177.9	0	0	0	0	0	110.9	S67 F72	S67-A70 WeakPolarHBondContact O-CB 3.23Å; S67-A70 PolarHBondContact O-N 3.48Å; A70-F72 HydrophobicContact CB-CD2 4.43Å; A70-F72 HydrophobicContact CB-CE2 3.78Å; A70-F72 HydrophobicContact CB-CZ 4.28Å
71	Y	91.5	Very high	83.9	Confident	190 Å²	190	119.5 Å²	119.5	75%	0.745	62%	0.624	S	S	*	*			trans	-100.2	127.1	169.5	178.2	-105.6	0	0	0	109.2	H73	Y71-H73 HydrophobicContact CD1-CB 4.47Å; Y71-H73 HydrophobicContact CE1-CB 3.73Å; Y71-H73 AromaticContact CE1-ND1 3.75Å; Y71-H73 AromaticContact CZ-ND1 3.75Å; Y71-H73 PolarHBondContact OH-ND1 3.18Å
72	F	90.2	Very high	83.8	Confident	152 Å²	152	125.8 Å²	125.8	67%	0.667	65%	0.654	S	S	*	*			trans	-110	113.9	172.9	-66.9	-89	0	0	0	107.9	A70 E74	A70-F72 HydrophobicContact CB-CD2 4.43Å; A70-F72 HydrophobicContact CB-CE2 3.78Å; A70-F72 HydrophobicContact CB-CZ 4.28Å; F72-E74 PolarHBondContact O-N 3.36Å
73	H	88.2	Confident	83.4	Confident	101 Å²	101	122.2 Å²	122.2	47%	0.468	65%	0.645	S	S	.	*			trans	-81.9	111.6	173.7	-161.2	60.3	0	0	0	108.3	Y71 E75 D76	Y71-H73 HydrophobicContact CD1-CB 4.47Å; Y71-H73 HydrophobicContact CE1-CB 3.73Å; Y71-H73 AromaticContact CE1-ND1 3.75Å; Y71-H73 AromaticContact CZ-ND1 3.75Å; Y71-H73 PolarHBondContact OH-ND1 3.18Å; H73-E75 VanDerWaalsContact CD2-C 3.45Å; H73-E75 PolarHBondContact CD2-O 3.14Å; H73-E75 PolarHBondContact O-N 3.49Å; H73-D76 HydrophobicContact CB-CB 4.33Å; H73-D76 PolarHBondContact CD2-N 3.41Å
74	E	84	Confident	82.7	Confident	198 Å²	198	120.4 Å²	120.4	93%	0.925	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-25.7	-176.2	-64.4	-171.9	164.9	0	0	112.5	F72	F72-E74 PolarHBondContact O-N 3.36Å
75	E	82.6	Confident	82.5	Confident	121 Å²	121	126 Å²	126	57%	0.565	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	44.9	-178.9	-59.4	-174	175.3	0	0	112.2	H73 E77	H73-E75 VanDerWaalsContact CD2-C 3.45Å; H73-E75 PolarHBondContact CD2-O 3.14Å; H73-E75 PolarHBondContact O-N 3.49Å; E75-E77 PolarHBondContact O-N 3.2Å
76	D	75.8	Confident	81.8	Confident	144 Å²	144	124.6 Å²	124.6	77%	0.77	65%	0.653	S	S	*	*			trans	-72.2	60.7	175.3	-164.4	19.5	0	0	0	112.2	H73	H73-D76 HydrophobicContact CB-CB 4.33Å; H73-D76 PolarHBondContact CD2-N 3.41Å
77	E	82	Confident	80.1	Confident	135 Å²	135	134 Å²	134	63%	0.631	68%	0.675	S	S	*	*			trans	-125.2	138.8	-178.4	-62.7	-169.8	169.8	0	0	111.5	E75 S79	E75-E77 PolarHBondContact O-N 3.2Å; E77-S79 VanDerWaalsContact CB-OG 3.29Å; E77-S79 WeakPolarHBondContact CB-OG 3.48Å; E77-S79 PolarHBondContact O-N 3.2Å; E77-S79 VanDerWaalsContact O-N 3.1Å; E77-S79 WeakPolarHBondContact OE2-CB 3.21Å; E77-S79 PolarHBondContact OE2-OG 3.07Å
78	T	79.9	Confident	78.2	Confident	153 Å²	153	136.4 Å²	136.4	94%	0.939	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	26.8	169.3	64.7	0	0	0	0	112
79	S	85.8	Confident	76.3	Confident	70 Å²	70	139.2 Å²	139.2	49%	0.49	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-26.7	-174	53.5	0	0	0	0	112.2	E77	E77-S79 VanDerWaalsContact CB-OG 3.29Å; E77-S79 WeakPolarHBondContact CB-OG 3.48Å; E77-S79 PolarHBondContact O-N 3.2Å; E77-S79 VanDerWaalsContact O-N 3.1Å; E77-S79 WeakPolarHBondContact OE2-CB 3.21Å; E77-S79 PolarHBondContact OE2-OG 3.07Å
80	F	83.4	Confident	74	Confident	151 Å²	151	141.1 Å²	141.1	66%	0.662	71%	0.711	S	S	*	*			trans	-71.2	130.4	175	-69.2	-89.8	0	0	0	111.8
81	Q	82.9	Confident	71.7	Confident	178 Å²	178	144 Å²	144	83%	0.832	72%	0.724	S	S	*	*			trans	-99.3	130	169.8	-66.3	-178.4	4.3	0	0	108.9	V83	Q81-V83 PolarHBondContact O-N 3.11Å; Q81-V83 VanDerWaalsContact O-N 3.16Å
82	L	82.4	Confident	69.6	Low	178 Å²	178	139.2 Å²	139.2	93%	0.932	72%	0.723	S	S	*	*			trans	-68.1	112.6	173.8	-173.4	67.4	0	0	0	109.1	D84	L82-D84 PolarHBondContact O-N 3.47Å
83	V	73.5	Confident	67.8	Low	118 Å²	118	141.4 Å²	141.4	72%	0.715	73%	0.728	S	S	*	*			trans	-80.2	110.6	176.7	-178.8	0	0	0	0	108.5	Q81 T85	Q81-V83 PolarHBondContact O-N 3.11Å; Q81-V83 VanDerWaalsContact O-N 3.16Å; V83-T85 PolarHBondContact O-N 2.92Å
84	D	64.5	Low	65.9	Low	115 Å²	115	143.4 Å²	143.4	62%	0.615	74%	0.738	S	S	*	*			trans	-70.9	109.3	173.1	-172.1	5.5	0	0	0	109.9	L82 A86	L82-D84 PolarHBondContact O-N 3.47Å; D84-A86 VanDerWaalsContact C-N 3.27Å; D84-A86 WeakPolarHBondContact OD1-CA 3.11Å; D84-A86 WeakPolarHBondContact OD1-CB 3.47Å; D84-A86 PolarHBondContact OD1-N 3.39Å
85	T	66.4	Low	64.2	Low	136 Å²	136	145.2 Å²	145.2	83%	0.834	74%	0.736	S	S	*	*			trans	-83.2	-5	172.8	55.8	0	0	0	0	112.3	V83 R87	V83-T85 PolarHBondContact O-N 2.92Å; T85-R87 PolarHBondContact O-N 3.3Å
86	A	61	Low	62.3	Low	56 Å²	56	143.8 Å²	143.8	46%	0.463	73%	0.733	S	S	.	*	S	Bend	trans	-61.7	125.1	169.5	0	0	0	0	0	108.2	D84 T88	D84-A86 VanDerWaalsContact C-N 3.27Å; D84-A86 WeakPolarHBondContact OD1-CA 3.11Å; D84-A86 WeakPolarHBondContact OD1-CB 3.47Å; D84-A86 PolarHBondContact OD1-N 3.39Å; A86-T88 PolarHBondContact O-N 2.88Å
87	R	48.3	Very low	61	Low	239 Å²	239	147.5 Å²	147.5	90%	0.902	74%	0.736	S	S	*	*			trans	-50.5	110.5	167.8	-88.8	-176.8	173.9	-179.9	1.2	107.2	T85 Q89	T85-R87 PolarHBondContact O-N 3.3Å; R87-Q89 VanDerWaalsContact C-N 3.33Å; R87-Q89 PolarHBondContact O-N 3.22Å
88	T	47.3	Very low	59.3	Low	125 Å²	125	148.8 Å²	148.8	77%	0.767	74%	0.744	S	S	*	*			trans	-56.1	101	175.3	-19.6	0	0	0	0	106.7	A86 K90	A86-T88 PolarHBondContact O-N 2.88Å; T88-K90 VanDerWaalsContact C-N 3.31Å; T88-K90 PolarHBondContact O-N 3.34Å
89	Q	50.8	Low	57.7	Low	183 Å²	183	150.4 Å²	150.4	86%	0.855	73%	0.733	S	S	*	*			trans	-64	103.1	171.8	-86.1	-163.7	-8	0	0	105.4	R87 T91	R87-Q89 VanDerWaalsContact C-N 3.33Å; R87-Q89 PolarHBondContact O-N 3.22Å; Q89-T91 PolarHBondContact O-N 3.31Å
90	K	42.2	Very low	55.8	Low	171 Å²	171	153.6 Å²	153.6	74%	0.743	74%	0.738	S	S	*	*			trans	-53.1	109	174.2	-70.3	-175.8	-179.8	178.5	0	106.9	T88 A92	T88-K90 VanDerWaalsContact C-N 3.31Å; T88-K90 PolarHBondContact O-N 3.34Å; K90-A92 PolarHBondContact O-N 3.17Å
91	T	43.5	Very low	54.2	Low	110 Å²	110	149.1 Å²	149.1	68%	0.675	73%	0.729	S	S	*	*			trans	-51.3	133	172.9	22.1	0	0	0	0	108	Q89 Y93 Q94	Q89-T91 PolarHBondContact O-N 3.31Å; T91-Y93 PolarHBondContact O-N 3.41Å; T91-Q94 PolarHBondContact O-N 3.28Å; T91-Q94 VanDerWaalsContact O-N 3.13Å
92	A	47.3	Very low	52.7	Low	89 Å²	89	147.5 Å²	147.5	74%	0.736	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-54.4	-7.8	-177	0	0	0	0	0	114.4	K90 Q94 R95	K90-A92 PolarHBondContact O-N 3.17Å; A92-Q94 VanDerWaalsContact C-N 3.29Å; A92-Q94 PolarHBondContact O-N 3.42Å; A92-R95 PolarHBondContact O-N 2.87Å
93	Y	51.2	Low	51	Low	198 Å²	198	147.6 Å²	147.6	78%	0.776	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-63.8	-26.5	173.9	-131.6	-93.2	0	0	0	114.2	T91 N96	T91-Y93 PolarHBondContact O-N 3.41Å; Y93-N96 PolarHBondContact O-N 3.19Å
94	Q	49.9	Very low	49.8	Very low	143 Å²	143	147.1 Å²	147.1	67%	0.668	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-77.7	-17.6	177.3	-75.8	-167	-13.9	0	0	114	T91 A92 N96	T91-Q94 PolarHBondContact O-N 3.28Å; T91-Q94 VanDerWaalsContact O-N 3.13Å; A92-Q94 VanDerWaalsContact C-N 3.29Å; A92-Q94 PolarHBondContact O-N 3.42Å; Q94-N96 VanDerWaalsContact C-N 3.31Å
95	R	47.8	Very low	49.2	Very low	236 Å²	236	147.9 Å²	147.9	89%	0.891	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-76.8	-14.9	172	-98.3	-177.7	-168.1	157.8	4.9	113.7	A92	A92-R95 PolarHBondContact O-N 2.87Å
96	N	43.2	Very low	48.5	Very low	92 Å²	92	151.1 Å²	151.1	49%	0.492	70%	0.703	S	S	.	*	G	3₁₀ helix	trans	-101.2	6	-173	-128.1	-0.2	0	0	0	114.7	Y93 Q94 M98 R99	Y93-N96 PolarHBondContact O-N 3.19Å; Q94-N96 VanDerWaalsContact C-N 3.31Å; N96-M98 PolarHBondContact O-N 2.77Å; N96-R99 PolarHBondContact O-N 3.27Å
97	R	47.1	Very low	48.1	Very low	221 Å²	221	157.8 Å²	157.8	83%	0.834	72%	0.716	S	S	*	*	H	α-helix	trans	-64.3	-19.9	174.8	-121.8	-179.8	-176.2	-179.9	1.6	113
98	M	46.6	Very low	48.1	Very low	163 Å²	163	151.4 Å²	151.4	80%	0.803	70%	0.7	S	S	*	*	H	α-helix	trans	-82.9	-9.7	177	-82.1	-70.2	-145	0	0	115.2	N96	N96-M98 PolarHBondContact O-N 2.77Å
99	R	46.9	Very low	48.3	Very low	187 Å²	187	153.3 Å²	153.3	71%	0.706	70%	0.698	S	S	*	*	H	α-helix	trans	-94.7	-16.4	176.3	-85.7	-171.8	175.5	-175.7	1.3	114.6	N96	N96-R99 PolarHBondContact O-N 3.27Å
100	F	46.4	Very low	48.2	Very low	136 Å²	136	150.2 Å²	150.2	60%	0.596	69%	0.687	S	S	*	*	H	α-helix	trans	-76.6	-25.3	174.7	-97.3	-88.7	0	0	0	113.2	R103	F100-R103 PolarHBondContact O-N 3.34Å
101	A	50	Low	48.6	Very low	58 Å²	58	150.9 Å²	150.9	48%	0.479	69%	0.685	S	S	.	*	H	α-helix	trans	-67.2	-35.1	174.1	0	0	0	0	0	112.5	R103 L105	A101-R103 PolarHBondContact O-N 3.5Å; A101-L105 WeakPolarHBondContact O-CD1 3.31Å
102	Q	50.1	Low	49	Very low	143 Å²	143	155.7 Å²	155.7	67%	0.668	69%	0.691	S	S	*	*	H	α-helix	trans	-77	-17.6	178.6	-82.9	-179.2	-16.4	0	0	114.5
103	R	47.5	Very low	49	Very low	180 Å²	180	157.6 Å²	157.6	68%	0.679	69%	0.689	S	S	*	*	H	α-helix	trans	-81.3	-25.9	177.7	-168.9	174.3	163.5	-174.9	-3.9	112.8	F100 A101	F100-R103 PolarHBondContact O-N 3.34Å; A101-R103 PolarHBondContact O-N 3.5Å
104	N	48.2	Very low	48.9	Very low	109 Å²	109	155.6 Å²	155.6	58%	0.583	69%	0.689	S	S	*	*	H	α-helix	trans	-75.3	-31	173.9	-82.9	-8.1	0	0	0	112.5	R106 R107 D108	N104-R106 PolarHBondContact O-N 3.45Å; N104-R107 PolarHBondContact O-N 2.73Å; N104-D108 PolarHBondContact O-N 2.84Å
105	L	52.4	Low	48.8	Very low	131 Å²	131	154.2 Å²	154.2	69%	0.686	69%	0.689	S	S	*	*	H	α-helix	trans	-70.4	-24.7	175.6	-86.6	112.4	0	0	0	114.5	A101	A101-L105 WeakPolarHBondContact O-CD1 3.31Å
106	R	50.2	Low	48.9	Very low	203 Å²	203	151.2 Å²	151.2	77%	0.766	69%	0.686	S	S	*	*	H	α-helix	trans	-78.3	-27	172.8	-80.3	-174.6	175.8	-177.4	-1.2	112.9	N104 K109 D110	N104-R106 PolarHBondContact O-N 3.45Å; R106-K109 PolarHBondContact O-N 3.4Å; R106-D110 PolarHBondContact O-N 3.13Å
107	R	52.5	Low	48.9	Very low	196 Å²	196	156.3 Å²	156.3	74%	0.74	70%	0.704	S	S	*	*	H	α-helix	trans	-76.1	-27.7	-179.5	-135.5	179	-176.1	-174.4	-0.8	113	N104 R111	N104-R107 PolarHBondContact O-N 2.73Å; R107-R111 PolarHBondContact O-N 2.75Å
108	D	49.9	Very low	48.9	Very low	105 Å²	105	153.2 Å²	153.2	56%	0.561	70%	0.704	S	S	*	*	H	α-helix	trans	-78.4	-24.6	172.8	-85	-43.7	0	0	0	113.4	N104 R112	N104-D108 PolarHBondContact O-N 2.84Å; D108-R112 PolarHBondContact O-N 3.31Å
109	K	50	Low	49	Very low	165 Å²	165	153 Å²	153	72%	0.717	71%	0.705	S	S	*	*	H	α-helix	trans	-73.4	-35	174.8	-150.5	173.2	-175.8	177.8	0	112.1	R106	R106-K109 PolarHBondContact O-N 3.4Å
110	D	48.9	Very low	48.9	Very low	118 Å²	118	153 Å²	153	63%	0.631	71%	0.713	S	S	*	*	H	α-helix	trans	-77.2	-23.3	174.4	-72.6	-26.8	0	0	0	113.3	R106	R106-D110 PolarHBondContact O-N 3.13Å
111	R	51.3	Low	49	Very low	186 Å²	186	153.4 Å²	153.4	70%	0.702	73%	0.727	S	S	*	*	H	α-helix	trans	-77	-25.5	176.2	-158.1	177.1	176.6	-149.1	-2.1	112.8	R107	R107-R111 PolarHBondContact O-N 2.75Å
112	R	50.7	Low	49.1	Very low	210 Å²	210	156.4 Å²	156.4	79%	0.792	73%	0.734	S	S	*	*	H	α-helix	trans	-75.3	-29.2	173.6	-85.1	-178.3	175.6	170.2	-0.3	113.5	D108 M114	D108-R112 PolarHBondContact O-N 3.31Å; R112-M114 VanDerWaalsContact C-N 3.31Å; R112-M114 PolarHBondContact O-N 3.44Å
113	N	47.5	Very low	49.4	Very low	129 Å²	129	153.7 Å²	153.7	69%	0.69	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-7.1	176	-80.5	-0.7	0	0	0	114.2
114	M	48.9	Very low	49.8	Very low	157 Å²	157	154.5 Å²	154.5	77%	0.773	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	10	176.6	-127.1	-157.4	87.8	0	0	113.9	R112	R112-M114 VanDerWaalsContact C-N 3.31Å; R112-M114 PolarHBondContact O-N 3.44Å
115	V	49.5	Very low	50.1	Low	113 Å²	113	153.6 Å²	153.6	69%	0.685	74%	0.74	S	S	*	*	S	Bend	trans	-101	-7	177.5	-178.9	0	0	0	0	112.2
116	Q	48.2	Very low	50.3	Low	174 Å²	174	149.4 Å²	149.4	81%	0.813	72%	0.724	S	S	*	*	S	Bend	trans	-99.7	1.6	178.8	-84	-171.2	-34.4	0	0	116
117	F	43.3	Very low	50.6	Low	198 Å²	198	146.5 Å²	146.5	87%	0.868	72%	0.717	S	S	*	*			trans	-116.2	60.3	174.6	-106.9	-88	0	0	0	111.1
118	N	47	Very low	50.8	Low	156 Å²	156	143.7 Å²	143.7	83%	0.834	71%	0.712	S	S	*	*			trans	-112.2	63.4	174.5	-141.4	24.4	0	0	0	109.8
119	L	48.6	Very low	51.3	Low	159 Å²	159	146.5 Å²	146.5	83%	0.832	72%	0.719	S	S	*	*			trans	-161.6	76.2	162.2	-153.1	76.4	0	0	0	111.7
120	Q	46.5	Very low	51.6	Low	187 Å²	187	143.8 Å²	143.8	87%	0.874	71%	0.709	S	S	*	*			trans	-170.6	119.2	147.1	-106.1	158.5	17.5	0	0	110.9	L122	Q120-L122 PolarHBondContact O-N 3.24Å; Q120-L122 VanDerWaalsContact O-N 3.09Å
121	T	48.7	Very low	52.2	Low	145 Å²	145	147.8 Å²	147.8	89%	0.89	72%	0.715	S	S	*	*			trans	-70.3	96.7	178.3	46.8	0	0	0	0	110.5
122	L	51.3	Low	52.7	Low	120 Å²	120	144.6 Å²	144.6	63%	0.628	71%	0.709	S	S	*	*			trans	-72	134.9	168.7	-80.9	150	0	0	0	110.8	Q120	Q120-L122 PolarHBondContact O-N 3.24Å; Q120-L122 VanDerWaalsContact O-N 3.09Å
123	P	57.2	Low	53.4	Low	87 Å²	87	142.6 Å²	142.6	57%	0.565	70%	0.701	S	S	*	*			trans	-64.1	146.9	-178	22.8	-30.5	0	0	0	112.5	S125 A126	P123-S125 PolarHBondContact O-N 3.45Å; P123-A126 PolarHBondContact O-N 3.34Å; P123-A126 VanDerWaalsContact O-N 3.14Å
124	K	55.5	Low	54.1	Low	196 Å²	196	140.3 Å²	140.3	85%	0.852	69%	0.688	S	S	*	*	H	α-helix	trans	-55.5	-21.5	-168.5	-73.7	-179.4	175.7	176	0	115.1
125	S	54.2	Low	55	Low	90 Å²	90	142.4 Å²	142.4	63%	0.629	69%	0.687	S	S	*	*	H	α-helix	trans	-75.4	-29	-179.9	59.1	0	0	0	0	114.2	P123	P123-S125 PolarHBondContact O-N 3.45Å
126	A	55.7	Low	55.6	Low	44 Å²	44	142.7 Å²	142.7	36%	0.364	68%	0.684	S	S	.	*	H	α-helix	trans	-75.7	-35.1	-178.5	0	0	0	0	0	112.6	P123 Q128 E130	P123-A126 PolarHBondContact O-N 3.34Å; P123-A126 VanDerWaalsContact O-N 3.14Å; A126-Q128 VanDerWaalsContact C-N 3.26Å; A126-Q128 PolarHBondContact O-N 3.39Å; A126-E130 PolarHBondContact O-N 3.48Å
127	K	56.7	Low	56.3	Low	142 Å²	142	140.4 Å²	140.4	62%	0.617	67%	0.674	S	S	*	*	H	α-helix	trans	-66.4	-24.8	177.9	-80.6	-177.9	174.8	175.1	0	113.5	R131	K127-R131 PolarHBondContact O-N 3.39Å
128	Q	58.1	Low	57.2	Low	136 Å²	136	137.5 Å²	137.5	64%	0.636	66%	0.661	S	S	*	*	H	α-helix	trans	-79.7	-42.1	-179.2	-162.5	165.8	-2.2	0	0	111.8	A126 E130 R131 E132	A126-Q128 VanDerWaalsContact C-N 3.26Å; A126-Q128 PolarHBondContact O-N 3.39Å; Q128-E130 VanDerWaalsContact C-N 3.33Å; Q128-E130 PolarHBondContact O-N 3.44Å; Q128-R131 PolarHBondContact O-N 3.33Å; Q128-E132 PolarHBondContact O-N 3.42Å
129	K	59.3	Low	57.6	Low	164 Å²	164	137.8 Å²	137.8	71%	0.713	66%	0.655	S	S	*	*	H	α-helix	trans	-61.8	-37.7	173.4	-92.6	-177.7	173.3	179.3	0	112.8	E132 R133	K129-E132 PolarHBondContact O-N 3.15Å; K129-R133 PolarHBondContact O-N 3.25Å
130	E	56.4	Low	57.9	Low	108 Å²	108	136.4 Å²	136.4	51%	0.505	64%	0.642	S	S	.	*	H	α-helix	trans	-73.1	-35.4	178.6	-169.3	147.1	-155.6	0	0	112.7	A126 Q128 R133 I134	A126-E130 PolarHBondContact O-N 3.48Å; Q128-E130 VanDerWaalsContact C-N 3.33Å; Q128-E130 PolarHBondContact O-N 3.44Å; E130-R133 PolarHBondContact O-N 2.76Å; E130-I134 HydrophobicContact CG-CD1 4.19Å; E130-I134 VanDerWaalsContact O-CG1 3.3Å; E130-I134 WeakPolarHBondContact O-CG1 3.47Å; E130-I134 PolarHBondContact O-N 3.32Å
131	R	61.2	Low	58.4	Low	202 Å²	202	134.3 Å²	134.3	76%	0.762	63%	0.632	S	S	*	*	H	α-helix	trans	-63.4	-38.5	170.3	-94.9	-177.8	168.7	-173	-2.4	112.6	K127 Q128 R135	K127-R131 PolarHBondContact O-N 3.39Å; Q128-R131 PolarHBondContact O-N 3.33Å; R131-R135 WeakPolarHBondContact O-CB 3.4Å; R131-R135 PolarHBondContact O-N 3.48Å
132	E	61.7	Low	58.8	Low	120 Å²	120	135.1 Å²	135.1	56%	0.561	62%	0.623	S	S	*	*	H	α-helix	trans	-67.6	-42.6	174.3	-86.1	-174.3	158.5	0	0	112.3	Q128 K129 I134 R135 L136	Q128-E132 PolarHBondContact O-N 3.42Å; K129-E132 PolarHBondContact O-N 3.15Å; E132-I134 VanDerWaalsContact C-N 3.33Å; E132-I134 PolarHBondContact O-N 3.49Å; E132-R135 PolarHBondContact O-N 2.95Å; E132-R135 VanDerWaalsContact O-N 3.15Å; E132-L136 WeakPolarHBondContact O-CB 3.31Å; E132-L136 PolarHBondContact O-N 3.11Å
133	R	65.1	Low	58.9	Low	168 Å²	168	136 Å²	136	63%	0.634	62%	0.624	S	S	*	*	H	α-helix	trans	-60	-42.9	176.3	-157.3	179.6	87.4	-170.3	2.8	111.8	K129 E130 L136 Q137	K129-R133 PolarHBondContact O-N 3.25Å; E130-R133 PolarHBondContact O-N 2.76Å; R133-L136 PolarHBondContact O-N 3.14Å; R133-Q137 WeakPolarHBondContact O-CB 3.5Å; R133-Q137 PolarHBondContact O-N 3.08Å
134	I	64.1	Low	58.6	Low	80 Å²	80	137.6 Å²	137.6	41%	0.41	62%	0.623	S	S	.	*	H	α-helix	trans	-69.2	-34.6	176.8	-66.7	167.6	0	0	0	111.6	E130 E132 K138	E130-I134 HydrophobicContact CG-CD1 4.19Å; E130-I134 VanDerWaalsContact O-CG1 3.3Å; E130-I134 WeakPolarHBondContact O-CG1 3.47Å; E130-I134 PolarHBondContact O-N 3.32Å; E132-I134 VanDerWaalsContact C-N 3.33Å; E132-I134 PolarHBondContact O-N 3.49Å; I134-K138 WeakPolarHBondContact O-CB 3.24Å; I134-K138 WeakPolarHBondContact O-CG 3.41Å; I134-K138 PolarHBondContact O-N 2.99Å
135	R	66.3	Low	58.2	Low	202 Å²	202	130 Å²	130	76%	0.762	60%	0.599	S	S	*	*	H	α-helix	trans	-67.4	-42.9	174.1	-106.8	-178.4	173.7	174.9	-1.8	112	R131 E132 K138 K139	R131-R135 WeakPolarHBondContact O-CB 3.4Å; R131-R135 PolarHBondContact O-N 3.48Å; E132-R135 PolarHBondContact O-N 2.95Å; E132-R135 VanDerWaalsContact O-N 3.15Å; R135-K138 PolarHBondContact O-N 3.43Å; R135-K139 PolarHBondContact O-N 2.81Å
136	L	63.5	Low	57.9	Low	118 Å²	118	129.6 Å²	129.6	62%	0.618	59%	0.593	S	S	*	*	H	α-helix	trans	-63.9	-43.6	174.9	-99.2	139	0	0	0	111.2	E132 R133 K138 K139 F140	E132-L136 WeakPolarHBondContact O-CB 3.31Å; E132-L136 PolarHBondContact O-N 3.11Å; R133-L136 PolarHBondContact O-N 3.14Å; L136-K138 PolarHBondContact O-N 3Å; L136-K139 PolarHBondContact O-N 2.8Å; L136-F140 WeakPolarHBondContact O-CB 3.21Å; L136-F140 PolarHBondContact O-N 2.98Å
137	Q	62.7	Low	57.4	Low	126 Å²	126	136.2 Å²	136.2	59%	0.589	61%	0.609	S	S	*	*	H	α-helix	trans	-65	-39.1	177	-159.4	172.5	28.4	0	0	112.2	R133 F140 Q141	R133-Q137 WeakPolarHBondContact O-CB 3.5Å; R133-Q137 PolarHBondContact O-N 3.08Å; Q137-F140 PolarHBondContact O-N 3.21Å; Q137-Q141 VanDerWaalsContact O-CB 3.3Å; Q137-Q141 WeakPolarHBondContact O-CB 3.47Å; Q137-Q141 PolarHBondContact O-N 2.71Å
138	K	60.8	Low	56.8	Low	138 Å²	138	136.7 Å²	136.7	60%	0.6	61%	0.613	S	S	*	*	H	α-helix	trans	-68.5	-33	172.6	-82.2	-178.1	176.1	178.2	0	113.5	I134 R135 L136 K142	I134-K138 WeakPolarHBondContact O-CB 3.24Å; I134-K138 WeakPolarHBondContact O-CG 3.41Å; I134-K138 PolarHBondContact O-N 2.99Å; R135-K138 PolarHBondContact O-N 3.43Å; L136-K138 PolarHBondContact O-N 3Å; K138-K142 WeakPolarHBondContact O-CB 3.47Å; K138-K142 WeakPolarHBondContact O-CG 3.2Å; K138-K142 PolarHBondContact O-N 3.42Å
139	K	57.1	Low	56.1	Low	162 Å²	162	138.4 Å²	138.4	70%	0.704	62%	0.618	S	S	*	*	H	α-helix	trans	-67.1	-45.4	171.9	-91	-172.4	172.8	-174.2	0	110.9	R135 L136 Q141 K142 Q143	R135-K139 PolarHBondContact O-N 2.81Å; L136-K139 PolarHBondContact O-N 2.8Å; K139-Q141 PolarHBondContact O-N 2.82Å; K139-K142 PolarHBondContact O-N 2.83Å; K139-Q143 WeakPolarHBondContact O-CB 3.18Å; K139-Q143 PolarHBondContact O-N 3.39Å
140	F	54.6	Low	55.2	Low	129 Å²	129	139.4 Å²	139.4	57%	0.566	62%	0.618	S	S	*	*	H	α-helix	trans	-62.1	-42.1	176.9	-138.8	-102.5	0	0	0	111.6	L136 Q137 Q143 F144	L136-F140 WeakPolarHBondContact O-CB 3.21Å; L136-F140 PolarHBondContact O-N 2.98Å; Q137-F140 PolarHBondContact O-N 3.21Å; F140-Q143 PolarHBondContact O-N 3Å; F140-F144 AromaticContact CD1-CD2 3.83Å; F140-F144 HydrophobicContact CD1-CD2 3.83Å; F140-F144 AromaticContact CD1-CE2 3.71Å; F140-F144 HydrophobicContact CD1-CE2 3.71Å; F140-F144 AromaticContact CE1-CD2 3.95Å; F140-F144 HydrophobicContact CE1-CD2 3.95Å; F140-F144 AromaticContact CE1-CE2 3.32Å; F140-F144 HydrophobicContact CE1-CE2 3.32Å; F140-F144 HydrophobicContact CE1-CZ 4.21Å; F140-F144 AromaticContact CZ-CE2 3.96Å; F140-F144 HydrophobicContact CZ-CE2 3.96Å; F140-F144 WeakPolarHBondContact O-CD2 3.16Å; F140-F144 PolarHBondContact O-N 2.74Å
141	Q	57.3	Low	54.6	Low	144 Å²	144	141 Å²	141	67%	0.673	63%	0.629	S	S	*	*	H	α-helix	trans	-70.7	-32.9	178.3	-153.2	172.5	41.5	0	0	112.9	Q137 K139 G145	Q137-Q141 VanDerWaalsContact O-CB 3.3Å; Q137-Q141 WeakPolarHBondContact O-CB 3.47Å; Q137-Q141 PolarHBondContact O-N 2.71Å; K139-Q141 PolarHBondContact O-N 2.82Å; Q141-G145 PolarHBondContact O-N 2.7Å
142	K	57.1	Low	53.8	Low	161 Å²	161	139 Å²	139	70%	0.7	63%	0.629	S	S	*	*	H	α-helix	trans	-69.5	-34.8	169.6	-83.1	-172.6	174.2	-170.3	0	112.2	K138 K139 V146	K138-K142 WeakPolarHBondContact O-CB 3.47Å; K138-K142 WeakPolarHBondContact O-CG 3.2Å; K138-K142 PolarHBondContact O-N 3.42Å; K139-K142 PolarHBondContact O-N 2.83Å; K142-V146 WeakPolarHBondContact O-CB 3.42Å; K142-V146 WeakPolarHBondContact O-CG2 3.17Å; K142-V146 PolarHBondContact O-N 2.63Å
143	Q	52.6	Low	53.2	Low	138 Å²	138	140.3 Å²	140.3	65%	0.645	63%	0.633	S	S	*	*	H	α-helix	trans	-72.8	-35.3	179.5	-158.6	167.9	3.6	0	0	112.3	K139 F140	K139-Q143 WeakPolarHBondContact O-CB 3.18Å; K139-Q143 PolarHBondContact O-N 3.39Å; F140-Q143 PolarHBondContact O-N 3Å
144	F	50.6	Low	52.4	Low	122 Å²	122	137.3 Å²	137.3	54%	0.535	64%	0.638	S	S	.	*	H	α-helix	trans	-77	-34	171.8	-87.9	-93.5	0	0	0	113.6	F140 V146 R147 Q148	F140-F144 AromaticContact CD1-CD2 3.83Å; F140-F144 HydrophobicContact CD1-CD2 3.83Å; F140-F144 AromaticContact CD1-CE2 3.71Å; F140-F144 HydrophobicContact CD1-CE2 3.71Å; F140-F144 AromaticContact CE1-CD2 3.95Å; F140-F144 HydrophobicContact CE1-CD2 3.95Å; F140-F144 AromaticContact CE1-CE2 3.32Å; F140-F144 HydrophobicContact CE1-CE2 3.32Å; F140-F144 HydrophobicContact CE1-CZ 4.21Å; F140-F144 AromaticContact CZ-CE2 3.96Å; F140-F144 HydrophobicContact CZ-CE2 3.96Å; F140-F144 WeakPolarHBondContact O-CD2 3.16Å; F140-F144 PolarHBondContact O-N 2.74Å; F144-V146 VanDerWaalsContact C-N 3.34Å; F144-R147 PolarHBondContact O-N 2.61Å; F144-Q148 PolarHBondContact O-N 2.78Å
145	G	47.9	Very low	52	Low	35 Å²	35	138 Å²	138	36%	0.361	64%	0.639	S	S	.	*	H	α-helix	trans	-72.1	-23.6	175.8	0	0	0	0	0	114.3	Q141 K149	Q141-G145 PolarHBondContact O-N 2.7Å; G145-K149 PolarHBondContact O-N 2.94Å
146	V	47.3	Very low	52.1	Low	82 Å²	82	134.2 Å²	134.2	50%	0.497	63%	0.628	S	S	.	*	H	α-helix	trans	-75.8	-39.1	171.8	173	0	0	0	0	110.3	K142 F144 Q148 K149 W150	K142-V146 WeakPolarHBondContact O-CB 3.42Å; K142-V146 WeakPolarHBondContact O-CG2 3.17Å; K142-V146 PolarHBondContact O-N 2.63Å; F144-V146 VanDerWaalsContact C-N 3.34Å; V146-Q148 PolarHBondContact O-N 2.88Å; V146-K149 PolarHBondContact O-N 3.01Å; V146-W150 VanDerWaalsContact O-CD1 3.26Å; V146-W150 PolarHBondContact O-N 2.7Å
147	R	45.6	Very low	52.7	Low	184 Å²	184	133.3 Å²	133.3	69%	0.694	63%	0.629	S	S	*	*	H	α-helix	trans	-59	-47	174.6	-111.2	178	176.3	174.9	-2.2	112.8	F144 K149 W150 D151	F144-R147 PolarHBondContact O-N 2.61Å; R147-K149 VanDerWaalsContact C-N 3.27Å; R147-K149 PolarHBondContact O-N 3.35Å; R147-W150 PolarHBondContact O-N 2.82Å; R147-D151 PolarHBondContact O-N 2.83Å; R147-D151 VanDerWaalsContact O-N 3.15Å
148	Q	43.4	Very low	53.7	Low	152 Å²	152	130.1 Å²	130.1	71%	0.71	61%	0.612	S	S	*	*	H	α-helix	trans	-67	-21.9	177.4	-91.4	-172.1	-27.4	0	0	114.9	F144 V146	F144-Q148 PolarHBondContact O-N 2.78Å; V146-Q148 PolarHBondContact O-N 2.88Å
149	K	42.8	Very low	54.9	Low	172 Å²	172	130.5 Å²	130.5	75%	0.748	62%	0.62	S	S	*	*	H	α-helix	trans	-82.6	-23.7	175.3	-102.9	-171.1	172.3	-167.9	0	113.2	G145 V146 R147	G145-K149 PolarHBondContact O-N 2.94Å; V146-K149 PolarHBondContact O-N 3.01Å; R147-K149 VanDerWaalsContact C-N 3.27Å; R147-K149 PolarHBondContact O-N 3.35Å
150	W	42	Very low	56.4	Low	185 Å²	185	125.1 Å²	125.1	70%	0.701	60%	0.603	S	S	*	*	H	α-helix	trans	-83.7	-30.8	174.6	-81.9	85.5	0	0	0	112.3	V146 R147 Q152 K153	V146-W150 VanDerWaalsContact O-CD1 3.26Å; V146-W150 PolarHBondContact O-N 2.7Å; R147-W150 PolarHBondContact O-N 2.82Å; W150-Q152 PolarHBondContact O-N 2.9Å; W150-K153 PolarHBondContact O-N 3.44Å
151	D	43.3	Very low	58.1	Low	140 Å²	140	120.9 Å²	120.9	75%	0.749	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-7.4	172	-71.6	-31.6	0	0	0	113.5	R147	R147-D151 PolarHBondContact O-N 2.83Å; R147-D151 VanDerWaalsContact O-N 3.15Å
152	Q	43	Very low	59.7	Low	161 Å²	161	114.6 Å²	114.6	75%	0.752	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	40.2	177.3	-154.5	170.1	80.4	0	0	110.6	W150 S154	W150-Q152 PolarHBondContact O-N 2.9Å; Q152-S154 PolarHBondContact O-N 2.86Å
153	K	49.1	Very low	61.2	Low	148 Å²	148	115.2 Å²	115.2	64%	0.643	57%	0.567	S	S	*	*			trans	-60.4	100.3	152.2	-91.2	-174.9	174.8	-176.3	0	105.8	W150 Q155	W150-K153 PolarHBondContact O-N 3.44Å; K153-Q155 PolarHBondContact O-N 3.39Å
154	S	48.2	Very low	62.9	Low	105 Å²	105	111.9 Å²	111.9	73%	0.734	56%	0.555	S	S	*	*			trans	-47.4	112.9	164.9	-173.7	0	0	0	0	106.1	Q152 K156	Q152-S154 PolarHBondContact O-N 2.86Å; S154-K156 PolarHBondContact O-N 3.3Å; S154-K156 VanDerWaalsContact O-N 3.1Å
155	Q	57.3	Low	64.7	Low	93 Å²	93	113.5 Å²	113.5	44%	0.435	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-53.3	125	167.5	-74.7	-166.2	-12.6	0	0	105.2	K153	K153-Q155 PolarHBondContact O-N 3.39Å
156	K	67.7	Low	66.6	Low	123 Å²	123	118.2 Å²	118.2	54%	0.535	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-56.1	140.3	172.9	-72	-176.2	-179.2	179.8	0	107.3	S154 R158 E302	S154-K156 PolarHBondContact O-N 3.3Å; S154-K156 VanDerWaalsContact O-N 3.1Å; K156-R158 PolarHBondContact O-N 2.82Å; K156-E302 IonicContact NZ-OE1 3.52Å; K156-E302 PolarHBondContact NZ-OE1 3.25Å
157	P	76	Confident	68.6	Low	99 Å²	99	118.5 Å²	118.5	64%	0.643	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-55.5	133.2	171	25.5	-31.9	0	0	0	107.7	N513	P157-N513 WeakPolarHBondContact CA-OD1 3.38Å
158	R	83.8	Confident	70.8	Confident	60 Å²	60	110.6 Å²	110.6	23%	0.226	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-76.6	151.2	175	-62.3	-176.9	-172.8	77.1	7.9	109	K156 P512 N513	K156-R158 PolarHBondContact O-N 2.82Å; R158-P512 HydrophobicContact CB-CB 3.93Å; R158-P512 WeakPolarHBondContact O-CB 3.48Å; R158-N513 PolarHBondContact N-OD1 3.31Å; R158-N513 PolarHBondContact O-ND2 3.34Å
159	D	85.2	Confident	73.2	Confident	145 Å²	145	108.5 Å²	108.5	78%	0.775	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-79.1	144.4	177.5	-56.8	-40.8	0	0	0	110.7	P512	D159-P512 WeakPolarHBondContact O-CB 3.41Å
160	S	89.8	Confident	75.7	Confident	50 Å²	50	103.7 Å²	103.7	35%	0.35	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-73.8	148.2	173.6	-169.7	0	0	0	0	109.6	V162	S160-V162 WeakPolarHBondContact CB-O 3.17Å; S160-V162 PolarHBondContact O-N 3.39Å; S160-V162 PolarHBondContact OG-O 3.43Å
161	S	90.4	Very high	78.3	Confident	39 Å²	39	97.9 Å²	97.9	27%	0.273	51%	0.509	S	S	.	.	S	Bend	trans	-69	-20.7	174.7	63.9	0	0	0	0	112.5	S264 D266 R281 L509	S161-S264 PolarHBondContact N-OG 3.35Å; S161-S264 PolarHBondContact OG-OG 3.41Å; S161-D266 WeakPolarHBondContact CB-OD1 3.32Å; S161-D266 PolarHBondContact OG-N 2.95Å; S161-D266 PolarHBondContact OG-OD1 3.32Å; S161-R281 PolarHBondContact O-NH2 2.98Å; S161-L509 WeakPolarHBondContact OG-CD1 3.42Å
162	V	90.8	Very high	80.7	Confident	13 Å²	13	94.5 Å²	94.5	8%	0.079	49%	0.489	C	S	.	.	S	Bend	trans	-142.5	148.5	174.7	74.9	0	0	0	0	111.3	S160 V164 W168 L507 L509 F527	S160-V162 WeakPolarHBondContact CB-O 3.17Å; S160-V162 PolarHBondContact O-N 3.39Å; S160-V162 PolarHBondContact OG-O 3.43Å; V162-V164 PolarHBondContact O-N 2.94Å; V162-W168 HydrophobicContact CG1-CH2 3.91Å; V162-W168 HydrophobicContact CG1-CZ3 3.87Å; V162-W168 HydrophobicContact CG2-CH2 3.76Å; V162-L507 HydrophobicContact CG1-CD2 3.78Å; V162-L509 HydrophobicContact CG1-CD1 3.97Å; V162-L509 HydrophobicContact CG1-CD2 3.97Å; V162-F527 HydrophobicContact CG2-CE1 4Å; V162-F527 HydrophobicContact CG2-CZ 3.77Å
163	E	87.8	Confident	83.2	Confident	174 Å²	174	91.9 Å²	91.9	81%	0.813	48%	0.477	S	S	*	.			trans	-77.6	111	172.9	-63.5	-171.4	169.3	0	0	109.8	R165	E163-R165 PolarHBondContact O-N 3.28Å
164	V	88.5	Confident	85.4	Confident	68 Å²	68	84.9 Å²	84.9	41%	0.412	45%	0.446	S	S	.	.			trans	-72.5	115.4	178	-179.3	0	0	0	0	108.8	V162 W168 L509 Y520	V162-V164 PolarHBondContact O-N 2.94Å; V164-W168 HydrophobicContact CB-CE3 4.4Å; V164-W168 HydrophobicContact CG1-CE3 4.02Å; V164-W168 HydrophobicContact CG2-CE3 4.49Å; V164-W168 HydrophobicContact CG2-CZ3 4.31Å; V164-L509 HydrophobicContact CG2-CD2 3.49Å; V164-L509 VanDerWaalsContact CG2-CD2 3.49Å; V164-Y520 HydrophobicContact CG1-CE1 3.85Å
165	R	89.1	Confident	87.7	Confident	155 Å²	155	83.2 Å²	83.2	59%	0.585	43%	0.429	S	S	*	.			trans	-83.7	161.3	177.4	-60.4	-177.9	179.3	176.4	0.5	111.3	E163 D167 W168	E163-R165 PolarHBondContact O-N 3.28Å; R165-D167 VanDerWaalsContact C-N 3.33Å; R165-D167 WeakPolarHBondContact CB-OD1 3.38Å; R165-W168 HydrophobicContact CB-CG 4.42Å; R165-W168 PolarHBondContact O-N 3.11Å
166	S	87.4	Confident	89.5	Confident	134 Å²	134	79 Å²	79	94%	0.937	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.5	-174.5	52.5	0	0	0	0	114.7
167	D	89.3	Confident	90.8	Very high	88 Å²	88	75.9 Å²	75.9	47%	0.471	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12	176.4	56.8	-21.8	0	0	0	113	R165 P523	R165-D167 VanDerWaalsContact C-N 3.33Å; R165-D167 WeakPolarHBondContact CB-OD1 3.38Å; D167-P523 HydrophobicContact CB-CG 4.49Å
168	W	92.9	Very high	91.7	Very high	19 Å²	19	75.2 Å²	75.2	7%	0.072	39%	0.39	C	S	.	.			trans	-76	128	177.2	-66.2	6.5	0	0	0	111.7	V162 V164 R165 L507 Y520 L522 T526 F527	V162-W168 HydrophobicContact CG1-CH2 3.91Å; V162-W168 HydrophobicContact CG1-CZ3 3.87Å; V162-W168 HydrophobicContact CG2-CH2 3.76Å; V164-W168 HydrophobicContact CB-CE3 4.4Å; V164-W168 HydrophobicContact CG1-CE3 4.02Å; V164-W168 HydrophobicContact CG2-CE3 4.49Å; V164-W168 HydrophobicContact CG2-CZ3 4.31Å; R165-W168 HydrophobicContact CB-CG 4.42Å; R165-W168 PolarHBondContact O-N 3.11Å; W168-L507 HydrophobicContact CE3-CD2 4.42Å; W168-L507 HydrophobicContact CH2-CD2 3.81Å; W168-L507 HydrophobicContact CZ3-CD2 3.51Å; W168-Y520 HydrophobicContact CB-CD1 3.97Å; W168-Y520 HydrophobicContact CE3-CD1 4.29Å; W168-Y520 HydrophobicContact CE3-CG 4.23Å; W168-L522 HydrophobicContact CD2-CD2 3.51Å; W168-L522 HydrophobicContact CE3-CD2 3.91Å; W168-L522 HydrophobicContact CG-CD2 3.98Å; W168-L522 HydrophobicContact CH2-CD2 4.06Å; W168-L522 HydrophobicContact CZ2-CD2 3.66Å; W168-L522 HydrophobicContact CZ3-CD2 4.17Å; W168-T526 HydrophobicContact CZ2-CG2 4.05Å; W168-F527 HydrophobicContact CH2-CE2 4.35Å; W168-F527 AromaticContact CH2-CZ 3.87Å; W168-F527 HydrophobicContact CH2-CZ 3.87Å; W168-F527 HydrophobicContact CZ2-CE2 4.28Å; W168-F527 AromaticContact CZ2-CZ 3.95Å; W168-F527 HydrophobicContact CZ2-CZ 3.95Å
169	E	92.9	Very high	92.2	Very high	108 Å²	108	72.3 Å²	72.3	51%	0.505	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.7	180	-167.4	-172.2	175.2	0	0	111	K171 Y520 S521	E169-K171 PolarHBondContact O-N 2.81Å; E169-K171 IonicContact OE1-NZ 2.73Å; E169-K171 VanDerWaalsContact OE2-CE 3.29Å; E169-K171 WeakPolarHBondContact OE2-CE 3.42Å; E169-K171 IonicContact OE2-NZ 3.45Å; E169-K171 PolarHBondContact OE2-NZ 2.87Å; E169-Y520 CarbonylContact O-C 3.6Å; E169-Y520 VanDerWaalsContact O-CA 3.22Å; E169-Y520 WeakPolarHBondContact O-CA 3.37Å; E169-S521 PolarHBondContact N-O 2.9Å; E169-S521 PolarHBondContact O-N 3.48Å
170	V	95.3	Very high	92.7	Very high	71 Å²	71	70.8 Å²	70.8	43%	0.43	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	110.3	172.6	-178.2	0	0	0	0	109.1	Y520	V170-Y520 HydrophobicContact CG2-CD1 3.85Å; V170-Y520 HydrophobicContact CG2-CE1 3.42Å; V170-Y520 VanDerWaalsContact CG2-CE1 3.42Å
171	K	95.6	Very high	92.9	Very high	63 Å²	63	76.2 Å²	76.2	27%	0.274	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-42.7	176.4	-62.5	-64.8	-167.7	-178.8	0	111.7	E169 L501 E502 Y506 V519 S521	E169-K171 PolarHBondContact O-N 2.81Å; E169-K171 IonicContact OE1-NZ 2.73Å; E169-K171 VanDerWaalsContact OE2-CE 3.29Å; E169-K171 WeakPolarHBondContact OE2-CE 3.42Å; E169-K171 IonicContact OE2-NZ 3.45Å; E169-K171 PolarHBondContact OE2-NZ 2.87Å; K171-L501 HydrophobicContact CB-CD2 4.07Å; K171-L501 HydrophobicContact CD-CD2 4.41Å; K171-L501 HydrophobicContact CG-CD2 4.16Å; K171-E502 IonicContact NZ-OE1 3.29Å; K171-E502 PolarHBondContact NZ-OE1 2.77Å; K171-Y506 HydrophobicContact CG-CE1 4.32Å; K171-V519 PolarHBondContact N-O 2.92Å; K171-S521 VanDerWaalsContact CE-CB 3.48Å; K171-S521 WeakPolarHBondContact CE-OG 3.41Å
172	E	95	Very high	93.1	Very high	69 Å²	69	76.7 Å²	76.7	32%	0.322	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	149.8	-179.4	-164.8	155.2	169.6	0	0	113.2	M174 I497 R518 V519	E172-M174 HydrophobicContact CG-CG 4.38Å; E172-I497 HydrophobicContact CB-CG2 4.34Å; E172-I497 HydrophobicContact CG-CD1 4.35Å; E172-I497 VanDerWaalsContact OE1-CD1 3.24Å; E172-I497 WeakPolarHBondContact OE1-CD1 3.22Å; E172-I497 WeakPolarHBondContact OE2-CD1 3.42Å; E172-I497 WeakPolarHBondContact OE2-CG1 3.36Å; E172-I497 WeakPolarHBondContact OE2-CG2 3.45Å; E172-R518 CarbonylContact O-C 3.28Å; E172-R518 VanDerWaalsContact O-CA 3.32Å; E172-R518 WeakPolarHBondContact O-CA 3.45Å; E172-V519 HydrophobicContact CB-CB 4.37Å; E172-V519 HydrophobicContact CB-CG2 4.35Å; E172-V519 PolarHBondContact N-O 2.9Å; E172-V519 PolarHBondContact O-N 3.35Å
173	E	95.4	Very high	93.2	Very high	106 Å²	106	84.3 Å²	84.3	50%	0.495	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.7	176	-177.8	165.5	164	0	0	109.7	V516 R518	E173-V516 HydrophobicContact CG-CG2 3.34Å; E173-R518 HydrophobicContact CB-CG 4.17Å; E173-R518 VanDerWaalsContact CD-NE 3.3Å; E173-R518 VanDerWaalsContact CD-NH2 3.35Å; E173-R518 HydrophobicContact CG-CG 3.94Å; E173-R518 IonicContact OE1-CZ 3.9Å; E173-R518 IonicContact OE1-NE 3.51Å; E173-R518 IonicContact OE1-NH2 2.69Å; E173-R518 PolarHBondContact OE1-NH2 2.78Å; E173-R518 IonicContact OE2-CZ 2.7Å; E173-R518 IonicContact OE2-NE 3.74Å; E173-R518 PolarHBondContact OE2-NE 3.5Å; E173-R518 IonicContact OE2-NH2 3.88Å; E173-R518 PolarHBondContact OE2-NH2 2.69Å
174	M	95.4	Very high	93.4	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.8	-178.6	-64.2	171.2	-89.4	0	0	110.7	E172 L179 V494 I497 V516 I517 V519	E172-M174 HydrophobicContact CG-CG 4.38Å; M174-L179 HydrophobicContact CB-CD1 4.38Å; M174-L179 HydrophobicContact CB-CD2 4.27Å; M174-L179 HydrophobicContact CB-CG 4.33Å; M174-L179 HydrophobicContact SD-CD2 4.09Å; M174-V494 HydrophobicContact CE-CG2 4.35Å; M174-I497 HydrophobicContact CE-CD1 3.78Å; M174-I497 HydrophobicContact CG-CD1 4.42Å; M174-I497 HydrophobicContact SD-CD1 3.48Å; M174-I497 WeakPolarHBondContact SD-CD1 3.08Å; M174-V516 WeakPolarHBondContact O-CA 3.44Å; M174-V516 WeakPolarHBondContact O-CG2 3.45Å; M174-I517 HydrophobicContact CB-CD1 4.34Å; M174-I517 HydrophobicContact CB-CG1 3.83Å; M174-I517 HydrophobicContact CE-CD1 3.74Å; M174-I517 HydrophobicContact CE-CG1 3.99Å; M174-I517 PolarHBondContact N-O 3.32Å; M174-I517 PolarHBondContact O-N 3.18Å; M174-I517 HydrophobicContact SD-CD1 4.26Å; M174-V519 HydrophobicContact CE-CG2 3.9Å
175	D	95.2	Very high	93.3	Very high	71 Å²	71	80.3 Å²	80.3	38%	0.38	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	154.5	176.9	79.2	7.2	0	0	0	112.3	P177 Q178 L179	D175-P177 WeakPolarHBondContact OD1-CD 3.35Å; D175-Q178 PolarHBondContact O-N 2.83Å; D175-Q178 WeakPolarHBondContact OD1-CB 3.39Å; D175-Q178 PolarHBondContact OD1-N 2.89Å; D175-L179 WeakPolarHBondContact O-CG 3.08Å; D175-L179 PolarHBondContact O-N 2.91Å; D175-L179 VanDerWaalsContact O-N 3.16Å
176	F	96.1	Very high	93.1	Very high	4 Å²	4	80.3 Å²	80.3	2%	0.018	40%	0.397	C	S	.	.	H	α-helix	trans	-61.8	-38	179.9	-72	11.5	0	0	0	113.1	Q178 L179 M180 C258 T259 S261 K510 Q515 I517	F176-Q178 VanDerWaalsContact C-N 3.28Å; F176-Q178 PolarHBondContact O-N 3.15Å; F176-L179 HydrophobicContact CD1-CD1 4.34Å; F176-L179 PolarHBondContact O-N 3.08Å; F176-M180 WeakPolarHBondContact O-CB 3.44Å; F176-M180 WeakPolarHBondContact O-CG 3.39Å; F176-M180 PolarHBondContact O-N 3.27Å; F176-C258 WeakPolarHBondContact CZ-O 3.4Å; F176-T259 VanDerWaalsContact CD2-O 3.28Å; F176-T259 WeakPolarHBondContact CD2-O 3.3Å; F176-T259 WeakPolarHBondContact CE2-O 3.44Å; F176-S261 WeakPolarHBondContact CE2-O 3.3Å; F176-K510 HydrophobicContact CZ-CG 4.25Å; F176-Q515 HydrophobicContact CB-CB 4.18Å; F176-Q515 VanDerWaalsContact CD1-C 3.45Å; F176-Q515 HydrophobicContact CD1-CB 4.39Å; F176-Q515 WeakPolarHBondContact CD1-O 3.34Å; F176-Q515 HydrophobicContact CD2-CB 3.63Å; F176-Q515 HydrophobicContact CD2-CG 3.95Å; F176-Q515 HydrophobicContact CE2-CB 4.05Å; F176-Q515 HydrophobicContact CE2-CG 4.15Å; F176-Q515 HydrophobicContact CG-CB 3.82Å; F176-Q515 WeakPolarHBondContact CG-O 3.48Å; F176-Q515 PolarHBondContact N-O 2.94Å; F176-I517 HydrophobicContact CE1-CG2 4.11Å
177	P	95.8	Very high	93.2	Very high	57 Å²	57	75.9 Å²	75.9	37%	0.37	37%	0.365	S	S	.	.	H	α-helix	trans	-55.9	-35.9	173.4	-29.5	37.2	0	0	0	115.3	D175 M180 K181	D175-P177 WeakPolarHBondContact OD1-CD 3.35Å; P177-M180 HydrophobicContact CG-CE 4.48Å; P177-K181 WeakPolarHBondContact O-CG 3.34Å
178	Q	94.1	Very high	93.2	Very high	85 Å²	85	74 Å²	74	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-70	-48.7	173.8	-178.8	175.3	-10.9	0	0	110.5	D175 F176 M180 K181 M182	D175-Q178 PolarHBondContact O-N 2.83Å; D175-Q178 WeakPolarHBondContact OD1-CB 3.39Å; D175-Q178 PolarHBondContact OD1-N 2.89Å; F176-Q178 VanDerWaalsContact C-N 3.28Å; F176-Q178 PolarHBondContact O-N 3.15Å; Q178-M180 VanDerWaalsContact C-N 3.32Å; Q178-M180 PolarHBondContact O-N 2.58Å; Q178-K181 PolarHBondContact O-N 3.03Å; Q178-M182 HydrophobicContact CG-CE 4.21Å
179	L	94.9	Very high	93.1	Very high	0 Å²	0	81.1 Å²	81.1	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-61	-37	179.9	-66.4	175.6	0	0	0	113.1	M174 D175 F176 K181 M182 T259 N486 I490 I517	M174-L179 HydrophobicContact CB-CD1 4.38Å; M174-L179 HydrophobicContact CB-CD2 4.27Å; M174-L179 HydrophobicContact CB-CG 4.33Å; M174-L179 HydrophobicContact SD-CD2 4.09Å; D175-L179 WeakPolarHBondContact O-CG 3.08Å; D175-L179 PolarHBondContact O-N 2.91Å; D175-L179 VanDerWaalsContact O-N 3.16Å; F176-L179 HydrophobicContact CD1-CD1 4.34Å; F176-L179 PolarHBondContact O-N 3.08Å; L179-K181 PolarHBondContact O-N 3.49Å; L179-M182 WeakPolarHBondContact O-CB 3.4Å; L179-M182 PolarHBondContact O-N 3.35Å; L179-T259 HydrophobicContact CB-CG2 3.66Å; L179-N486 PolarHBondContact O-ND2 3.38Å; L179-I490 HydrophobicContact CB-CD1 4.37Å; L179-I490 HydrophobicContact CB-CG1 4.14Å; L179-I490 HydrophobicContact CD2-CG1 4.43Å; L179-I490 HydrophobicContact CD2-CG2 4.32Å; L179-I490 WeakPolarHBondContact O-CG1 3.39Å; L179-I517 HydrophobicContact CD1-CD1 3.7Å; L179-I517 HydrophobicContact CD1-CG1 4.02Å
180	M	94.6	Very high	93.2	Very high	112 Å²	112	77 Å²	77	55%	0.552	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18	176.4	-75.9	-172.9	-69.9	0	0	114.1	F176 P177 Q178 T259 N486	F176-M180 WeakPolarHBondContact O-CB 3.44Å; F176-M180 WeakPolarHBondContact O-CG 3.39Å; F176-M180 PolarHBondContact O-N 3.27Å; P177-M180 HydrophobicContact CG-CE 4.48Å; Q178-M180 VanDerWaalsContact C-N 3.32Å; Q178-M180 PolarHBondContact O-N 2.58Å; M180-T259 HydrophobicContact CG-CG2 3.96Å; M180-N486 PolarHBondContact O-ND2 3.1Å
181	K	94.8	Very high	93.2	Very high	165 Å²	165	80.1 Å²	80.1	72%	0.717	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-13.2	178.6	-66.3	171.8	-173.6	172.1	0	112.9	P177 Q178 L179	P177-K181 WeakPolarHBondContact O-CG 3.34Å; Q178-K181 PolarHBondContact O-N 3.03Å; L179-K181 PolarHBondContact O-N 3.49Å
182	M	93.6	Very high	93.2	Very high	48 Å²	48	80.5 Å²	80.5	24%	0.236	39%	0.39	C	S	.	.			trans	-64.6	143.7	179.4	-59.2	-52.6	-150.9	0	0	110.7	Q178 L179 N486 I490 C493	Q178-M182 HydrophobicContact CG-CE 4.21Å; L179-M182 WeakPolarHBondContact O-CB 3.4Å; L179-M182 PolarHBondContact O-N 3.35Å; M182-N486 WeakPolarHBondContact O-CA 3.35Å; M182-N486 PolarHBondContact O-ND2 3.05Å; M182-I490 HydrophobicContact CB-CG1 4.5Å; M182-C493 HydrophobicContact CE-CB 4Å; M182-C493 WeakPolarHBondContact CE-SG 3.48Å
183	R	93	Very high	93.2	Very high	173 Å²	173	80 Å²	80	65%	0.653	39%	0.389	S	S	*	.			trans	-146.1	140.9	175.3	-64.4	-171.7	-177.4	-120.7	3.7	109.3	E485	R183-E485 IonicContact NH1-OE2 2.78Å; R183-E485 PolarHBondContact NH1-OE2 2.92Å
184	Y	92.9	Very high	93.1	Very high	30 Å²	30	76.6 Å²	76.6	12%	0.118	37%	0.373	C	S	.	.			trans	-139.5	125.9	171.2	-170.7	-102.4	0	0	0	109	E186 V187 L365 E485 W488 R492	Y184-E186 HydrophobicContact CE1-CB 4.46Å; Y184-E186 PolarHBondContact OH-O 2.83Å; Y184-V187 HydrophobicContact CD1-CG2 3.47Å; Y184-V187 VanDerWaalsContact CD1-CG2 3.47Å; Y184-V187 HydrophobicContact CE1-CG2 3.67Å; Y184-L365 HydrophobicContact CE1-CB 4.48Å; Y184-L365 HydrophobicContact CE1-CD2 4.18Å; Y184-L365 PolarHBondContact OH-O 2.8Å; Y184-E485 PolarHBondContact N-O 3.38Å; Y184-W488 HydrophobicContact CD1-CB 4.23Å; Y184-R492 HydrophobicContact CD2-CB 4.34Å; Y184-R492 HydrophobicContact CD2-CG 3.96Å; Y184-R492 HydrophobicContact CE2-CG 4.18Å; Y184-R492 HydrophobicContact CG-CB 4.31Å; Y184-R492 HydrophobicContact CG-CG 4.4Å
185	L	86.9	Confident	93.2	Very high	129 Å²	129	77.7 Å²	77.7	68%	0.675	38%	0.381	S	S	*	.			trans	-112.1	-24.4	-170.4	-77.6	143.1	0	0	0	112.8	V187 E485	L185-V187 PolarHBondContact O-N 3.35Å; L185-E485 HydrophobicContact CD2-CG 4.15Å
186	E	84.3	Confident	93.2	Very high	154 Å²	154	74.4 Å²	74.4	72%	0.72	36%	0.363	S	S	*	.			trans	-88	49.3	-172.9	-61.9	-174.3	170.7	0	0	112.1	Y184	Y184-E186 HydrophobicContact CE1-CB 4.46Å; Y184-E186 PolarHBondContact OH-O 2.83Å
187	V	89.2	Confident	93.1	Very high	42 Å²	42	74.5 Å²	74.5	26%	0.255	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-90.4	118.4	175.4	-174.9	0	0	0	0	109	Y184 L185 L365 W488	Y184-V187 HydrophobicContact CD1-CG2 3.47Å; Y184-V187 VanDerWaalsContact CD1-CG2 3.47Å; Y184-V187 HydrophobicContact CE1-CG2 3.67Å; L185-V187 PolarHBondContact O-N 3.35Å; V187-L365 HydrophobicContact CG1-CD2 4.02Å; V187-L365 HydrophobicContact CG2-CD2 4.16Å; V187-W488 HydrophobicContact CG1-CD2 4.22Å; V187-W488 HydrophobicContact CG1-CH2 4.38Å; V187-W488 HydrophobicContact CG1-CZ2 3.94Å; V187-W488 HydrophobicContact CG2-CB 3.97Å; V187-W488 HydrophobicContact CG2-CD2 3.79Å; V187-W488 HydrophobicContact CG2-CE3 4.34Å; V187-W488 HydrophobicContact CG2-CG 3.6Å
188	S	89.1	Confident	93	Very high	48 Å²	48	72.7 Å²	72.7	34%	0.336	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69.8	152.6	173.1	69.8	0	0	0	0	111.5	W363 K364	S188-W363 VanDerWaalsContact O-CD1 3.31Å; S188-K364 PolarHBondContact OG-N 2.99Å; S188-K364 PolarHBondContact OG-O 3.29Å
189	E	90.8	Very high	93.1	Very high	168 Å²	168	68.6 Å²	68.6	79%	0.785	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-58.9	135.2	165.3	-73.7	-66.2	160.5	0	0	109.9
190	P	94.6	Very high	93.1	Very high	22 Å²	22	68.6 Å²	68.6	14%	0.143	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-68.3	152.6	-179	22.2	-29.6	0	0	0	113.2	R361 R362 W363	P190-R361 HydrophobicContact CB-CB 4.21Å; P190-R362 WeakPolarHBondContact CA-O 3.35Å; P190-W363 HydrophobicContact CB-CD2 3.75Å; P190-W363 HydrophobicContact CB-CE3 4.27Å; P190-W363 HydrophobicContact CB-CG 4.19Å; P190-W363 HydrophobicContact CB-CH2 4.16Å; P190-W363 HydrophobicContact CB-CZ2 3.59Å; P190-W363 HydrophobicContact CB-CZ3 4.45Å; P190-W363 HydrophobicContact CG-CD2 4.47Å; P190-W363 HydrophobicContact CG-CZ2 3.62Å
191	Q	95.3	Very high	93.2	Very high	136 Å²	136	66 Å²	66	64%	0.636	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	132	169.5	-62.1	174.9	17.3	0	0	109.5	I193 R361 R362	Q191-I193 PolarHBondContact O-N 2.87Å; Q191-R361 CarbonylContact O-C 3.57Å; Q191-R361 WeakPolarHBondContact O-CA 3.49Å; Q191-R362 PolarHBondContact N-O 2.64Å; Q191-R362 PolarHBondContact O-N 3.4Å
192	D	95.4	Very high	93.3	Very high	71 Å²	71	58.5 Å²	58.5	38%	0.38	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.3	176.7	-60.4	-18.5	0	0	0	108.9	R359 R361	D192-R359 WeakPolarHBondContact OD1-CD 3.46Å; D192-R359 IonicContact OD2-CZ 2.75Å; D192-R359 IonicContact OD2-NH1 3.18Å; D192-R359 PolarHBondContact OD2-NH1 2.71Å; D192-R361 WeakPolarHBondContact OD1-CG 3.49Å; D192-R361 IonicContact OD1-CZ 3.51Å; D192-R361 IonicContact OD1-NE 2.99Å; D192-R361 PolarHBondContact OD1-NE 2.68Å; D192-R361 IonicContact OD1-NH2 2.81Å; D192-R361 PolarHBondContact OD1-NH2 3.02Å
193	I	95	Very high	93.4	Very high	58 Å²	58	58 Å²	58	30%	0.297	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-53.6	179	-59.2	163.1	0	0	0	109.6	Q191 L238 Y360 R362 I372	Q191-I193 PolarHBondContact O-N 2.87Å; I193-L238 HydrophobicContact CD1-CD2 4.44Å; I193-L238 HydrophobicContact CG2-CD2 3.72Å; I193-Y360 PolarHBondContact N-O 2.85Å; I193-R362 HydrophobicContact CD1-CB 3.77Å; I193-R362 HydrophobicContact CD1-CG 4.47Å; I193-R362 HydrophobicContact CG1-CB 4.1Å; I193-I372 HydrophobicContact CD1-CD1 3.87Å; I193-I372 HydrophobicContact CD1-CG1 4.15Å; I193-I372 HydrophobicContact CD1-CG2 4.47Å
194	E	94.9	Very high	93.5	Very high	35 Å²	35	54.4 Å²	54.4	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.2	-172.8	-167.4	163.8	173.3	0	0	110.2	N339 Y360	E194-N339 VanDerWaalsContact CD-ND2 3.35Å; E194-N339 VanDerWaalsContact CG-ND2 3.27Å; E194-N339 WeakPolarHBondContact CG-ND2 3.09Å; E194-N339 PolarHBondContact OE1-ND2 2.75Å; E194-Y360 HydrophobicContact CB-CD2 3.98Å; E194-Y360 HydrophobicContact CG-CD2 4.49Å; E194-Y360 PolarHBondContact O-N 2.89Å
195	C	96.1	Very high	93.6	Very high	24 Å²	24	54.2 Å²	54.2	16%	0.162	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.6	178.9	-61.6	0	0	0	0	109	F337 N339 Y358	C195-F337 HydrophobicContact CB-CB 4.26Å; C195-F337 HydrophobicContact CB-CD1 3.36Å; C195-F337 HydrophobicContact CB-CE1 3.8Å; C195-F337 HydrophobicContact CB-CG 3.92Å; C195-N339 PolarHBondContact O-N 2.81Å; C195-Y358 WeakPolarHBondContact CA-O 3.29Å
196	C	95.3	Very high	94	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.014	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.9	-170.5	-64	0	0	0	0	111.7	N339 P340 A357 Y358	C196-N339 CarbonylContact C-O 3.57Å; C196-N339 WeakPolarHBondContact CA-O 3.33Å; C196-N339 HydrophobicContact CB-CB 4.44Å; C196-P340 VanDerWaalsContact CB-O 3.28Å; C196-P340 WeakPolarHBondContact CB-O 3.37Å; C196-A357 CarbonylContact O-C 3.54Å; C196-A357 VanDerWaalsContact O-CA 3.28Å; C196-A357 WeakPolarHBondContact O-CA 3.28Å; C196-A357 WeakPolarHBondContact O-CB 3.22Å; C196-Y358 PolarHBondContact N-O 3.13Å; C196-Y358 PolarHBondContact O-N 2.64Å
197	G	94.6	Very high	94.6	Very high	5 Å²	5	44.3 Å²	44.3	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.9	-166.4	171.2	0	0	0	0	0	114.6	F337 N339 P340	G197-F337 WeakPolarHBondContact O-CB 3.49Å; G197-F337 PolarHBondContact O-N 2.89Å; G197-N339 PolarHBondContact N-O 2.63Å; G197-P340 PolarHBondContact N-O 2.86Å
198	A	93.7	Very high	94.8	Very high	19 Å²	19	51.3 Å²	51.3	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	140	-172.4	0	0	0	0	0	111.4	R334 Y335 N336 V356	A198-R334 HydrophobicContact CB-CB 4.43Å; A198-Y335 CarbonylContact C-O 3.53Å; A198-Y335 WeakPolarHBondContact CA-O 3.26Å; A198-N336 VanDerWaalsContact CB-OD1 3.32Å; A198-N336 WeakPolarHBondContact CB-OD1 3.28Å; A198-V356 PolarHBondContact N-O 3.4Å; A198-V356 PolarHBondContact O-N 3.07Å
199	L	95.8	Very high	95.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.2	-176.4	-62.5	178.3	0	0	0	111.5	R334 Y335 F337 A357 H377 V380 F390	L199-R334 CarbonylContact O-C 3.54Å; L199-R334 WeakPolarHBondContact O-CA 3.44Å; L199-R334 WeakPolarHBondContact O-CB 3.41Å; L199-Y335 PolarHBondContact N-O 3.42Å; L199-Y335 PolarHBondContact O-N 3.1Å; L199-F337 HydrophobicContact CD1-CE2 3.96Å; L199-F337 HydrophobicContact CG-CE2 4.36Å; L199-A357 HydrophobicContact CD1-CB 4.02Å; L199-A357 HydrophobicContact CD2-CB 3.57Å; L199-A357 HydrophobicContact CG-CB 3.67Å; L199-H377 HydrophobicContact CD1-CB 4.02Å; L199-H377 HydrophobicContact CD2-CB 4.32Å; L199-H377 VanDerWaalsContact CD2-O 3.27Å; L199-H377 WeakPolarHBondContact CD2-O 3.45Å; L199-V380 HydrophobicContact CB-CB 4.23Å; L199-V380 HydrophobicContact CB-CG1 4.2Å; L199-V380 HydrophobicContact CD1-CB 4.38Å; L199-F390 HydrophobicContact CD1-CD1 3.67Å; L199-F390 HydrophobicContact CD1-CE1 4.01Å
200	E	96.1	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	148.8	168.2	-69.3	-178	-178.6	0	0	110.7	R222 L328 M330 R334 S355 V380	E200-R222 IonicContact OE1-CZ 2.81Å; E200-R222 IonicContact OE1-NH1 2.63Å; E200-R222 IonicContact OE1-NH2 3.36Å; E200-R222 PolarHBondContact OE1-NH2 2.93Å; E200-L328 HydrophobicContact CB-CB 3.87Å; E200-L328 HydrophobicContact CB-CD1 4.01Å; E200-L328 HydrophobicContact CB-CG 4.44Å; E200-M330 WeakPolarHBondContact OE2-CA 3.3Å; E200-R334 HydrophobicContact CG-CG 3.84Å; E200-R334 IonicContact OE1-CZ 2.78Å; E200-R334 IonicContact OE1-NE 3.65Å; E200-R334 PolarHBondContact OE1-NE 2.88Å; E200-R334 IonicContact OE1-NH2 3.34Å; E200-R334 PolarHBondContact OE1-NH2 2.78Å; E200-S355 PolarHBondContact N-OG 2.86Å; E200-V380 PolarHBondContact O-N 3.11Å
201	Y	96.6	Very high	95.4	Very high	57 Å²	57	43.4 Å²	43.4	22%	0.224	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-75.4	133.5	178.6	-76.1	-93.3	0	0	0	111.6	D203 R329 E333 V380	Y201-D203 PolarHBondContact O-N 2.77Å; Y201-R329 WeakPolarHBondContact O-CB 3.33Å; Y201-R329 WeakPolarHBondContact O-CG 3.49Å; Y201-R329 PolarHBondContact O-N 3.44Å; Y201-E333 WeakPolarHBondContact CD2-O 3.22Å; Y201-V380 CarbonylContact C-O 3.47Å; Y201-V380 WeakPolarHBondContact CA-O 3.46Å; Y201-V380 HydrophobicContact CD1-CG1 3.68Å; Y201-V380 HydrophobicContact CD2-CG1 4.18Å; Y201-V380 HydrophobicContact CE1-CG1 3.81Å; Y201-V380 HydrophobicContact CE2-CG1 4.3Å; Y201-V380 HydrophobicContact CG-CG1 3.87Å
202	Y	97	Very high	95.3	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.027	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-62.4	132.1	174.2	-177.9	-102.5	0	0	0	112.1	K204 D207 C327 L328 V380 M381 I391 I393 T468	Y202-K204 HydrophobicContact CD1-CG 4.39Å; Y202-K204 PolarHBondContact O-N 3.29Å; Y202-D207 WeakPolarHBondContact CE1-OD1 3.36Å; Y202-D207 PolarHBondContact OH-OD1 3.3Å; Y202-C327 HydrophobicContact CD2-CB 4.36Å; Y202-C327 HydrophobicContact CE2-CB 3.89Å; Y202-L328 HydrophobicContact CD2-CD2 4.37Å; Y202-V380 PolarHBondContact N-O 2.98Å; Y202-M381 HydrophobicContact CD1-CE 3.53Å; Y202-M381 HydrophobicContact CE1-CE 4.06Å; Y202-M381 HydrophobicContact CG-CE 4.19Å; Y202-I391 HydrophobicContact CD2-CD1 3.81Å; Y202-I391 HydrophobicContact CG-CD1 3.85Å; Y202-I393 HydrophobicContact CD2-CD1 4.43Å; Y202-T468 PolarHBondContact OH-OG1 2.81Å
203	D	95.8	Very high	95.3	Very high	37 Å²	37	47.5 Å²	47.5	20%	0.198	23%	0.228	C	C	.	.			trans	-84.5	101.6	174.2	-173.3	20.1	0	0	0	111.7	Y201 A205 F206 C327 R329	Y201-D203 PolarHBondContact O-N 2.77Å; D203-A205 PolarHBondContact O-N 2.84Å; D203-A205 PolarHBondContact OD1-N 3.04Å; D203-A205 WeakPolarHBondContact OD2-CB 3.5Å; D203-F206 HydrophobicContact CB-CD2 3.89Å; D203-F206 HydrophobicContact CB-CE2 4.2Å; D203-F206 WeakPolarHBondContact O-CB 3.32Å; D203-F206 PolarHBondContact O-N 3.47Å; D203-C327 PolarHBondContact N-O 2.93Å; D203-R329 HydrophobicContact CB-CG 3.81Å; D203-R329 IonicContact OD1-CZ 3.9Å; D203-R329 IonicContact OD1-NE 3.49Å; D203-R329 PolarHBondContact OD1-NE 2.9Å; D203-R329 IonicContact OD1-NH2 3.36Å; D203-R329 PolarHBondContact OD1-NH2 2.94Å
204	K	93.9	Very high	95.3	Very high	99 Å²	99	47.9 Å²	47.9	43%	0.43	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-55.2	-14.4	175.4	-62.2	-173.3	-178.6	-177.8	0	114.2	Y202 F206 D207 T382	Y202-K204 HydrophobicContact CD1-CG 4.39Å; Y202-K204 PolarHBondContact O-N 3.29Å; K204-F206 PolarHBondContact O-N 3.06Å; K204-D207 PolarHBondContact O-N 2.92Å; K204-T382 WeakPolarHBondContact CE-O 3.38Å; K204-T382 PolarHBondContact NZ-O 3.16Å
205	A	94.9	Very high	95.4	Very high	26 Å²	26	50 Å²	50	22%	0.215	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-64.4	-24.2	171.7	0	0	0	0	0	113.2	D203 D207 R208	D203-A205 PolarHBondContact O-N 2.84Å; D203-A205 PolarHBondContact OD1-N 3.04Å; D203-A205 WeakPolarHBondContact OD2-CB 3.5Å; A205-D207 VanDerWaalsContact C-N 3.29Å; A205-D207 PolarHBondContact O-N 2.87Å; A205-R208 PolarHBondContact O-N 3.09Å
206	F	96.5	Very high	95.5	Very high	12 Å²	12	52.7 Å²	52.7	5%	0.053	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-68	-27.6	175.9	-80.7	-104.9	0	0	0	112.9	D203 K204 R208 I209 F323 Q326 C327 I465 T468	D203-F206 HydrophobicContact CB-CD2 3.89Å; D203-F206 HydrophobicContact CB-CE2 4.2Å; D203-F206 WeakPolarHBondContact O-CB 3.32Å; D203-F206 PolarHBondContact O-N 3.47Å; K204-F206 PolarHBondContact O-N 3.06Å; F206-R208 PolarHBondContact O-N 3.49Å; F206-I209 HydrophobicContact CB-CD1 4.1Å; F206-I209 HydrophobicContact CD1-CD1 3.47Å; F206-I209 VanDerWaalsContact CD1-CD1 3.47Å; F206-I209 HydrophobicContact CE1-CD1 4.09Å; F206-I209 HydrophobicContact CG-CD1 3.93Å; F206-I209 WeakPolarHBondContact O-CB 3.41Å; F206-I209 WeakPolarHBondContact O-CG1 3.21Å; F206-I209 PolarHBondContact O-N 2.71Å; F206-F323 HydrophobicContact CD1-CE2 4.5Å; F206-Q326 HydrophobicContact CE1-CG 4.34Å; F206-Q326 WeakPolarHBondContact CE2-O 3.23Å; F206-Q326 HydrophobicContact CZ-CG 4.11Å; F206-Q326 WeakPolarHBondContact CZ-O 3.44Å; F206-C327 HydrophobicContact CB-CB 4.5Å; F206-C327 HydrophobicContact CD1-CB 3.87Å; F206-C327 HydrophobicContact CD2-CB 4.32Å; F206-C327 HydrophobicContact CE1-CB 4.15Å; F206-C327 HydrophobicContact CG-CB 3.97Å; F206-C327 HydrophobicContact CZ-CB 4.49Å; F206-I465 HydrophobicContact CD1-CD1 4.41Å; F206-I465 HydrophobicContact CE1-CD1 3.82Å; F206-T468 HydrophobicContact CB-CG2 4.16Å; F206-T468 PolarHBondContact O-OG1 2.84Å
207	D	94.9	Very high	95.6	Very high	62 Å²	62	53.6 Å²	53.6	33%	0.332	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-67.1	-15.6	175.7	-63.3	-23.2	0	0	0	113	Y202 K204 A205 K448 T468	Y202-D207 WeakPolarHBondContact CE1-OD1 3.36Å; Y202-D207 PolarHBondContact OH-OD1 3.3Å; K204-D207 PolarHBondContact O-N 2.92Å; A205-D207 VanDerWaalsContact C-N 3.29Å; A205-D207 PolarHBondContact O-N 2.87Å; D207-K448 VanDerWaalsContact CG-NZ 3.26Å; D207-K448 IonicContact OD1-NZ 3.66Å; D207-K448 PolarHBondContact OD1-NZ 3.36Å; D207-K448 IonicContact OD2-NZ 2.64Å; D207-K448 PolarHBondContact OD2-NZ 3.42Å; D207-T468 WeakPolarHBondContact CA-OG1 3.38Å; D207-T468 PolarHBondContact OD1-OG1 2.88Å; D207-T468 VanDerWaalsContact OD1-OG1 3.06Å
208	R	95.2	Very high	95.7	Very high	190 Å²	190	61.6 Å²	61.6	72%	0.717	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-95.3	-1.1	178.5	-63.7	-174.2	-71.6	-169.6	-3.3	113.6	A205 F206	A205-R208 PolarHBondContact O-N 3.09Å; F206-R208 PolarHBondContact O-N 3.49Å
209	I	96.6	Very high	95.7	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.046	31%	0.306	C	S	.	.			trans	-68.8	133.2	177.3	-62	169.3	0	0	0	108.9	F206 K215 I465	F206-I209 HydrophobicContact CB-CD1 4.1Å; F206-I209 HydrophobicContact CD1-CD1 3.47Å; F206-I209 VanDerWaalsContact CD1-CD1 3.47Å; F206-I209 HydrophobicContact CE1-CD1 4.09Å; F206-I209 HydrophobicContact CG-CD1 3.93Å; F206-I209 WeakPolarHBondContact O-CB 3.41Å; F206-I209 WeakPolarHBondContact O-CG1 3.21Å; F206-I209 PolarHBondContact O-N 2.71Å; I209-K215 HydrophobicContact CD1-CB 4.31Å; I209-K215 HydrophobicContact CD1-CD 3.78Å; I209-K215 HydrophobicContact CD1-CG 4.13Å; I209-K215 HydrophobicContact CG1-CD 4.25Å; I209-K215 HydrophobicContact CG1-CG 4.4Å; I209-I465 HydrophobicContact CD1-CG2 4.02Å; I209-I465 HydrophobicContact CG2-CG2 4.49Å; I209-I465 WeakPolarHBondContact CG2-O 3.29Å
210	T	95	Very high	95.5	Very high	46 Å²	46	65.8 Å²	65.8	28%	0.282	31%	0.313	S	S	.	.			trans	-124.1	167.1	175.1	66.6	0	0	0	0	110.1	R212 S213 E214 L466	T210-R212 PolarHBondContact O-N 2.57Å; T210-R212 VanDerWaalsContact O-N 3.07Å; T210-S213 PolarHBondContact N-OG 3.26Å; T210-S213 CarbonylContact O-C 3.25Å; T210-S213 VanDerWaalsContact O-C 3.24Å; T210-S213 PolarHBondContact O-N 3.17Å; T210-S213 PolarHBondContact OG1-N 3.26Å; T210-S213 PolarHBondContact OG1-OG 2.67Å; T210-E214 PolarHBondContact O-N 2.93Å; T210-E214 VanDerWaalsContact O-N 3.17Å; T210-L466 CarbonylContact C-O 3.54Å
211	T	94.1	Very high	95.2	Very high	17 Å²	17	75 Å²	75	10%	0.104	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.4	179.7	69	0	0	0	0	113	R410 L413 D414 L466	T211-R410 PolarHBondContact OG1-O 3.04Å; T211-R410 VanDerWaalsContact OG1-O 3.12Å; T211-L413 HydrophobicContact CG2-CB 3.77Å; T211-L413 HydrophobicContact CG2-CD2 4.12Å; T211-L413 HydrophobicContact CG2-CG 4.44Å; T211-D414 PolarHBondContact N-OD2 3.15Å; T211-D414 PolarHBondContact OG1-OD2 2.84Å; T211-D414 VanDerWaalsContact OG1-OD2 3.08Å; T211-L466 HydrophobicContact CG2-CB 4.32Å; T211-L466 PolarHBondContact N-O 3.27Å
212	R	93.8	Very high	95	Very high	230 Å²	230	74.1 Å²	74.1	87%	0.868	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-18.1	174.7	-58.9	-174.6	-175	-152.2	0.5	113.8	T210	T210-R212 PolarHBondContact O-N 2.57Å; T210-R212 VanDerWaalsContact O-N 3.07Å
213	S	95.4	Very high	94.7	Very high	63 Å²	63	77 Å²	77	44%	0.441	36%	0.364	S	S	.	.	S	Bend	trans	-124.4	43.3	-178.9	59.8	0	0	0	0	110.4	T210	T210-S213 PolarHBondContact N-OG 3.26Å; T210-S213 CarbonylContact O-C 3.25Å; T210-S213 VanDerWaalsContact O-C 3.24Å; T210-S213 PolarHBondContact O-N 3.17Å; T210-S213 PolarHBondContact OG1-N 3.26Å; T210-S213 PolarHBondContact OG1-OG 2.67Å
214	E	95.8	Very high	94.6	Very high	65 Å²	65	78.2 Å²	78.2	30%	0.304	37%	0.368	S	S	.	.			trans	-60.6	147	-178.2	61.2	-173.1	-143.8	0	0	111.7	T210 R410 V464 I465 L466	T210-E214 PolarHBondContact O-N 2.93Å; T210-E214 VanDerWaalsContact O-N 3.17Å; E214-R410 IonicContact OE2-NE 2.75Å; E214-V464 HydrophobicContact CB-CB 4.39Å; E214-V464 HydrophobicContact CG-CB 4.49Å; E214-I465 WeakPolarHBondContact CA-O 3.35Å; E214-I465 WeakPolarHBondContact CB-O 3.24Å; E214-L466 HydrophobicContact CB-CD2 4.06Å; E214-L466 WeakPolarHBondContact OE2-CD2 3.49Å
215	K	97.2	Very high	94.5	Very high	79 Å²	79	75.2 Å²	75.2	34%	0.343	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.4	176.3	-79.2	-169.8	171.7	177.2	0	110.4	I209 L217 V464 I465	I209-K215 HydrophobicContact CD1-CB 4.31Å; I209-K215 HydrophobicContact CD1-CD 3.78Å; I209-K215 HydrophobicContact CD1-CG 4.13Å; I209-K215 HydrophobicContact CG1-CD 4.25Å; I209-K215 HydrophobicContact CG1-CG 4.4Å; K215-L217 PolarHBondContact O-N 2.83Å; K215-V464 CarbonylContact O-C 3.11Å; K215-V464 WeakPolarHBondContact O-CA 3.29Å; K215-I465 PolarHBondContact N-O 3.05Å; K215-I465 VanDerWaalsContact N-O 3.14Å; K215-I465 PolarHBondContact O-N 3.46Å
216	P	97.6	Very high	94.3	Very high	82 Å²	82	77.5 Å²	77.5	53%	0.532	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.8	173.5	27.6	-33.5	0	0	0	110.5	Q326	P216-Q326 PolarHBondContact O-NE2 3.45Å
217	L	97.8	Very high	94.2	Very high	21 Å²	21	78.3 Å²	78.3	11%	0.11	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72.2	128.4	168.3	-169.2	78	0	0	0	108	K215 I319 N322 F323 V452 H463 I465	K215-L217 PolarHBondContact O-N 2.83Å; L217-I319 HydrophobicContact CD2-CB 4.38Å; L217-I319 HydrophobicContact CD2-CG1 4.21Å; L217-I319 HydrophobicContact CD2-CG2 4.19Å; L217-N322 HydrophobicContact CD1-CB 4.3Å; L217-N322 HydrophobicContact CD2-CB 4.12Å; L217-N322 HydrophobicContact CG-CB 4.19Å; L217-F323 HydrophobicContact CD1-CB 3.93Å; L217-F323 HydrophobicContact CD1-CD2 4.32Å; L217-V452 HydrophobicContact CD1-CG2 4.46Å; L217-V452 HydrophobicContact CD2-CG1 4.19Å; L217-H463 HydrophobicContact CB-CB 3.93Å; L217-H463 HydrophobicContact CD2-CB 3.95Å; L217-H463 PolarHBondContact N-O 3.2Å; L217-I465 HydrophobicContact CB-CG1 4.45Å; L217-I465 HydrophobicContact CD1-CD1 4.02Å; L217-I465 HydrophobicContact CD1-CG1 3.98Å
218	R	96.1	Very high	94.2	Very high	173 Å²	173	75.5 Å²	75.5	65%	0.653	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-98.5	143.4	179.6	-64.3	-179.4	-175	177.6	-0.1	109	I220 N322	R218-I220 HydrophobicContact CB-CG1 4.47Å; R218-I220 PolarHBondContact O-N 3.05Å; R218-N322 PolarHBondContact O-OD1 2.78Å
219	S	93.6	Very high	94.3	Very high	78 Å²	78	66.4 Å²	66.4	55%	0.545	32%	0.323	S	S	.	.			trans	-72.4	114	166.8	-168.1	0	0	0	0	108.4	Y318 N322	S219-Y318 WeakPolarHBondContact CB-OH 3.39Å; S219-Y318 PolarHBondContact OG-OH 2.88Å; S219-N322 WeakPolarHBondContact CA-OD1 3.11Å
220	I	92.1	Very high	94.1	Very high	28 Å²	28	67.8 Å²	67.8	14%	0.144	33%	0.332	C	S	.	.			trans	-112.2	118.7	179.9	-69.5	150.5	0	0	0	106.9	R218 R222 N322 Q325 Q326 M330	R218-I220 HydrophobicContact CB-CG1 4.47Å; R218-I220 PolarHBondContact O-N 3.05Å; I220-R222 HydrophobicContact CG2-CG 3.7Å; I220-R222 PolarHBondContact O-N 2.75Å; I220-N322 WeakPolarHBondContact CD1-O 3.41Å; I220-N322 PolarHBondContact N-OD1 3.5Å; I220-N322 PolarHBondContact O-OD1 2.83Å; I220-Q325 HydrophobicContact CD1-CB 4.36Å; I220-Q325 HydrophobicContact CG2-CB 4.01Å; I220-Q326 HydrophobicContact CD1-CB 3.41Å; I220-Q326 VanDerWaalsContact CD1-CB 3.41Å; I220-Q326 HydrophobicContact CD1-CG 3.95Å; I220-M330 HydrophobicContact CB-CE 4.49Å; I220-M330 HydrophobicContact CD1-CE 3.5Å; I220-M330 HydrophobicContact CG1-CE 3.91Å; I220-M330 HydrophobicContact CG2-CE 3.82Å
221	K	90.2	Very high	94.1	Very high	195 Å²	195	69.3 Å²	69.3	85%	0.848	34%	0.339	S	S	*	.			trans	-87.2	103.7	175.9	-62.5	-175.5	178.9	-173.2	0	108
222	R	91.2	Very high	94.2	Very high	38 Å²	38	68.5 Å²	68.5	14%	0.143	33%	0.334	C	S	.	.			trans	-134.4	149.9	170	-68.8	-68.3	-174.5	117	6.8	108.7	E200 I220 F224 Q325 N351 E352 I353 A354	E200-R222 IonicContact OE1-CZ 2.81Å; E200-R222 IonicContact OE1-NH1 2.63Å; E200-R222 IonicContact OE1-NH2 3.36Å; E200-R222 PolarHBondContact OE1-NH2 2.93Å; I220-R222 HydrophobicContact CG2-CG 3.7Å; I220-R222 PolarHBondContact O-N 2.75Å; R222-F224 HydrophobicContact CB-CE2 4.21Å; R222-F224 WeakPolarHBondContact O-CD2 3.18Å; R222-Q325 HydrophobicContact CG-CG 4.3Å; R222-N351 WeakPolarHBondContact CD-O 3.48Å; R222-N351 PolarHBondContact NE-O 3.34Å; R222-N351 PolarHBondContact NH1-O 2.81Å; R222-E352 CarbonylContact C-O 3.56Å; R222-E352 WeakPolarHBondContact CA-O 3.43Å; R222-E352 WeakPolarHBondContact CD-O 3.28Å; R222-I353 PolarHBondContact NH1-O 2.92Å; R222-A354 HydrophobicContact CB-CB 4.14Å
223	I	91.7	Very high	94.3	Very high	67 Å²	67	60 Å²	60	34%	0.344	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-83.1	123.4	177.5	-56.1	171.9	0	0	0	108.1	M348 E352 A354	I223-M348 HydrophobicContact CD1-SD 3.93Å; I223-E352 HydrophobicContact CD1-CB 4.45Å; I223-E352 PolarHBondContact N-O 3.07Å; I223-A354 VanDerWaalsContact O-CB 3.32Å; I223-A354 WeakPolarHBondContact O-CB 3.32Å; I223-A354 PolarHBondContact O-N 2.86Å
224	F	92.7	Very high	94.3	Very high	62 Å²	62	57.6 Å²	57.6	27%	0.272	29%	0.291	S	S	.	.			trans	-108.4	122	173.3	-70.9	-93.1	0	0	0	108	R222 H321 Q325 A354	R222-F224 HydrophobicContact CB-CE2 4.21Å; R222-F224 WeakPolarHBondContact O-CD2 3.18Å; F224-H321 HydrophobicContact CD2-CB 4.19Å; F224-H321 AromaticContact CD2-CG 3.98Å; F224-H321 AromaticContact CD2-ND1 3.9Å; F224-H321 HydrophobicContact CE1-CB 4.34Å; F224-H321 HydrophobicContact CE2-CB 3.58Å; F224-H321 AromaticContact CE2-CG 3.86Å; F224-H321 HydrophobicContact CZ-CB 3.66Å; F224-H321 AromaticContact CZ-CG 3.97Å; F224-H321 WeakPolarHBondContact CZ-O 3.35Å; F224-Q325 HydrophobicContact CE1-CG 4.47Å; F224-Q325 HydrophobicContact CE2-CG 4.44Å; F224-Q325 HydrophobicContact CZ-CG 3.68Å; F224-A354 HydrophobicContact CD1-CB 3.82Å; F224-A354 HydrophobicContact CD2-CB 4.42Å; F224-A354 HydrophobicContact CE1-CB 3.68Å; F224-A354 HydrophobicContact CE2-CB 4.29Å; F224-A354 HydrophobicContact CG-CB 4.2Å; F224-A354 HydrophobicContact CZ-CB 3.94Å
225	H	92.3	Very high	94.4	Very high	37 Å²	37	54.5 Å²	54.5	17%	0.171	28%	0.276	C	S	.	.			trans	-91.5	118.6	179.5	-59.6	93.8	0	0	0	108.9	V227 F343 V344	H225-V227 HydrophobicContact CB-CG2 4.14Å; H225-F343 HydrophobicContact CB-CB 4.19Å; H225-F343 HydrophobicContact CB-CD2 4.27Å; H225-F343 HydrophobicContact CB-CG 4.4Å; H225-V344 WeakPolarHBondContact CE1-CG1 3.33Å
226	T	91.4	Very high	94.3	Very high	73 Å²	73	57.4 Å²	57.4	45%	0.448	29%	0.285	S	S	.	.			trans	-106.8	37	178.8	50.7	0	0	0	0	111.6	K280 D287	T226-K280 WeakPolarHBondContact O-CE 3.4Å; T226-K280 PolarHBondContact O-NZ 2.75Å; T226-D287 WeakPolarHBondContact CB-OD2 3.3Å
227	V	94.5	Very high	94.2	Very high	30 Å²	30	59.9 Å²	59.9	18%	0.182	29%	0.288	C	S	.	.			trans	-58.1	136.3	-174.4	-173.7	0	0	0	0	111.4	H225 D231 D232 F343 R374	H225-V227 HydrophobicContact CB-CG2 4.14Å; V227-D231 HydrophobicContact CG1-CB 3.68Å; V227-D232 HydrophobicContact CG1-CB 4.46Å; V227-F343 HydrophobicContact CB-CD1 4.1Å; V227-F343 HydrophobicContact CB-CE1 3.92Å; V227-F343 HydrophobicContact CB-CZ 4.4Å; V227-F343 HydrophobicContact CG1-CD1 4.15Å; V227-F343 HydrophobicContact CG1-CE1 3.87Å; V227-F343 HydrophobicContact CG2-CB 4.39Å; V227-F343 HydrophobicContact CG2-CD1 3.62Å; V227-F343 HydrophobicContact CG2-CE1 3.98Å; V227-F343 HydrophobicContact CG2-CG 3.93Å; V227-R374 PolarHBondContact O-NH1 3.05Å; V227-R374 PolarHBondContact O-NH2 2.92Å
228	T	95	Very high	94	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.012	28%	0.284	C	S	.	.			trans	-64.1	177.5	175.4	55.6	0	0	0	0	111.9	D231 D279 K280 D282 R374	T228-D231 WeakPolarHBondContact OG1-CB 3.3Å; T228-D231 PolarHBondContact OG1-N 2.82Å; T228-D231 PolarHBondContact OG1-OD2 3.19Å; T228-D279 WeakPolarHBondContact CB-OD1 3.43Å; T228-K280 HydrophobicContact CG2-CG 4.06Å; T228-D282 WeakPolarHBondContact CG2-OD1 3.37Å; T228-R374 PolarHBondContact O-NH1 3.15Å
229	T	95.4	Very high	93.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-75.3	-38.8	177.1	-61.7	0	0	0	0	111.2	I235 F246 T248 F277 F278 D279	T229-I235 HydrophobicContact CG2-CD1 3.91Å; T229-I235 HydrophobicContact CG2-CG2 4.15Å; T229-F246 HydrophobicContact CG2-CB 3.92Å; T229-T248 PolarHBondContact OG1-N 3.5Å; T229-F277 HydrophobicContact CG2-CD1 4.3Å; T229-F278 VanDerWaalsContact CB-O 3.26Å; T229-F278 WeakPolarHBondContact CB-O 3.09Å; T229-F278 PolarHBondContact OG1-O 3.16Å; T229-D279 PolarHBondContact N-OD1 2.81Å
230	T	93.4	Very high	93.9	Very high	37 Å²	37	56.7 Å²	56.7	23%	0.227	27%	0.27	C	S	.	.	S	Bend	trans	-76.6	-38.2	-176.8	48.4	0	0	0	0	112.8	D232 R236 F277 D279	T230-D232 PolarHBondContact O-N 3.43Å; T230-R236 VanDerWaalsContact O-CD 3.29Å; T230-R236 WeakPolarHBondContact O-CD 3.31Å; T230-R236 VanDerWaalsContact O-CG 3.32Å; T230-R236 WeakPolarHBondContact O-CG 3.4Å; T230-R236 PolarHBondContact O-NE 3.21Å; T230-F277 HydrophobicContact CG2-CB 4.29Å; T230-D279 VanDerWaalsContact CB-OD2 3.3Å; T230-D279 WeakPolarHBondContact CB-OD2 3.21Å; T230-D279 WeakPolarHBondContact CG2-OD2 3.39Å; T230-D279 PolarHBondContact N-OD2 2.67Å; T230-D279 PolarHBondContact OG1-OD2 3.2Å
231	D	94.3	Very high	94	Very high	79 Å²	79	60.5 Å²	60.5	42%	0.422	29%	0.294	S	S	.	.	S	Bend	trans	-70.3	-20.4	178.3	-60.4	-18.2	0	0	0	112.9	V227 T228 P233 R236	V227-D231 HydrophobicContact CG1-CB 3.68Å; T228-D231 WeakPolarHBondContact OG1-CB 3.3Å; T228-D231 PolarHBondContact OG1-N 2.82Å; T228-D231 PolarHBondContact OG1-OD2 3.19Å; D231-P233 VanDerWaalsContact O-CD 3.3Å; D231-P233 WeakPolarHBondContact O-CD 3.3Å; D231-P233 VanDerWaalsContact O-N 3.16Å; D231-R236 PolarHBondContact O-NH2 3.37Å
232	D	96.3	Very high	94.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.			trans	-64.6	113.8	-177	-173.3	-38.5	0	0	0	111.7	V227 T230 V234 I235 R236 F343 Y360 R374	V227-D232 HydrophobicContact CG1-CB 4.46Å; T230-D232 PolarHBondContact O-N 3.43Å; D232-V234 VanDerWaalsContact C-N 3.27Å; D232-V234 PolarHBondContact O-N 2.94Å; D232-V234 WeakPolarHBondContact OD1-CA 3.4Å; D232-V234 WeakPolarHBondContact OD1-CB 3.37Å; D232-V234 PolarHBondContact OD1-N 3.17Å; D232-I235 HydrophobicContact CB-CB 3.98Å; D232-I235 HydrophobicContact CB-CD1 4.07Å; D232-I235 HydrophobicContact CB-CG1 3.95Å; D232-I235 PolarHBondContact O-N 3.35Å; D232-I235 PolarHBondContact OD1-N 2.84Å; D232-I235 VanDerWaalsContact OD1-N 3.11Å; D232-R236 PolarHBondContact O-N 3.04Å; D232-F343 HydrophobicContact CB-CE1 4.3Å; D232-F343 WeakPolarHBondContact OD2-CZ 3.08Å; D232-Y360 PolarHBondContact OD1-OH 2.81Å; D232-Y360 PolarHBondContact OD2-OH 3.32Å; D232-Y360 VanDerWaalsContact OD2-OH 3.05Å; D232-R374 WeakPolarHBondContact OD2-CD 3.27Å; D232-R374 IonicContact OD2-CZ 2.7Å; D232-R374 IonicContact OD2-NE 3.44Å; D232-R374 IonicContact OD2-NH1 2.98Å; D232-R374 PolarHBondContact OD2-NH1 3.08Å
233	P	95.9	Very high	94.1	Very high	52 Å²	52	52.6 Å²	52.6	34%	0.338	27%	0.266	S	S	.	.	H	α-helix	trans	-67.7	-28.1	-175	28.4	-35.1	0	0	0	112.5	D231 K237 P342	D231-P233 VanDerWaalsContact O-CD 3.3Å; D231-P233 WeakPolarHBondContact O-CD 3.3Å; D231-P233 VanDerWaalsContact O-N 3.16Å; P233-K237 WeakPolarHBondContact O-CB 3.35Å; P233-K237 PolarHBondContact O-N 2.92Å; P233-P342 HydrophobicContact CG-CB 4.24Å
234	V	96.3	Very high	94.4	Very high	11 Å²	11	50.8 Å²	50.8	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-73.7	-41.6	177.2	-175.7	0	0	0	0	109.6	D232 K237 L238 P342 Y360	D232-V234 VanDerWaalsContact C-N 3.27Å; D232-V234 PolarHBondContact O-N 2.94Å; D232-V234 WeakPolarHBondContact OD1-CA 3.4Å; D232-V234 WeakPolarHBondContact OD1-CB 3.37Å; D232-V234 PolarHBondContact OD1-N 3.17Å; V234-K237 PolarHBondContact O-N 3.09Å; V234-L238 HydrophobicContact CG1-CD1 4.03Å; V234-L238 HydrophobicContact CG1-CG 4.35Å; V234-L238 WeakPolarHBondContact O-CB 3.25Å; V234-L238 VanDerWaalsContact O-CG 3.23Å; V234-L238 WeakPolarHBondContact O-CG 3.32Å; V234-L238 PolarHBondContact O-N 3.31Å; V234-P342 HydrophobicContact CG2-CB 3.65Å; V234-P342 HydrophobicContact CG2-CG 3.92Å; V234-Y360 HydrophobicContact CB-CE1 3.85Å; V234-Y360 HydrophobicContact CB-CE2 3.83Å; V234-Y360 VanDerWaalsContact CB-CZ 3.46Å; V234-Y360 HydrophobicContact CG1-CD1 4.06Å; V234-Y360 HydrophobicContact CG1-CD2 3.74Å; V234-Y360 HydrophobicContact CG1-CE1 3.87Å; V234-Y360 HydrophobicContact CG1-CE2 3.54Å; V234-Y360 HydrophobicContact CG1-CG 4Å; V234-Y360 HydrophobicContact CG2-CE2 4.02Å
235	I	96.6	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-44.1	174.4	-64.6	-174.5	0	0	0	110.7	T229 D232 K237 L238 A239 F246 F277 Y360 R374	T229-I235 HydrophobicContact CG2-CD1 3.91Å; T229-I235 HydrophobicContact CG2-CG2 4.15Å; D232-I235 HydrophobicContact CB-CB 3.98Å; D232-I235 HydrophobicContact CB-CD1 4.07Å; D232-I235 HydrophobicContact CB-CG1 3.95Å; D232-I235 PolarHBondContact O-N 3.35Å; D232-I235 PolarHBondContact OD1-N 2.84Å; D232-I235 VanDerWaalsContact OD1-N 3.11Å; I235-K237 VanDerWaalsContact C-N 3.32Å; I235-K237 PolarHBondContact O-N 3.41Å; I235-L238 PolarHBondContact O-N 3.32Å; I235-L238 VanDerWaalsContact O-N 3.14Å; I235-A239 WeakPolarHBondContact O-CB 3.25Å; I235-A239 PolarHBondContact O-N 2.92Å; I235-F246 HydrophobicContact CG2-CB 3.83Å; I235-F246 HydrophobicContact CG2-CD1 3.76Å; I235-F246 HydrophobicContact CG2-CG 3.98Å; I235-F277 HydrophobicContact CG2-CE1 4.41Å; I235-Y360 HydrophobicContact CD1-CE1 4.45Å; I235-Y360 HydrophobicContact CG1-CD1 4.2Å; I235-Y360 HydrophobicContact CG1-CE1 3.81Å; I235-R374 HydrophobicContact CD1-CB 4.29Å
236	R	95.4	Very high	94.9	Very high	141 Å²	141	46.1 Å²	46.1	53%	0.532	24%	0.236	S	C	.	.	H	α-helix	trans	-57.1	-43.4	175.3	-74	-172.5	-76.7	172	-8	112.4	T230 D231 D232 A239 K240	T230-R236 VanDerWaalsContact O-CD 3.29Å; T230-R236 WeakPolarHBondContact O-CD 3.31Å; T230-R236 VanDerWaalsContact O-CG 3.32Å; T230-R236 WeakPolarHBondContact O-CG 3.4Å; T230-R236 PolarHBondContact O-NE 3.21Å; D231-R236 PolarHBondContact O-NH2 3.37Å; D232-R236 PolarHBondContact O-N 3.04Å; R236-A239 PolarHBondContact O-N 2.95Å; R236-K240 PolarHBondContact O-N 3.25Å
237	K	95.6	Very high	95.2	Very high	134 Å²	134	42.6 Å²	42.6	58%	0.583	22%	0.215	S	C	*	.	H	α-helix	trans	-63.6	-44.7	174.3	-179	-175.3	174.8	-169.6	0	112.3	P233 V234 I235 A239 K240	P233-K237 WeakPolarHBondContact O-CB 3.35Å; P233-K237 PolarHBondContact O-N 2.92Å; V234-K237 PolarHBondContact O-N 3.09Å; I235-K237 VanDerWaalsContact C-N 3.32Å; I235-K237 PolarHBondContact O-N 3.41Å; K237-A239 VanDerWaalsContact C-N 3.34Å; K237-K240 PolarHBondContact O-N 2.78Å
238	L	94.4	Very high	95.4	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-40.2	178.5	-70.8	173.2	0	0	0	111.2	I193 V234 I235 K240 T241 Q242 F246 Y360 I372	I193-L238 HydrophobicContact CD1-CD2 4.44Å; I193-L238 HydrophobicContact CG2-CD2 3.72Å; V234-L238 HydrophobicContact CG1-CD1 4.03Å; V234-L238 HydrophobicContact CG1-CG 4.35Å; V234-L238 WeakPolarHBondContact O-CB 3.25Å; V234-L238 VanDerWaalsContact O-CG 3.23Å; V234-L238 WeakPolarHBondContact O-CG 3.32Å; V234-L238 PolarHBondContact O-N 3.31Å; I235-L238 PolarHBondContact O-N 3.32Å; I235-L238 VanDerWaalsContact O-N 3.14Å; L238-K240 PolarHBondContact O-N 3.19Å; L238-T241 PolarHBondContact O-N 2.9Å; L238-T241 PolarHBondContact O-OG1 2.64Å; L238-Q242 CarbonylContact C-O 3.52Å; L238-Q242 PolarHBondContact O-N 3.02Å; L238-F246 HydrophobicContact CB-CE1 4.43Å; L238-Y360 HydrophobicContact CD1-CD1 4.06Å; L238-Y360 HydrophobicContact CD1-CG 4.14Å; L238-I372 HydrophobicContact CB-CD1 4.47Å; L238-I372 HydrophobicContact CD1-CG2 4.06Å
239	A	94.4	Very high	95.5	Very high	10 Å²	10	41.5 Å²	41.5	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-31.9	177.9	0	0	0	0	0	112.8	I235 R236 K237 T241 F246 K275 F277	I235-A239 WeakPolarHBondContact O-CB 3.25Å; I235-A239 PolarHBondContact O-N 2.92Å; R236-A239 PolarHBondContact O-N 2.95Å; K237-A239 VanDerWaalsContact C-N 3.34Å; A239-T241 VanDerWaalsContact C-N 3.27Å; A239-T241 PolarHBondContact O-N 3.05Å; A239-F246 VanDerWaalsContact CA-CZ 3.48Å; A239-F246 HydrophobicContact CB-CE1 4.14Å; A239-F246 HydrophobicContact CB-CE2 4.08Å; A239-F246 HydrophobicContact CB-CZ 3.83Å; A239-K275 WeakPolarHBondContact O-CE 3.32Å; A239-K275 PolarHBondContact O-NZ 3.16Å; A239-F277 HydrophobicContact CB-CE1 4.02Å; A239-F277 HydrophobicContact CB-CZ 3.88Å
240	K	93.6	Very high	95.5	Very high	187 Å²	187	42.7 Å²	42.7	81%	0.813	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-20	174.6	-66.2	-178.8	-178.9	-173	0	113.6	R236 K237 L238	R236-K240 PolarHBondContact O-N 3.25Å; K237-K240 PolarHBondContact O-N 2.78Å; L238-K240 PolarHBondContact O-N 3.19Å
241	T	92.5	Very high	95.7	Very high	107 Å²	107	40.9 Å²	40.9	66%	0.656	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-40.9	-168.3	57	0	0	0	0	115	L238 A239	L238-T241 PolarHBondContact O-N 2.9Å; L238-T241 PolarHBondContact O-OG1 2.64Å; A239-T241 VanDerWaalsContact C-N 3.27Å; A239-T241 PolarHBondContact O-N 3.05Å
242	Q	92.3	Very high	95.9	Very high	54 Å²	54	37.1 Å²	37.1	25%	0.252	19%	0.186	S	C	.	.	S	Bend	trans	-158.1	160.6	-174.7	57.8	178.4	-10.5	0	0	112.1	L238 F246 I372	L238-Q242 CarbonylContact C-O 3.52Å; L238-Q242 PolarHBondContact O-N 3.02Å; Q242-F246 VanDerWaalsContact O-CZ 3.3Å; Q242-F246 WeakPolarHBondContact O-CZ 3.04Å; Q242-I372 HydrophobicContact CG-CD1 4.03Å; Q242-I372 WeakPolarHBondContact O-CD1 3.47Å
243	G	93	Very high	96	Very high	14 Å²	14	37.1 Å²	37.1	14%	0.144	19%	0.186	C	C	.	.			trans	86.1	151.4	-177.8	0	0	0	0	0	113.1	F246 D370	G243-F246 WeakPolarHBondContact O-CZ 3.44Å; G243-D370 PolarHBondContact N-OD2 3.22Å
244	N	96.3	Very high	96.1	Very high	29 Å²	29	34.7 Å²	34.7	16%	0.155	17%	0.171	C	C	.	.	S	Bend	trans	-130	-7.8	172.6	63.9	2.7	0	0	0	113.2	K275 L276 D368 D370 M499	N244-K275 CarbonylContact O-C 3.59Å; N244-K275 VanDerWaalsContact O-CA 3.3Å; N244-K275 WeakPolarHBondContact O-CA 3.26Å; N244-L276 PolarHBondContact O-N 2.88Å; N244-D368 PolarHBondContact ND2-O 3.22Å; N244-D370 PolarHBondContact N-O 3.42Å; N244-D370 PolarHBondContact OD1-N 3.15Å; N244-D370 PolarHBondContact OD1-O 3.27Å; N244-D370 VanDerWaalsContact OD1-O 3.07Å; N244-M499 HydrophobicContact CB-CE 4.26Å
245	V	97.7	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.9	170.7	-176	0	0	0	0	108.8	L276 F278 I369 D370 L371 I372 I495 M499	V245-L276 CarbonylContact C-O 3.56Å; V245-L276 WeakPolarHBondContact CA-O 3.3Å; V245-L276 HydrophobicContact CG2-CB 4.28Å; V245-F278 HydrophobicContact CG1-CD2 3.83Å; V245-F278 HydrophobicContact CG1-CE2 3.58Å; V245-I369 HydrophobicContact CG2-CG2 4.02Å; V245-D370 PolarHBondContact N-O 3.19Å; V245-D370 VanDerWaalsContact N-O 3.12Å; V245-L371 HydrophobicContact CB-CD1 3.87Å; V245-L371 HydrophobicContact CG1-CD1 3.52Å; V245-I372 PolarHBondContact O-N 3.44Å; V245-I495 HydrophobicContact CG1-CD1 4.19Å; V245-I495 HydrophobicContact CG1-CG1 4.4Å; V245-I495 HydrophobicContact CG2-CG2 3.89Å; V245-M499 HydrophobicContact CG2-CE 3.5Å
246	F	98.3	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.6	-178	-55.9	-88.3	0	0	0	110.2	T229 I235 L238 A239 Q242 G243 K275 L276 F277 F278 I372	T229-F246 HydrophobicContact CG2-CB 3.92Å; I235-F246 HydrophobicContact CG2-CB 3.83Å; I235-F246 HydrophobicContact CG2-CD1 3.76Å; I235-F246 HydrophobicContact CG2-CG 3.98Å; L238-F246 HydrophobicContact CB-CE1 4.43Å; A239-F246 VanDerWaalsContact CA-CZ 3.48Å; A239-F246 HydrophobicContact CB-CE1 4.14Å; A239-F246 HydrophobicContact CB-CE2 4.08Å; A239-F246 HydrophobicContact CB-CZ 3.83Å; Q242-F246 VanDerWaalsContact O-CZ 3.3Å; Q242-F246 WeakPolarHBondContact O-CZ 3.04Å; G243-F246 WeakPolarHBondContact O-CZ 3.44Å; F246-K275 HydrophobicContact CE2-CB 4.34Å; F246-K275 HydrophobicContact CE2-CD 4.26Å; F246-K275 HydrophobicContact CE2-CG 4.33Å; F246-L276 PolarHBondContact N-O 2.87Å; F246-F277 HydrophobicContact CB-CD1 3.74Å; F246-F277 HydrophobicContact CB-CE1 4.03Å; F246-F277 AromaticContact CD2-CD1 3.85Å; F246-F277 HydrophobicContact CD2-CD1 3.85Å; F246-F277 AromaticContact CD2-CE1 3.46Å; F246-F277 HydrophobicContact CD2-CE1 3.46Å; F246-F277 VanDerWaalsContact CD2-CE1 3.46Å; F246-F277 HydrophobicContact CD2-CE2 4.49Å; F246-F277 AromaticContact CD2-CZ 3.83Å; F246-F277 HydrophobicContact CD2-CZ 3.83Å; F246-F277 HydrophobicContact CE2-CE1 4.13Å; F246-F277 HydrophobicContact CE2-CZ 4.13Å; F246-F277 HydrophobicContact CG-CD1 4.05Å; F246-F277 AromaticContact CG-CE1 3.82Å; F246-F277 HydrophobicContact CG-CE1 3.82Å; F246-F278 PolarHBondContact O-N 2.87Å; F246-I372 WeakPolarHBondContact CA-O 3.34Å; F246-I372 HydrophobicContact CD1-CB 3.85Å; F246-I372 HydrophobicContact CD1-CD1 4.47Å; F246-I372 HydrophobicContact CD1-CG2 4.15Å; F246-I372 HydrophobicContact CE1-CB 4.05Å; F246-I372 HydrophobicContact CE1-CD1 3.79Å; F246-I372 HydrophobicContact CE1-CG1 4.33Å; F246-I372 HydrophobicContact CE1-CG2 4.44Å
247	A	98	Very high	96.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	163.1	177.7	0	0	0	0	0	111.9	L252 F278 I372 V373 R374	A247-L252 HydrophobicContact CB-CD1 4.19Å; A247-L252 HydrophobicContact CB-CD2 3.67Å; A247-L252 HydrophobicContact CB-CG 3.64Å; A247-F278 HydrophobicContact CB-CB 4.02Å; A247-F278 HydrophobicContact CB-CD2 4.48Å; A247-I372 PolarHBondContact N-O 3.46Å; A247-V373 VanDerWaalsContact O-CA 3.3Å; A247-V373 WeakPolarHBondContact O-CA 3.38Å; A247-R374 PolarHBondContact O-N 3.18Å; A247-R374 VanDerWaalsContact O-N 3.09Å
248	T	97.9	Very high	96.3	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	157.2	162.9	62.6	0	0	0	0	111.3	T229 A250 I251 L252	T229-T248 PolarHBondContact OG1-N 3.5Å; T248-A250 VanDerWaalsContact C-N 3.26Å; T248-A250 PolarHBondContact O-N 2.92Å; T248-I251 PolarHBondContact O-N 2.94Å; T248-I251 WeakPolarHBondContact OG1-CD1 3.45Å; T248-I251 VanDerWaalsContact OG1-CG1 3.29Å; T248-I251 WeakPolarHBondContact OG1-CG1 3.48Å; T248-L252 PolarHBondContact O-N 3.29Å
249	D	97.3	Very high	96.4	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.032	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-33.2	177.1	65.6	-9	0	0	0	113.1	L252 A253 V373 R374 E376 C438 L441	D249-L252 PolarHBondContact O-N 3.39Å; D249-A253 WeakPolarHBondContact O-CB 3.21Å; D249-A253 PolarHBondContact O-N 3.23Å; D249-V373 HydrophobicContact CB-CG1 4.28Å; D249-R374 WeakPolarHBondContact CB-O 3.33Å; D249-R374 PolarHBondContact N-O 3.42Å; D249-E376 PolarHBondContact OD2-N 3Å; D249-E376 VanDerWaalsContact OD2-N 3.15Å; D249-C438 HydrophobicContact CB-CB 4.5Å; D249-L441 HydrophobicContact CB-CD1 4.4Å
250	A	96.7	Very high	96.5	Very high	24 Å²	24	24.1 Å²	24.1	20%	0.198	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-41.6	175.9	0	0	0	0	0	112.3	T248 T254 F286	T248-A250 VanDerWaalsContact C-N 3.26Å; T248-A250 PolarHBondContact O-N 2.92Å; A250-T254 WeakPolarHBondContact O-CB 3.48Å; A250-T254 PolarHBondContact O-N 3.07Å; A250-T254 PolarHBondContact O-OG1 2.96Å; A250-F286 HydrophobicContact CB-CE1 4.33Å
251	I	97.9	Very high	96.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.8	-48.3	177.7	-64.9	172.1	0	0	0	110.1	T248 A253 T254 L255 I267 F278 K280 F286	T248-I251 PolarHBondContact O-N 2.94Å; T248-I251 WeakPolarHBondContact OG1-CD1 3.45Å; T248-I251 VanDerWaalsContact OG1-CG1 3.29Å; T248-I251 WeakPolarHBondContact OG1-CG1 3.48Å; I251-A253 PolarHBondContact O-N 3.21Å; I251-T254 WeakPolarHBondContact O-CB 3.5Å; I251-T254 PolarHBondContact O-N 3.45Å; I251-T254 VanDerWaalsContact O-N 3.15Å; I251-L255 PolarHBondContact O-N 3.01Å; I251-L255 VanDerWaalsContact O-N 3.13Å; I251-I267 HydrophobicContact CG2-CD1 3.89Å; I251-I267 HydrophobicContact CG2-CG1 4.26Å; I251-I267 HydrophobicContact CG2-CG2 3.79Å; I251-F278 VanDerWaalsContact CD1-O 3.31Å; I251-F278 WeakPolarHBondContact CD1-O 3.2Å; I251-F278 HydrophobicContact CG2-CB 3.77Å; I251-K280 HydrophobicContact CD1-CB 4.28Å; I251-K280 HydrophobicContact CD1-CG 4.39Å; I251-K280 HydrophobicContact CG1-CB 4.48Å; I251-F286 HydrophobicContact CG1-CE1 4.26Å; I251-F286 HydrophobicContact CG1-CZ 4.17Å
252	L	97.4	Very high	96.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.4	-40	178.2	-69.3	-167.4	0	0	0	113	A247 T248 D249 T254 L255 M256 L371 V373 L441 L491	A247-L252 HydrophobicContact CB-CD1 4.19Å; A247-L252 HydrophobicContact CB-CD2 3.67Å; A247-L252 HydrophobicContact CB-CG 3.64Å; T248-L252 PolarHBondContact O-N 3.29Å; D249-L252 PolarHBondContact O-N 3.39Å; L252-T254 PolarHBondContact O-N 2.91Å; L252-L255 HydrophobicContact CD2-CD1 4.38Å; L252-L255 PolarHBondContact O-N 2.96Å; L252-M256 VanDerWaalsContact O-CB 3.27Å; L252-M256 WeakPolarHBondContact O-CB 3.48Å; L252-M256 VanDerWaalsContact O-CG 3.28Å; L252-M256 WeakPolarHBondContact O-CG 3.49Å; L252-M256 PolarHBondContact O-N 3.3Å; L252-L371 HydrophobicContact CD1-CD1 4.23Å; L252-L371 HydrophobicContact CD1-CD2 3.99Å; L252-V373 HydrophobicContact CD1-CB 4.14Å; L252-V373 HydrophobicContact CD1-CG1 3.67Å; L252-V373 HydrophobicContact CD1-CG2 3.32Å; L252-V373 HydrophobicContact CG-CG1 4.39Å; L252-L441 HydrophobicContact CB-CD1 3.96Å; L252-L441 HydrophobicContact CD1-CD1 4.44Å; L252-L491 HydrophobicContact CD1-CD2 4.26Å; L252-L491 HydrophobicContact CD2-CD1 3.63Å; L252-L491 HydrophobicContact CD2-CD2 4Å; L252-L491 HydrophobicContact CD2-CG 4.5Å
253	A	97.8	Very high	96.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.3	-34.4	176	0	0	0	0	0	112	D249 I251 S257 R434 C437 C438	D249-A253 WeakPolarHBondContact O-CB 3.21Å; D249-A253 PolarHBondContact O-N 3.23Å; I251-A253 PolarHBondContact O-N 3.21Å; A253-S257 WeakPolarHBondContact O-CB 3.08Å; A253-S257 PolarHBondContact O-N 3.01Å; A253-S257 PolarHBondContact O-OG 3.46Å; A253-R434 HydrophobicContact CB-CB 4.25Å; A253-R434 WeakPolarHBondContact CB-O 3.49Å; A253-C437 HydrophobicContact CB-CB 3.72Å; A253-C438 WeakPolarHBondContact CB-SG 3.48Å
254	T	98	Very high	97	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-66	-44.1	176	-59.7	0	0	0	0	110.9	A250 I251 L252 C258 W265 I267 F286 Y430 R434	A250-T254 WeakPolarHBondContact O-CB 3.48Å; A250-T254 PolarHBondContact O-N 3.07Å; A250-T254 PolarHBondContact O-OG1 2.96Å; I251-T254 WeakPolarHBondContact O-CB 3.5Å; I251-T254 PolarHBondContact O-N 3.45Å; I251-T254 VanDerWaalsContact O-N 3.15Å; L252-T254 PolarHBondContact O-N 2.91Å; T254-C258 WeakPolarHBondContact O-CA 3.49Å; T254-C258 PolarHBondContact O-N 3.41Å; T254-W265 HydrophobicContact CG2-CD2 3.68Å; T254-W265 HydrophobicContact CG2-CE3 3.75Å; T254-W265 HydrophobicContact CG2-CG 4.16Å; T254-W265 HydrophobicContact CG2-CH2 4.48Å; T254-W265 HydrophobicContact CG2-CZ2 4.4Å; T254-W265 HydrophobicContact CG2-CZ3 4.17Å; T254-I267 HydrophobicContact CG2-CD1 3.99Å; T254-F286 HydrophobicContact CG2-CE2 3.91Å; T254-F286 HydrophobicContact CG2-CZ 4.09Å; T254-F286 WeakPolarHBondContact OG1-CZ 3.24Å; T254-Y430 WeakPolarHBondContact CG2-OH 3.15Å; T254-Y430 PolarHBondContact O-OH 2.83Å; T254-R434 PolarHBondContact OG1-NE 3.43Å
255	L	97.4	Very high	97	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-67.2	-50.9	174.5	-69.4	174.2	0	0	0	112.5	I251 L252 S257 C258 W265 I267 F278 I490 L491 V494 I508	I251-L255 PolarHBondContact O-N 3.01Å; I251-L255 VanDerWaalsContact O-N 3.13Å; L252-L255 HydrophobicContact CD2-CD1 4.38Å; L252-L255 PolarHBondContact O-N 2.96Å; L255-S257 PolarHBondContact O-N 3.45Å; L255-S257 VanDerWaalsContact O-N 3.15Å; L255-C258 VanDerWaalsContact O-CB 3.3Å; L255-C258 WeakPolarHBondContact O-CB 3.42Å; L255-C258 PolarHBondContact O-N 3.33Å; L255-C258 VanDerWaalsContact O-N 3.16Å; L255-C258 PolarHBondContact O-SG 2.86Å; L255-W265 HydrophobicContact CD2-CH2 4.02Å; L255-W265 HydrophobicContact CD2-CZ3 4.29Å; L255-I267 HydrophobicContact CD1-CD1 4.32Å; L255-I267 HydrophobicContact CD2-CD1 3.7Å; L255-I267 HydrophobicContact CG-CD1 3.64Å; L255-F278 HydrophobicContact CD1-CD1 3.91Å; L255-F278 HydrophobicContact CD1-CE1 3.91Å; L255-I490 WeakPolarHBondContact O-CG2 3.5Å; L255-L491 HydrophobicContact CB-CD1 4.48Å; L255-L491 HydrophobicContact CD1-CD1 4Å; L255-V494 HydrophobicContact CD2-CG1 4.46Å; L255-I508 HydrophobicContact CD2-CD1 4.2Å; L255-I508 HydrophobicContact CD2-CG2 4.42Å
256	M	97.5	Very high	96.9	Very high	7 Å²	7	11.9 Å²	11.9	3%	0.034	6%	0.064	C	C	.	.	H	α-helix	trans	-58.3	-29.8	-177.9	-79.9	-170.6	172.8	0	0	113.6	L252 C437 L441 A487 W488 L491	L252-M256 VanDerWaalsContact O-CB 3.27Å; L252-M256 WeakPolarHBondContact O-CB 3.48Å; L252-M256 VanDerWaalsContact O-CG 3.28Å; L252-M256 WeakPolarHBondContact O-CG 3.49Å; L252-M256 PolarHBondContact O-N 3.3Å; M256-C437 HydrophobicContact SD-CB 4.44Å; M256-L441 HydrophobicContact CE-CD1 4.47Å; M256-L441 HydrophobicContact CE-CD2 3.89Å; M256-L441 HydrophobicContact SD-CD1 4.22Å; M256-L441 HydrophobicContact SD-CD2 4.41Å; M256-L441 HydrophobicContact SD-CG 4.49Å; M256-A487 HydrophobicContact CB-CB 3.86Å; M256-A487 HydrophobicContact CG-CB 4.1Å; M256-A487 HydrophobicContact SD-CB 4.31Å; M256-W488 HydrophobicContact CE-CD2 3.66Å; M256-W488 HydrophobicContact CE-CE3 3.53Å; M256-W488 HydrophobicContact CE-CG 4.46Å; M256-W488 HydrophobicContact CE-CH2 3.66Å; M256-W488 HydrophobicContact CE-CZ2 3.78Å; M256-W488 HydrophobicContact CE-CZ3 3.53Å; M256-L491 HydrophobicContact CE-CD2 3.54Å; M256-L491 HydrophobicContact CG-CB 4.37Å
257	S	96.9	Very high	96.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	15.3	-178.5	66.2	0	0	0	0	113.8	A253 L255 T259 R260 Y430 R434	A253-S257 WeakPolarHBondContact O-CB 3.08Å; A253-S257 PolarHBondContact O-N 3.01Å; A253-S257 PolarHBondContact O-OG 3.46Å; L255-S257 PolarHBondContact O-N 3.45Å; L255-S257 VanDerWaalsContact O-N 3.15Å; S257-T259 PolarHBondContact O-N 3.15Å; S257-R260 PolarHBondContact O-N 3.04Å; S257-R260 VanDerWaalsContact O-N 3.08Å; S257-Y430 VanDerWaalsContact O-CD2 3.31Å; S257-Y430 WeakPolarHBondContact O-CD2 3.31Å; S257-Y430 WeakPolarHBondContact O-CE2 3.36Å; S257-Y430 VanDerWaalsContact OG-CE2 3.28Å; S257-Y430 WeakPolarHBondContact OG-CE2 3.3Å; S257-R434 WeakPolarHBondContact OG-CG 3.25Å
258	C	96.8	Very high	96.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-54.5	-32.3	-172.2	67	0	0	0	0	114.2	F176 T254 L255 R260 S261 W265	F176-C258 WeakPolarHBondContact CZ-O 3.4Å; T254-C258 WeakPolarHBondContact O-CA 3.49Å; T254-C258 PolarHBondContact O-N 3.41Å; L255-C258 VanDerWaalsContact O-CB 3.3Å; L255-C258 WeakPolarHBondContact O-CB 3.42Å; L255-C258 PolarHBondContact O-N 3.33Å; L255-C258 VanDerWaalsContact O-N 3.16Å; L255-C258 PolarHBondContact O-SG 2.86Å; C258-R260 PolarHBondContact O-N 3.28Å; C258-R260 VanDerWaalsContact O-N 3.07Å; C258-S261 WeakPolarHBondContact O-CB 3.33Å; C258-S261 PolarHBondContact O-N 3.31Å; C258-S261 PolarHBondContact O-OG 3.14Å; C258-W265 HydrophobicContact CB-CH2 4.33Å; C258-W265 HydrophobicContact CB-CZ2 3.69Å
259	T	96.5	Very high	96.7	Very high	29 Å²	29	12 Å²	12	18%	0.178	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-64.3	-13.6	-177.9	55.3	0	0	0	0	113.7	F176 L179 M180 S257 I490	F176-T259 VanDerWaalsContact CD2-O 3.28Å; F176-T259 WeakPolarHBondContact CD2-O 3.3Å; F176-T259 WeakPolarHBondContact CE2-O 3.44Å; L179-T259 HydrophobicContact CB-CG2 3.66Å; M180-T259 HydrophobicContact CG-CG2 3.96Å; S257-T259 PolarHBondContact O-N 3.15Å; T259-I490 HydrophobicContact CG2-CD1 3.79Å
260	R	96.1	Very high	96.6	Very high	44 Å²	44	14.4 Å²	14.4	17%	0.166	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-97	-10.1	176.5	-61.5	177.6	179	-144.5	0.5	113.5	S257 C258 T294 S429 Y430 I480 N481	S257-R260 PolarHBondContact O-N 3.04Å; S257-R260 VanDerWaalsContact O-N 3.08Å; C258-R260 PolarHBondContact O-N 3.28Å; C258-R260 VanDerWaalsContact O-N 3.07Å; R260-T294 WeakPolarHBondContact O-CG2 3.29Å; R260-S429 PolarHBondContact NH1-OG 3.15Å; R260-S429 VanDerWaalsContact NH1-OG 3.16Å; R260-Y430 HydrophobicContact CB-CD2 4.01Å; R260-Y430 HydrophobicContact CB-CG 4.45Å; R260-I480 PolarHBondContact NH1-O 3.43Å; R260-I480 PolarHBondContact NH2-O 3.02Å; R260-N481 PolarHBondContact NH2-O 3.38Å
261	S	95.8	Very high	96.5	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.021	7%	0.071	C	C	.	.			trans	-71.7	140.6	-175.9	67	0	0	0	0	112.3	F176 C258 W265	F176-S261 WeakPolarHBondContact CE2-O 3.3Å; C258-S261 WeakPolarHBondContact O-CB 3.33Å; C258-S261 PolarHBondContact O-N 3.31Å; C258-S261 PolarHBondContact O-OG 3.14Å; S261-W265 PolarHBondContact OG-NE1 3.06Å; S261-W265 VanDerWaalsContact OG-NE1 3.1Å
262	V	95.1	Very high	96.3	Very high	41 Å²	41	18.7 Å²	18.7	25%	0.248	10%	0.096	C	C	.	.			trans	-123.2	-32.3	178.2	179.7	0	0	0	0	111	E293 T294 K510	V262-E293 HydrophobicContact CB-CG 3.85Å; V262-E293 HydrophobicContact CG2-CG 4.48Å; V262-E293 PolarHBondContact N-OE1 2.78Å; V262-T294 HydrophobicContact CG2-CG2 4.09Å; V262-K510 PolarHBondContact O-NZ 3.13Å
263	Y	94.8	Very high	96	Very high	46 Å²	46	20.1 Å²	20.1	18%	0.18	11%	0.11	C	C	.	.	S	Bend	trans	-82.9	154.6	169.6	-62.9	-19.6	0	0	0	111.2	T290 E293 K510	Y263-T290 HydrophobicContact CD2-CG2 3.74Å; Y263-T290 HydrophobicContact CE2-CG2 4.34Å; Y263-E293 HydrophobicContact CD1-CG 4.15Å; Y263-E293 HydrophobicContact CD2-CB 4.17Å; Y263-E293 HydrophobicContact CD2-CG 3.81Å; Y263-E293 HydrophobicContact CE1-CG 4.29Å; Y263-E293 HydrophobicContact CE2-CB 3.89Å; Y263-E293 HydrophobicContact CE2-CG 3.95Å; Y263-E293 HydrophobicContact CG-CG 3.91Å; Y263-E293 PolarHBondContact N-OE1 3.01Å; Y263-K510 VanDerWaalsContact C-NZ 3.26Å; Y263-K510 WeakPolarHBondContact O-CD 3.3Å; Y263-K510 WeakPolarHBondContact O-CE 3.43Å; Y263-K510 PolarHBondContact O-NZ 3.31Å
264	S	96	Very high	95.8	Very high	20 Å²	20	24.1 Å²	24.1	14%	0.14	14%	0.138	C	C	.	.			trans	-74.7	143.8	178.7	-173.5	0	0	0	0	109.9	S161 K510	S161-S264 PolarHBondContact N-OG 3.35Å; S161-S264 PolarHBondContact OG-OG 3.41Å; S264-K510 WeakPolarHBondContact CB-O 3.25Å; S264-K510 PolarHBondContact OG-O 2.92Å
265	W	96.2	Very high	95.7	Very high	19 Å²	19	27.2 Å²	27.2	7%	0.072	15%	0.152	C	C	.	.			trans	-148.8	155.9	174.7	55.7	-95.6	0	0	0	107.7	T254 L255 C258 S261 I267 Y430 I508 K510 I517	T254-W265 HydrophobicContact CG2-CD2 3.68Å; T254-W265 HydrophobicContact CG2-CE3 3.75Å; T254-W265 HydrophobicContact CG2-CG 4.16Å; T254-W265 HydrophobicContact CG2-CH2 4.48Å; T254-W265 HydrophobicContact CG2-CZ2 4.4Å; T254-W265 HydrophobicContact CG2-CZ3 4.17Å; L255-W265 HydrophobicContact CD2-CH2 4.02Å; L255-W265 HydrophobicContact CD2-CZ3 4.29Å; C258-W265 HydrophobicContact CB-CH2 4.33Å; C258-W265 HydrophobicContact CB-CZ2 3.69Å; S261-W265 PolarHBondContact OG-NE1 3.06Å; S261-W265 VanDerWaalsContact OG-NE1 3.1Å; W265-I267 HydrophobicContact CE3-CD1 3.95Å; W265-I267 HydrophobicContact CE3-CG1 3.92Å; W265-I267 HydrophobicContact CH2-CD1 4.35Å; W265-I267 HydrophobicContact CZ3-CB 4.41Å; W265-I267 HydrophobicContact CZ3-CD1 3.5Å; W265-I267 HydrophobicContact CZ3-CG1 3.81Å; W265-Y430 PolarHBondContact NE1-OH 3.07Å; W265-I508 HydrophobicContact CH2-CG2 4.15Å; W265-I508 HydrophobicContact CZ3-CG2 4.09Å; W265-K510 HydrophobicContact CD2-CB 3.9Å; W265-K510 VanDerWaalsContact CE2-CB 3.45Å; W265-K510 HydrophobicContact CG-CB 4.14Å; W265-K510 HydrophobicContact CH2-CB 4.47Å; W265-K510 HydrophobicContact CZ2-CB 3.78Å; W265-K510 HydrophobicContact CZ2-CG 4.39Å; W265-K510 PolarHBondContact O-N 2.96Å; W265-I517 HydrophobicContact CH2-CG2 4.33Å; W265-I517 HydrophobicContact CZ2-CG2 4.11Å
266	D	96.1	Very high	95.7	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.027	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.3	179.2	57.5	-83.5	0	0	0	111.4	S161 R281 L507 I508 L509	S161-D266 WeakPolarHBondContact CB-OD1 3.32Å; S161-D266 PolarHBondContact OG-N 2.95Å; S161-D266 PolarHBondContact OG-OD1 3.32Å; D266-R281 VanDerWaalsContact CG-NH2 3.3Å; D266-R281 IonicContact OD1-CZ 3.34Å; D266-R281 IonicContact OD1-NE 3.11Å; D266-R281 IonicContact OD1-NH2 3.29Å; D266-R281 PolarHBondContact OD1-NH2 2.94Å; D266-R281 IonicContact OD2-CZ 2.82Å; D266-R281 VanDerWaalsContact OD2-CZ 3.29Å; D266-R281 IonicContact OD2-NE 3.77Å; D266-R281 PolarHBondContact OD2-NE 3.14Å; D266-R281 IonicContact OD2-NH2 3.61Å; D266-R281 PolarHBondContact OD2-NH2 3.5Å; D266-R281 VanDerWaalsContact OD2-NH2 3.11Å; D266-L507 HydrophobicContact CB-CD1 4.02Å; D266-L507 HydrophobicContact CB-CD2 4.3Å; D266-L507 HydrophobicContact CB-CG 4.25Å; D266-I508 CarbonylContact C-O 3.59Å; D266-I508 VanDerWaalsContact CA-O 3.25Å; D266-I508 WeakPolarHBondContact CA-O 3.2Å; D266-L509 HydrophobicContact CB-CD1 4Å
267	I	97.3	Very high	95.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126	176.8	-68.5	171.3	0	0	0	106.6	I251 T254 L255 W265 V269 F278 D279 F286 I508	I251-I267 HydrophobicContact CG2-CD1 3.89Å; I251-I267 HydrophobicContact CG2-CG1 4.26Å; I251-I267 HydrophobicContact CG2-CG2 3.79Å; T254-I267 HydrophobicContact CG2-CD1 3.99Å; L255-I267 HydrophobicContact CD1-CD1 4.32Å; L255-I267 HydrophobicContact CD2-CD1 3.7Å; L255-I267 HydrophobicContact CG-CD1 3.64Å; W265-I267 HydrophobicContact CE3-CD1 3.95Å; W265-I267 HydrophobicContact CE3-CG1 3.92Å; W265-I267 HydrophobicContact CH2-CD1 4.35Å; W265-I267 HydrophobicContact CZ3-CB 4.41Å; W265-I267 HydrophobicContact CZ3-CD1 3.5Å; W265-I267 HydrophobicContact CZ3-CG1 3.81Å; I267-V269 HydrophobicContact CG2-CG2 4.32Å; I267-F278 HydrophobicContact CG2-CB 4.38Å; I267-F278 HydrophobicContact CG2-CD1 4.06Å; I267-D279 CarbonylContact C-O 3.6Å; I267-D279 WeakPolarHBondContact CG2-O 3.41Å; I267-F286 HydrophobicContact CG1-CE2 4Å; I267-I508 HydrophobicContact CB-CB 4.42Å; I267-I508 PolarHBondContact N-O 2.76Å; I267-I508 PolarHBondContact O-N 3.37Å
268	V	96	Very high	95.7	Very high	6 Å²	6	28.1 Å²	28.1	4%	0.036	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.8	174.2	179.9	0	0	0	0	107.8	Q270 D279 R281 K505 L507	V268-Q270 HydrophobicContact CG1-CG 4.34Å; V268-D279 HydrophobicContact CB-CB 4.43Å; V268-D279 PolarHBondContact N-O 2.98Å; V268-D279 PolarHBondContact O-N 2.7Å; V268-R281 HydrophobicContact CG2-CG 3.82Å; V268-K505 HydrophobicContact CG1-CG 4.17Å; V268-L507 HydrophobicContact CG2-CD1 3.89Å
269	V	97	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	121.5	176.6	-177.3	0	0	0	0	108	I267 L276 F277 F278 C498 Y506 I508	I267-V269 HydrophobicContact CG2-CG2 4.32Å; V269-L276 HydrophobicContact CG1-CD1 3.36Å; V269-L276 HydrophobicContact CG1-CD2 4.37Å; V269-L276 HydrophobicContact CG1-CG 3.88Å; V269-F277 CarbonylContact C-O 3.5Å; V269-F277 WeakPolarHBondContact CA-O 3.47Å; V269-F278 HydrophobicContact CG1-CD1 4.42Å; V269-F278 HydrophobicContact CG1-CE1 4.3Å; V269-F278 HydrophobicContact CG2-CD1 3.52Å; V269-F278 HydrophobicContact CG2-CE1 3.68Å; V269-F278 HydrophobicContact CG2-CG 4.48Å; V269-C498 HydrophobicContact CG1-CB 4.33Å; V269-Y506 PolarHBondContact N-O 2.82Å; V269-Y506 PolarHBondContact O-N 3.26Å; V269-I508 HydrophobicContact CG2-CD1 3.73Å; V269-I508 HydrophobicContact CG2-CG1 3.92Å
270	Q	95.1	Very high	95.5	Very high	56 Å²	56	27.7 Å²	27.7	26%	0.262	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124	176.8	-60.6	179.6	3.6	0	0	109.3	V268 F277 K505	V268-Q270 HydrophobicContact CG1-CG 4.34Å; Q270-F277 HydrophobicContact CB-CB 4.36Å; Q270-F277 PolarHBondContact N-O 3.49Å; Q270-F277 PolarHBondContact O-N 2.95Å; Q270-K505 HydrophobicContact CG-CG 4.44Å
271	R	94.8	Very high	95.3	Very high	27 Å²	27	28 Å²	28	10%	0.102	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.8	176.3	179.7	67.8	-174.1	162.7	-12.2	108.8	G273 S274 K275 L276 M499 E502 E503 G504 Y506	R271-G273 PolarHBondContact NE-O 2.77Å; R271-G273 VanDerWaalsContact NE-O 3.08Å; R271-G273 PolarHBondContact NH2-O 3.41Å; R271-S274 VanDerWaalsContact CZ-C 3.45Å; R271-S274 PolarHBondContact NH1-O 3.14Å; R271-S274 PolarHBondContact NH2-O 3.45Å; R271-K275 WeakPolarHBondContact CD-O 3.17Å; R271-K275 VanDerWaalsContact NH1-N 3.11Å; R271-K275 PolarHBondContact NH1-O 3.02Å; R271-L276 HydrophobicContact CB-CD1 4.22Å; R271-M499 PolarHBondContact NH1-SD 3.21Å; R271-M499 PolarHBondContact NH2-SD 3.1Å; R271-E502 WeakPolarHBondContact CG-O 3.34Å; R271-E503 HydrophobicContact CG-CG 4.32Å; R271-E503 WeakPolarHBondContact O-CA 3.36Å; R271-G504 PolarHBondContact N-O 3.04Å; R271-G504 PolarHBondContact O-N 3.25Å; R271-Y506 HydrophobicContact CB-CE2 4.14Å
272	V	93.8	Very high	94.6	Very high	86 Å²	86	33 Å²	33	52%	0.521	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.2	179.2	-176.9	0	0	0	0	108.6	S274 K275	V272-S274 PolarHBondContact O-N 3.18Å; V272-K275 PolarHBondContact N-O 3.11Å; V272-K275 VanDerWaalsContact N-O 3.15Å; V272-K275 PolarHBondContact O-N 3.34Å
273	G	91.8	Very high	93.8	Very high	30 Å²	30	39.1 Å²	39.1	31%	0.309	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-126.9	-173.1	0	0	0	0	0	112.5	R271 E503	R271-G273 PolarHBondContact NE-O 2.77Å; R271-G273 VanDerWaalsContact NE-O 3.08Å; R271-G273 PolarHBondContact NH2-O 3.41Å; G273-E503 VanDerWaalsContact CA-CD 3.49Å; G273-E503 WeakPolarHBondContact CA-OE1 3.35Å; G273-E503 PolarHBondContact N-OE1 3.42Å; G273-E503 PolarHBondContact N-OE2 2.65Å
274	S	92.4	Very high	93.4	Very high	84 Å²	84	38 Å²	38	59%	0.587	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	3.2	175.5	64.9	0	0	0	0	114.5	R271 V272	R271-S274 VanDerWaalsContact CZ-C 3.45Å; R271-S274 PolarHBondContact NH1-O 3.14Å; R271-S274 PolarHBondContact NH2-O 3.45Å; V272-S274 PolarHBondContact O-N 3.18Å
275	K	96.1	Very high	93.1	Very high	67 Å²	67	41.2 Å²	41.2	29%	0.291	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	151	-175.4	-60.3	174.8	-168	161.6	0	112.6	A239 N244 F246 R271 V272 F277	A239-K275 WeakPolarHBondContact O-CE 3.32Å; A239-K275 PolarHBondContact O-NZ 3.16Å; N244-K275 CarbonylContact O-C 3.59Å; N244-K275 VanDerWaalsContact O-CA 3.3Å; N244-K275 WeakPolarHBondContact O-CA 3.26Å; F246-K275 HydrophobicContact CE2-CB 4.34Å; F246-K275 HydrophobicContact CE2-CD 4.26Å; F246-K275 HydrophobicContact CE2-CG 4.33Å; R271-K275 WeakPolarHBondContact CD-O 3.17Å; R271-K275 VanDerWaalsContact NH1-N 3.11Å; R271-K275 PolarHBondContact NH1-O 3.02Å; V272-K275 PolarHBondContact N-O 3.11Å; V272-K275 VanDerWaalsContact N-O 3.15Å; V272-K275 PolarHBondContact O-N 3.34Å; K275-F277 HydrophobicContact CB-CE2 3.85Å; K275-F277 HydrophobicContact CB-CZ 4.33Å; K275-F277 HydrophobicContact CD-CZ 4.46Å
276	L	97.1	Very high	92.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.2	-177.9	-166.9	70.6	0	0	0	109	N244 V245 F246 V269 R271 F278 C498 M499	N244-L276 PolarHBondContact O-N 2.88Å; V245-L276 CarbonylContact C-O 3.56Å; V245-L276 WeakPolarHBondContact CA-O 3.3Å; V245-L276 HydrophobicContact CG2-CB 4.28Å; F246-L276 PolarHBondContact N-O 2.87Å; V269-L276 HydrophobicContact CG1-CD1 3.36Å; V269-L276 HydrophobicContact CG1-CD2 4.37Å; V269-L276 HydrophobicContact CG1-CG 3.88Å; R271-L276 HydrophobicContact CB-CD1 4.22Å; L276-F278 HydrophobicContact CD2-CD2 4.3Å; L276-F278 HydrophobicContact CD2-CE2 3.41Å; L276-F278 VanDerWaalsContact CD2-CE2 3.41Å; L276-F278 HydrophobicContact CD2-CZ 3.54Å; L276-F278 HydrophobicContact CG-CD2 4.48Å; L276-F278 HydrophobicContact CG-CE2 4.03Å; L276-F278 HydrophobicContact CG-CZ 4.38Å; L276-C498 HydrophobicContact CD1-CB 3.89Å; L276-C498 HydrophobicContact CD2-CB 3.66Å; L276-C498 HydrophobicContact CG-CB 4.44Å; L276-M499 HydrophobicContact CB-CE 3.96Å
277	F	97.7	Very high	92.8	Very high	28 Å²	28	43.7 Å²	43.7	12%	0.123	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.2	176.5	-60.6	-92.9	0	0	0	108.3	T229 T230 I235 A239 F246 V269 Q270 K275	T229-F277 HydrophobicContact CG2-CD1 4.3Å; T230-F277 HydrophobicContact CG2-CB 4.29Å; I235-F277 HydrophobicContact CG2-CE1 4.41Å; A239-F277 HydrophobicContact CB-CE1 4.02Å; A239-F277 HydrophobicContact CB-CZ 3.88Å; F246-F277 HydrophobicContact CB-CD1 3.74Å; F246-F277 HydrophobicContact CB-CE1 4.03Å; F246-F277 AromaticContact CD2-CD1 3.85Å; F246-F277 HydrophobicContact CD2-CD1 3.85Å; F246-F277 AromaticContact CD2-CE1 3.46Å; F246-F277 HydrophobicContact CD2-CE1 3.46Å; F246-F277 VanDerWaalsContact CD2-CE1 3.46Å; F246-F277 HydrophobicContact CD2-CE2 4.49Å; F246-F277 AromaticContact CD2-CZ 3.83Å; F246-F277 HydrophobicContact CD2-CZ 3.83Å; F246-F277 HydrophobicContact CE2-CE1 4.13Å; F246-F277 HydrophobicContact CE2-CZ 4.13Å; F246-F277 HydrophobicContact CG-CD1 4.05Å; F246-F277 AromaticContact CG-CE1 3.82Å; F246-F277 HydrophobicContact CG-CE1 3.82Å; V269-F277 CarbonylContact C-O 3.5Å; V269-F277 WeakPolarHBondContact CA-O 3.47Å; Q270-F277 HydrophobicContact CB-CB 4.36Å; Q270-F277 PolarHBondContact N-O 3.49Å; Q270-F277 PolarHBondContact O-N 2.95Å; K275-F277 HydrophobicContact CB-CE2 3.85Å; K275-F277 HydrophobicContact CB-CZ 4.33Å; K275-F277 HydrophobicContact CD-CZ 4.46Å
278	F	97.9	Very high	92.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.6	169.1	-69.7	-89.3	0	0	0	108.7	T229 V245 F246 A247 I251 L255 I267 V269 L276 V494 I495 I508	T229-F278 VanDerWaalsContact CB-O 3.26Å; T229-F278 WeakPolarHBondContact CB-O 3.09Å; T229-F278 PolarHBondContact OG1-O 3.16Å; V245-F278 HydrophobicContact CG1-CD2 3.83Å; V245-F278 HydrophobicContact CG1-CE2 3.58Å; F246-F278 PolarHBondContact O-N 2.87Å; A247-F278 HydrophobicContact CB-CB 4.02Å; A247-F278 HydrophobicContact CB-CD2 4.48Å; I251-F278 VanDerWaalsContact CD1-O 3.31Å; I251-F278 WeakPolarHBondContact CD1-O 3.2Å; I251-F278 HydrophobicContact CG2-CB 3.77Å; L255-F278 HydrophobicContact CD1-CD1 3.91Å; L255-F278 HydrophobicContact CD1-CE1 3.91Å; I267-F278 HydrophobicContact CG2-CB 4.38Å; I267-F278 HydrophobicContact CG2-CD1 4.06Å; V269-F278 HydrophobicContact CG1-CD1 4.42Å; V269-F278 HydrophobicContact CG1-CE1 4.3Å; V269-F278 HydrophobicContact CG2-CD1 3.52Å; V269-F278 HydrophobicContact CG2-CE1 3.68Å; V269-F278 HydrophobicContact CG2-CG 4.48Å; L276-F278 HydrophobicContact CD2-CD2 4.3Å; L276-F278 HydrophobicContact CD2-CE2 3.41Å; L276-F278 VanDerWaalsContact CD2-CE2 3.41Å; L276-F278 HydrophobicContact CD2-CZ 3.54Å; L276-F278 HydrophobicContact CG-CD2 4.48Å; L276-F278 HydrophobicContact CG-CE2 4.03Å; L276-F278 HydrophobicContact CG-CZ 4.38Å; F278-V494 HydrophobicContact CE1-CG1 3.93Å; F278-V494 HydrophobicContact CZ-CG1 4.14Å; F278-I495 HydrophobicContact CE2-CG1 3.96Å; F278-I495 HydrophobicContact CZ-CG1 4Å; F278-I508 HydrophobicContact CD1-CD1 4.44Å; F278-I508 HydrophobicContact CE1-CD1 3.9Å
279	D	96	Very high	92.7	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	168.6	-176	-136.9	-18.8	0	0	0	114.4	T228 T229 T230 I267 V268	T228-D279 WeakPolarHBondContact CB-OD1 3.43Å; T229-D279 PolarHBondContact N-OD1 2.81Å; T230-D279 VanDerWaalsContact CB-OD2 3.3Å; T230-D279 WeakPolarHBondContact CB-OD2 3.21Å; T230-D279 WeakPolarHBondContact CG2-OD2 3.39Å; T230-D279 PolarHBondContact N-OD2 2.67Å; T230-D279 PolarHBondContact OG1-OD2 3.2Å; I267-D279 CarbonylContact C-O 3.6Å; I267-D279 WeakPolarHBondContact CG2-O 3.41Å; V268-D279 HydrophobicContact CB-CB 4.43Å; V268-D279 PolarHBondContact N-O 2.98Å; V268-D279 PolarHBondContact O-N 2.7Å
280	K	93.4	Very high	92.7	Very high	16 Å²	16	47 Å²	47	7%	0.07	26%	0.257	C	S	.	.			trans	-120.4	159	174.8	63.8	174.9	-176.5	170.3	0	109.6	T226 T228 I251 F286 D287	T226-K280 WeakPolarHBondContact O-CE 3.4Å; T226-K280 PolarHBondContact O-NZ 2.75Å; T228-K280 HydrophobicContact CG2-CG 4.06Å; I251-K280 HydrophobicContact CD1-CB 4.28Å; I251-K280 HydrophobicContact CD1-CG 4.39Å; I251-K280 HydrophobicContact CG1-CB 4.48Å; K280-F286 HydrophobicContact CB-CD1 4.28Å; K280-F286 HydrophobicContact CB-CG 4.31Å; K280-F286 HydrophobicContact CD-CD1 3.8Å; K280-F286 HydrophobicContact CD-CE1 4.27Å; K280-F286 HydrophobicContact CD-CG 4.44Å; K280-D287 IonicContact NZ-OD1 2.76Å; K280-D287 PolarHBondContact NZ-OD1 3.48Å; K280-D287 IonicContact NZ-OD2 3.47Å; K280-D287 PolarHBondContact NZ-OD2 3.36Å
281	R	91	Very high	92.8	Very high	49 Å²	49	44.5 Å²	44.5	19%	0.185	25%	0.246	C	C	.	.			trans	-84.5	133.7	173.6	-62.9	-175.5	-67	144.7	-1.4	110.3	S161 D266 V268 N283 S284 F527	S161-R281 PolarHBondContact O-NH2 2.98Å; D266-R281 VanDerWaalsContact CG-NH2 3.3Å; D266-R281 IonicContact OD1-CZ 3.34Å; D266-R281 IonicContact OD1-NE 3.11Å; D266-R281 IonicContact OD1-NH2 3.29Å; D266-R281 PolarHBondContact OD1-NH2 2.94Å; D266-R281 IonicContact OD2-CZ 2.82Å; D266-R281 VanDerWaalsContact OD2-CZ 3.29Å; D266-R281 IonicContact OD2-NE 3.77Å; D266-R281 PolarHBondContact OD2-NE 3.14Å; D266-R281 IonicContact OD2-NH2 3.61Å; D266-R281 PolarHBondContact OD2-NH2 3.5Å; D266-R281 VanDerWaalsContact OD2-NH2 3.11Å; V268-R281 HydrophobicContact CG2-CG 3.82Å; R281-N283 VanDerWaalsContact C-N 3.34Å; R281-N283 PolarHBondContact O-N 3.14Å; R281-S284 WeakPolarHBondContact O-CB 3.36Å; R281-S284 PolarHBondContact O-N 3.37Å; R281-S284 PolarHBondContact O-OG 3.42Å; R281-F527 VanDerWaalsContact CD-CD1 3.49Å; R281-F527 VanDerWaalsContact CD-CE1 3.48Å; R281-F527 HydrophobicContact CG-CD1 4.47Å
282	D	81.4	Confident	92.8	Very high	109 Å²	109	43.5 Å²	43.5	58%	0.583	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-37.4	-179.6	-60.5	-62.6	0	0	0	113.4	T228 S284	T228-D282 WeakPolarHBondContact CG2-OD1 3.37Å; D282-S284 PolarHBondContact O-N 3.43Å; D282-S284 VanDerWaalsContact O-N 3.17Å
283	N	77.9	Confident	92.9	Very high	169 Å²	169	39.6 Å²	39.6	90%	0.904	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	17.3	-179.7	-67.6	-33.9	0	0	0	114	R281	R281-N283 VanDerWaalsContact C-N 3.34Å; R281-N283 PolarHBondContact O-N 3.14Å
284	S	86.4	Confident	93.1	Very high	24 Å²	24	39.5 Å²	39.5	17%	0.168	21%	0.212	C	C	.	.	S	Bend	trans	-102.7	155.7	-177.1	73.1	0	0	0	0	113.5	R281 D282 F286	R281-S284 WeakPolarHBondContact O-CB 3.36Å; R281-S284 PolarHBondContact O-N 3.37Å; R281-S284 PolarHBondContact O-OG 3.42Å; D282-S284 PolarHBondContact O-N 3.43Å; D282-S284 VanDerWaalsContact O-N 3.17Å; S284-F286 PolarHBondContact O-N 2.93Å; S284-F286 VanDerWaalsContact OG-CB 3.3Å; S284-F286 WeakPolarHBondContact OG-CB 3.39Å
285	D	89.3	Confident	93.2	Very high	86 Å²	86	36 Å²	36	46%	0.46	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-75.8	19.8	173.6	-71.8	-26.9	0	0	0	112.5	D287 L288 R310	D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact O-N 3.07Å; D285-L288 HydrophobicContact CB-CB 4.49Å; D285-L288 HydrophobicContact CB-CD1 3.84Å; D285-L288 HydrophobicContact CB-CG 4.18Å; D285-L288 WeakPolarHBondContact O-CB 3.44Å; D285-L288 PolarHBondContact O-N 3.49Å; D285-L288 WeakPolarHBondContact OD1-CD1 3.42Å; D285-R310 IonicContact OD2-NH1 3.67Å
286	F	93.3	Very high	92.9	Very high	17 Å²	17	37.7 Å²	37.7	8%	0.075	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-61.6	-38.3	-172.4	-174.7	-88.2	0	0	0	113.6	A250 I251 T254 I267 K280 S284 L288 R434	A250-F286 HydrophobicContact CB-CE1 4.33Å; I251-F286 HydrophobicContact CG1-CE1 4.26Å; I251-F286 HydrophobicContact CG1-CZ 4.17Å; T254-F286 HydrophobicContact CG2-CE2 3.91Å; T254-F286 HydrophobicContact CG2-CZ 4.09Å; T254-F286 WeakPolarHBondContact OG1-CZ 3.24Å; I267-F286 HydrophobicContact CG1-CE2 4Å; K280-F286 HydrophobicContact CB-CD1 4.28Å; K280-F286 HydrophobicContact CB-CG 4.31Å; K280-F286 HydrophobicContact CD-CD1 3.8Å; K280-F286 HydrophobicContact CD-CE1 4.27Å; K280-F286 HydrophobicContact CD-CG 4.44Å; S284-F286 PolarHBondContact O-N 2.93Å; S284-F286 VanDerWaalsContact OG-CB 3.3Å; S284-F286 WeakPolarHBondContact OG-CB 3.39Å; F286-L288 VanDerWaalsContact C-N 3.26Å; F286-L288 PolarHBondContact O-N 3.23Å; F286-R434 PolarHBondContact O-NH2 3.46Å
287	D	92.9	Very high	92.6	Very high	60 Å²	60	44.4 Å²	44.4	32%	0.321	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-80.6	-7.5	178.8	-64.2	-41.1	0	0	0	112.7	T226 K280 D285	T226-D287 WeakPolarHBondContact CB-OD2 3.3Å; K280-D287 IonicContact NZ-OD1 2.76Å; K280-D287 PolarHBondContact NZ-OD1 3.48Å; K280-D287 IonicContact NZ-OD2 3.47Å; K280-D287 PolarHBondContact NZ-OD2 3.36Å; D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact O-N 3.07Å
288	L	95.1	Very high	92.3	Very high	37 Å²	37	43.6 Å²	43.6	19%	0.194	23%	0.229	C	C	.	.	S	Bend	trans	-73.3	135.3	175.9	-60.8	-172	0	0	0	111.4	D285 F286 T290 A313 M314 T317	D285-L288 HydrophobicContact CB-CB 4.49Å; D285-L288 HydrophobicContact CB-CD1 3.84Å; D285-L288 HydrophobicContact CB-CG 4.18Å; D285-L288 WeakPolarHBondContact O-CB 3.44Å; D285-L288 PolarHBondContact O-N 3.49Å; D285-L288 WeakPolarHBondContact OD1-CD1 3.42Å; F286-L288 VanDerWaalsContact C-N 3.26Å; F286-L288 PolarHBondContact O-N 3.23Å; L288-T290 PolarHBondContact O-N 3.19Å; L288-A313 HydrophobicContact CB-CB 4Å; L288-A313 HydrophobicContact CD1-CB 4.44Å; L288-M314 HydrophobicContact CD1-CG 4.07Å; L288-M314 HydrophobicContact CD2-CG 4.42Å; L288-T317 WeakPolarHBondContact CA-OG1 3.35Å; L288-T317 HydrophobicContact CD2-CG2 4.48Å
289	L	96.5	Very high	91.9	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.079	23%	0.234	C	C	.	.			trans	-86.8	112.7	-178.7	-65.2	174.7	0	0	0	110.2	A313 A316 T317 N320 K431 W435	L289-A313 VanDerWaalsContact O-CA 3.24Å; L289-A313 WeakPolarHBondContact O-CA 3.45Å; L289-A313 WeakPolarHBondContact O-CB 3.28Å; L289-A316 HydrophobicContact CB-CB 4.11Å; L289-T317 PolarHBondContact N-OG1 3.47Å; L289-N320 HydrophobicContact CD1-CB 3.54Å; L289-K431 HydrophobicContact CB-CD 4.15Å; L289-K431 HydrophobicContact CD2-CD 4.42Å; L289-W435 HydrophobicContact CD1-CZ2 4.01Å; L289-W435 HydrophobicContact CD2-CZ2 4Å
290	T	96.5	Very high	91.4	Very high	23 Å²	23	48.2 Å²	48.2	14%	0.141	25%	0.252	C	S	.	.			trans	-62.1	148.2	178.5	67.6	0	0	0	0	111.9	Y263 L288 E293 K431	Y263-T290 HydrophobicContact CD2-CG2 3.74Å; Y263-T290 HydrophobicContact CE2-CG2 4.34Å; L288-T290 PolarHBondContact O-N 3.19Å; T290-E293 VanDerWaalsContact CB-OE2 3.31Å; T290-E293 WeakPolarHBondContact CB-OE2 3.4Å; T290-E293 WeakPolarHBondContact CG2-OE2 3.29Å; T290-E293 PolarHBondContact OG1-OE2 2.73Å; T290-K431 WeakPolarHBondContact O-CD 3.36Å; T290-K431 WeakPolarHBondContact O-CE 3.31Å; T290-K431 PolarHBondContact O-NZ 2.81Å
291	V	96.6	Very high	91.1	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	27%	0.267	C	S	.	.	S	Bend	trans	-124.6	124.6	-178.9	-177.6	0	0	0	0	109.8	E293 L312 A316	V291-E293 PolarHBondContact O-N 3.12Å; V291-E293 VanDerWaalsContact O-N 3.15Å; V291-L312 HydrophobicContact CB-CB 4.01Å; V291-L312 HydrophobicContact CG1-CB 4.46Å; V291-L312 HydrophobicContact CG1-CD1 4.46Å; V291-L312 HydrophobicContact CG2-CB 4.03Å; V291-L312 WeakPolarHBondContact CG2-O 3.43Å; V291-A316 HydrophobicContact CG2-CB 3.55Å
292	S	96.2	Very high	90.6	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.042	28%	0.284	C	S	.	.	S	Bend	trans	55.5	29.3	178.5	-57.3	0	0	0	0	113.7	T294 A295 W399 N427 N428	S292-T294 PolarHBondContact O-N 2.83Å; S292-A295 VanDerWaalsContact O-CB 3.29Å; S292-A295 WeakPolarHBondContact O-CB 3.45Å; S292-A295 PolarHBondContact O-N 3.11Å; S292-W399 PolarHBondContact OG-NE1 2.85Å; S292-N427 CarbonylContact C-O 3.58Å; S292-N427 WeakPolarHBondContact CA-O 3.46Å; S292-N428 PolarHBondContact N-OD1 3.24Å
293	E	95.1	Very high	90.3	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.014	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-43.7	-176.6	172.6	-177.5	177.1	0	0	113.1	V262 Y263 T290 V291 A295 N427	V262-E293 HydrophobicContact CB-CG 3.85Å; V262-E293 HydrophobicContact CG2-CG 4.48Å; V262-E293 PolarHBondContact N-OE1 2.78Å; Y263-E293 HydrophobicContact CD1-CG 4.15Å; Y263-E293 HydrophobicContact CD2-CB 4.17Å; Y263-E293 HydrophobicContact CD2-CG 3.81Å; Y263-E293 HydrophobicContact CE1-CG 4.29Å; Y263-E293 HydrophobicContact CE2-CB 3.89Å; Y263-E293 HydrophobicContact CE2-CG 3.95Å; Y263-E293 HydrophobicContact CG-CG 3.91Å; Y263-E293 PolarHBondContact N-OE1 3.01Å; T290-E293 VanDerWaalsContact CB-OE2 3.31Å; T290-E293 WeakPolarHBondContact CB-OE2 3.4Å; T290-E293 WeakPolarHBondContact CG2-OE2 3.29Å; T290-E293 PolarHBondContact OG1-OE2 2.73Å; V291-E293 PolarHBondContact O-N 3.12Å; V291-E293 VanDerWaalsContact O-N 3.15Å; E293-A295 VanDerWaalsContact C-N 3.33Å; E293-N427 PolarHBondContact N-O 3.07Å; E293-N427 VanDerWaalsContact N-O 3.15Å
294	T	95.7	Very high	90.5	Very high	29 Å²	29	51.7 Å²	51.7	18%	0.178	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	9.3	-175.2	64	0	0	0	0	112.6	R260 V262 S292 K426 N427 N428 S429	R260-T294 WeakPolarHBondContact O-CG2 3.29Å; V262-T294 HydrophobicContact CG2-CG2 4.09Å; S292-T294 PolarHBondContact O-N 2.83Å; T294-K426 CarbonylContact C-O 3.56Å; T294-K426 VanDerWaalsContact O-O 3.06Å; T294-K426 PolarHBondContact OG1-O 3.22Å; T294-N427 PolarHBondContact N-O 3.28Å; T294-N427 PolarHBondContact OG1-O 3.12Å; T294-N428 PolarHBondContact OG1-N 3.39Å; T294-S429 WeakPolarHBondContact OG1-CB 3.28Å; T294-S429 PolarHBondContact OG1-N 3.02Å
295	A	94.6	Very high	90.6	Very high	9 Å²	9	52 Å²	52	7%	0.074	29%	0.288	C	S	.	.	S	Bend	trans	-63.2	154.4	174.1	0	0	0	0	0	110.8	S292 E293 E297 C404 N427	S292-A295 VanDerWaalsContact O-CB 3.29Å; S292-A295 WeakPolarHBondContact O-CB 3.45Å; S292-A295 PolarHBondContact O-N 3.11Å; E293-A295 VanDerWaalsContact C-N 3.33Å; A295-E297 PolarHBondContact O-N 3.4Å; A295-C404 HydrophobicContact CB-CB 3.9Å; A295-N427 HydrophobicContact CB-CB 4.16Å; A295-N427 WeakPolarHBondContact CB-OD1 3.44Å
296	N	90.8	Very high	90.6	Very high	103 Å²	103	51.5 Å²	51.5	55%	0.551	28%	0.282	S	S	*	.	S	Bend	trans	-56.5	-37.4	174.7	-71.9	4	0	0	0	111.7	K426	N296-K426 PolarHBondContact ND2-NZ 2.9Å; N296-K426 VanDerWaalsContact ND2-NZ 3.16Å; N296-K426 WeakPolarHBondContact OD1-CE 3.47Å; N296-K426 PolarHBondContact OD1-NZ 3.13Å
297	E	89.8	Confident	90.6	Very high	141 Å²	141	51.6 Å²	51.6	66%	0.659	28%	0.283	S	S	*	.	S	Bend	trans	-126.6	91.3	176	-67.3	179.8	-175	0	0	107.3	A295 C404	A295-E297 PolarHBondContact O-N 3.4Å; E297-C404 PolarHBondContact O-SG 2.97Å
298	P	91.1	Very high	90.6	Very high	12 Å²	12	49.2 Å²	49.2	8%	0.078	27%	0.271	C	S	.	.			trans	-69.2	162.4	177.3	27.4	-32	0	0	0	110.9	Q300	P298-Q300 PolarHBondContact O-N 3.21Å
299	P	90.6	Very high	90.5	Very high	14 Å²	14	49.6 Å²	49.6	9%	0.091	28%	0.276	C	S	.	.			trans	-55.6	134.7	176.6	-23.7	33.9	0	0	0	111.9	P309 L312 W399	P299-P309 HydrophobicContact CB-CG 4.31Å; P299-P309 WeakPolarHBondContact O-CG 3.3Å; P299-L312 HydrophobicContact CB-CD1 3.95Å; P299-L312 HydrophobicContact CG-CD1 3.82Å; P299-W399 HydrophobicContact CG-CZ2 4.17Å
300	Q	86	Confident	90.3	Very high	86 Å²	86	56.2 Å²	56.2	40%	0.402	30%	0.3	S	S	.	.			trans	-129.7	14.3	-179.3	-66.3	-174.6	-3.9	0	0	112.4	P298	P298-Q300 PolarHBondContact O-N 3.21Å
301	D	85.5	Confident	90.2	Very high	72 Å²	72	57.6 Å²	57.6	39%	0.385	31%	0.307	S	S	.	.			trans	-67.4	139.3	177.5	-84.5	27.2	0	0	0	110	S305 N307 S308 P309	D301-S305 PolarHBondContact OD2-OG 3.12Å; D301-N307 HydrophobicContact CB-CB 4.35Å; D301-N307 WeakPolarHBondContact OD2-CB 3.31Å; D301-S308 VanDerWaalsContact O-CA 3.29Å; D301-S308 WeakPolarHBondContact O-CA 3.33Å; D301-S308 VanDerWaalsContact O-CB 3.25Å; D301-S308 WeakPolarHBondContact O-CB 3.36Å; D301-P309 WeakPolarHBondContact O-CD 3.44Å
302	E	80.8	Confident	90.1	Very high	117 Å²	117	57.4 Å²	57.4	55%	0.547	31%	0.306	S	S	.	.			trans	-112.4	161.7	-172.4	-60.7	-70	-177.5	0	0	112.1	K156 N304 S305	K156-E302 IonicContact NZ-OE1 3.52Å; K156-E302 PolarHBondContact NZ-OE1 3.25Å; E302-N304 PolarHBondContact O-N 3.15Å; E302-S305 PolarHBondContact O-N 3.13Å
303	G	75.2	Confident	90.1	Very high	62 Å²	62	57.5 Å²	57.5	64%	0.639	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-132.9	170.3	0	0	0	0	0	113.3	S305	G303-S305 PolarHBondContact O-N 2.89Å; G303-S305 VanDerWaalsContact O-N 3.16Å
304	N	81.6	Confident	90.1	Very high	166 Å²	166	61.8 Å²	61.8	89%	0.888	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	15.4	-174	-150	25.9	0	0	0	114	E302 F306	E302-N304 PolarHBondContact O-N 3.15Å; N304-F306 PolarHBondContact O-N 3.44Å
305	S	90	Very high	90.2	Very high	31 Å²	31	61.2 Å²	61.2	22%	0.217	32%	0.323	C	S	.	.			trans	-67.9	129.5	171.5	-178.7	0	0	0	0	109.4	D301 E302 G303 N307 S308 N311	D301-S305 PolarHBondContact OD2-OG 3.12Å; E302-S305 PolarHBondContact O-N 3.13Å; G303-S305 PolarHBondContact O-N 2.89Å; G303-S305 VanDerWaalsContact O-N 3.16Å; S305-N307 PolarHBondContact O-N 2.87Å; S305-N307 VanDerWaalsContact O-N 3.11Å; S305-N307 PolarHBondContact OG-N 3.44Å; S305-S308 WeakPolarHBondContact O-CB 3.41Å; S305-S308 PolarHBondContact O-N 2.75Å; S305-S308 PolarHBondContact O-OG 3.39Å; S305-N311 PolarHBondContact O-ND2 2.96Å
306	F	89	Confident	90.3	Very high	75 Å²	75	60.9 Å²	60.9	33%	0.329	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5.9	173.1	59.7	-92.9	0	0	0	113	N304 R454 K458	N304-F306 PolarHBondContact O-N 3.44Å; F306-R454 PolarHBondContact O-NH2 2.62Å; F306-K458 HydrophobicContact CZ-CB 4.46Å
307	N	93.5	Very high	90.6	Very high	18 Å²	18	56.7 Å²	56.7	10%	0.096	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	10.3	172.1	-65.1	-27.1	0	0	0	112.9	D301 S305 L312 W399 R454	D301-N307 HydrophobicContact CB-CB 4.35Å; D301-N307 WeakPolarHBondContact OD2-CB 3.31Å; S305-N307 PolarHBondContact O-N 2.87Å; S305-N307 VanDerWaalsContact O-N 3.11Å; S305-N307 PolarHBondContact OG-N 3.44Å; N307-L312 VanDerWaalsContact O-CD1 3.28Å; N307-L312 WeakPolarHBondContact O-CD1 3.08Å; N307-W399 HydrophobicContact CB-CE3 4.38Å; N307-W399 HydrophobicContact CB-CZ3 4.11Å; N307-R454 PolarHBondContact OD1-NH1 2.98Å; N307-R454 PolarHBondContact OD1-NH2 2.92Å
308	S	92.6	Very high	90.9	Very high	10 Å²	10	54.8 Å²	54.8	7%	0.07	29%	0.286	C	S	.	.	S	Bend	trans	-62.1	149.1	170.6	72.3	0	0	0	0	110.4	D301 S305 R310 N311 L312	D301-S308 VanDerWaalsContact O-CA 3.29Å; D301-S308 WeakPolarHBondContact O-CA 3.33Å; D301-S308 VanDerWaalsContact O-CB 3.25Å; D301-S308 WeakPolarHBondContact O-CB 3.36Å; S305-S308 WeakPolarHBondContact O-CB 3.41Å; S305-S308 PolarHBondContact O-N 2.75Å; S305-S308 PolarHBondContact O-OG 3.39Å; S308-R310 PolarHBondContact O-N 3.22Å; S308-N311 PolarHBondContact O-N 3.16Å; S308-N311 VanDerWaalsContact O-N 3.14Å; S308-N311 WeakPolarHBondContact OG-CB 3.38Å; S308-N311 PolarHBondContact OG-N 3.19Å; S308-N311 PolarHBondContact OG-ND2 3.28Å; S308-L312 WeakPolarHBondContact O-CG 3.37Å; S308-L312 PolarHBondContact O-N 3.2Å
309	P	92.8	Very high	91.2	Very high	46 Å²	46	54.3 Å²	54.3	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-52.1	-42.1	-177.9	-28.6	34.5	0	0	0	113.6	P299 D301 A313	P299-P309 HydrophobicContact CB-CG 4.31Å; P299-P309 WeakPolarHBondContact O-CG 3.3Å; D301-P309 WeakPolarHBondContact O-CD 3.44Å; P309-A313 WeakPolarHBondContact O-CB 3.34Å; P309-A313 PolarHBondContact O-N 3.09Å
310	R	92.2	Very high	91.6	Very high	153 Å²	153	54.3 Å²	54.3	58%	0.577	28%	0.282	S	S	*	.	H	α-helix	trans	-65.6	-48.3	177.9	-175.9	175.4	175.2	135.9	-2.1	112.2	D285 S308 L312 A313 M314	D285-R310 IonicContact OD2-NH1 3.67Å; S308-R310 PolarHBondContact O-N 3.22Å; R310-L312 VanDerWaalsContact C-N 3.33Å; R310-L312 PolarHBondContact O-N 3.1Å; R310-A313 PolarHBondContact O-N 3.4Å; R310-A313 VanDerWaalsContact O-N 3.14Å; R310-M314 HydrophobicContact CG-SD 4.36Å; R310-M314 WeakPolarHBondContact O-CG 3.32Å; R310-M314 PolarHBondContact O-N 2.68Å
311	N	94.3	Very high	92.1	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.283	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-37.8	179.3	-74.2	-28.8	0	0	0	112	S305 S308 A313 M314 E315	S305-N311 PolarHBondContact O-ND2 2.96Å; S308-N311 PolarHBondContact O-N 3.16Å; S308-N311 VanDerWaalsContact O-N 3.14Å; S308-N311 WeakPolarHBondContact OG-CB 3.38Å; S308-N311 PolarHBondContact OG-N 3.19Å; S308-N311 PolarHBondContact OG-ND2 3.28Å; N311-A313 VanDerWaalsContact C-N 3.33Å; N311-M314 PolarHBondContact O-N 3.15Å; N311-E315 WeakPolarHBondContact O-CB 3.49Å; N311-E315 PolarHBondContact O-N 3.3Å
312	L	95.8	Very high	92.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-38.5	173.2	-72.5	175	0	0	0	112	V291 P299 N307 S308 R310 E315 A316 W399	V291-L312 HydrophobicContact CB-CB 4.01Å; V291-L312 HydrophobicContact CG1-CB 4.46Å; V291-L312 HydrophobicContact CG1-CD1 4.46Å; V291-L312 HydrophobicContact CG2-CB 4.03Å; V291-L312 WeakPolarHBondContact CG2-O 3.43Å; P299-L312 HydrophobicContact CB-CD1 3.95Å; P299-L312 HydrophobicContact CG-CD1 3.82Å; N307-L312 VanDerWaalsContact O-CD1 3.28Å; N307-L312 WeakPolarHBondContact O-CD1 3.08Å; S308-L312 WeakPolarHBondContact O-CG 3.37Å; S308-L312 PolarHBondContact O-N 3.2Å; R310-L312 VanDerWaalsContact C-N 3.33Å; R310-L312 PolarHBondContact O-N 3.1Å; L312-E315 PolarHBondContact O-N 3.3Å; L312-A316 VanDerWaalsContact O-CB 3.28Å; L312-A316 WeakPolarHBondContact O-CB 3.49Å; L312-A316 PolarHBondContact O-N 3.32Å; L312-W399 HydrophobicContact CD1-CD2 4.29Å; L312-W399 HydrophobicContact CD1-CE3 4.48Å; L312-W399 HydrophobicContact CD2-CB 3.95Å; L312-W399 HydrophobicContact CD2-CD2 4.14Å; L312-W399 HydrophobicContact CD2-CE3 4.31Å; L312-W399 HydrophobicContact CD2-CG 3.99Å
313	A	95.8	Very high	93.4	Very high	8 Å²	8	44.4 Å²	44.4	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-43.8	178.1	0	0	0	0	0	111.9	L288 L289 P309 R310 N311 E315 A316 T317	L288-A313 HydrophobicContact CB-CB 4Å; L288-A313 HydrophobicContact CD1-CB 4.44Å; L289-A313 VanDerWaalsContact O-CA 3.24Å; L289-A313 WeakPolarHBondContact O-CA 3.45Å; L289-A313 WeakPolarHBondContact O-CB 3.28Å; P309-A313 WeakPolarHBondContact O-CB 3.34Å; P309-A313 PolarHBondContact O-N 3.09Å; R310-A313 PolarHBondContact O-N 3.4Å; R310-A313 VanDerWaalsContact O-N 3.14Å; N311-A313 VanDerWaalsContact C-N 3.33Å; A313-E315 PolarHBondContact O-N 3.1Å; A313-A316 PolarHBondContact O-N 3.11Å; A313-T317 PolarHBondContact O-N 2.83Å; A313-T317 PolarHBondContact O-OG1 3.24Å
314	M	95.1	Very high	94.5	Very high	93 Å²	93	41.6 Å²	41.6	46%	0.458	20%	0.204	S	C	.	.	H	α-helix	trans	-59.1	-45.3	172.8	-68.1	176.1	70.2	0	0	111.8	L288 R310 N311 T317 Y318	L288-M314 HydrophobicContact CD1-CG 4.07Å; L288-M314 HydrophobicContact CD2-CG 4.42Å; R310-M314 HydrophobicContact CG-SD 4.36Å; R310-M314 WeakPolarHBondContact O-CG 3.32Å; R310-M314 PolarHBondContact O-N 2.68Å; N311-M314 PolarHBondContact O-N 3.15Å; M314-T317 PolarHBondContact O-N 3.45Å; M314-Y318 WeakPolarHBondContact O-CB 3.34Å; M314-Y318 PolarHBondContact O-N 3.01Å
315	E	96.4	Very high	95.2	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-42.8	176	-179.2	-176.8	167.5	0	0	111.8	N311 L312 A313 Y318 I319 R454 S460 H463	N311-E315 WeakPolarHBondContact O-CB 3.49Å; N311-E315 PolarHBondContact O-N 3.3Å; L312-E315 PolarHBondContact O-N 3.3Å; A313-E315 PolarHBondContact O-N 3.1Å; E315-Y318 PolarHBondContact O-N 3.07Å; E315-I319 HydrophobicContact CG-CD1 3.83Å; E315-I319 HydrophobicContact CG-CG1 4.38Å; E315-I319 WeakPolarHBondContact O-CB 3.44Å; E315-I319 VanDerWaalsContact O-CG1 3.22Å; E315-I319 WeakPolarHBondContact O-CG1 3.43Å; E315-I319 PolarHBondContact O-N 3.23Å; E315-R454 IonicContact OE1-CZ 3.36Å; E315-R454 IonicContact OE1-NE 3.21Å; E315-R454 PolarHBondContact OE1-NE 3.21Å; E315-R454 IonicContact OE1-NH2 3.53Å; E315-R454 IonicContact OE2-CZ 3.03Å; E315-R454 IonicContact OE2-NE 3.42Å; E315-R454 PolarHBondContact OE2-NE 2.9Å; E315-R454 IonicContact OE2-NH2 3.34Å; E315-R454 PolarHBondContact OE2-NH2 2.84Å; E315-S460 WeakPolarHBondContact OE2-CB 3.14Å; E315-H463 IonicContact OE1-CD2 3.92Å; E315-H463 IonicContact OE1-CE1 3.91Å; E315-H463 IonicContact OE1-NE2 2.81Å; E315-H463 PolarHBondContact OE1-NE2 3.43Å
316	A	97.6	Very high	95.5	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-43.2	179.1	0	0	0	0	0	112.1	L289 V291 L312 A313 I319 N320	L289-A316 HydrophobicContact CB-CB 4.11Å; V291-A316 HydrophobicContact CG2-CB 3.55Å; L312-A316 VanDerWaalsContact O-CB 3.28Å; L312-A316 WeakPolarHBondContact O-CB 3.49Å; L312-A316 PolarHBondContact O-N 3.32Å; A313-A316 PolarHBondContact O-N 3.11Å; A316-I319 PolarHBondContact O-N 3.34Å; A316-N320 WeakPolarHBondContact O-CB 3.42Å; A316-N320 PolarHBondContact O-N 3.05Å
317	T	96.8	Very high	95.9	Very high	15 Å²	15	29.7 Å²	29.7	9%	0.092	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-44.9	174.3	-62.9	0	0	0	0	111.1	L288 L289 A313 M314 I319 N320 H321	L288-T317 WeakPolarHBondContact CA-OG1 3.35Å; L288-T317 HydrophobicContact CD2-CG2 4.48Å; L289-T317 PolarHBondContact N-OG1 3.47Å; A313-T317 PolarHBondContact O-N 2.83Å; A313-T317 PolarHBondContact O-OG1 3.24Å; M314-T317 PolarHBondContact O-N 3.45Å; T317-I319 PolarHBondContact O-N 2.87Å; T317-N320 PolarHBondContact O-N 3.21Å; T317-N320 VanDerWaalsContact O-N 3.16Å; T317-H321 PolarHBondContact O-N 2.7Å
318	Y	96.6	Very high	96	Very high	100 Å²	100	29.2 Å²	29.2	39%	0.392	14%	0.138	S	C	.	.	H	α-helix	trans	-58	-47.4	174.1	173.3	-99.1	0	0	0	112	S219 M314 E315 N320 H321 N322	S219-Y318 WeakPolarHBondContact CB-OH 3.39Å; S219-Y318 PolarHBondContact OG-OH 2.88Å; M314-Y318 WeakPolarHBondContact O-CB 3.34Å; M314-Y318 PolarHBondContact O-N 3.01Å; E315-Y318 PolarHBondContact O-N 3.07Å; Y318-N320 VanDerWaalsContact C-N 3.3Å; Y318-N320 PolarHBondContact O-N 2.97Å; Y318-H321 PolarHBondContact O-N 2.97Å; Y318-N322 WeakPolarHBondContact CD1-ND2 3.21Å; Y318-N322 VanDerWaalsContact CD2-ND2 3.35Å; Y318-N322 WeakPolarHBondContact CD2-ND2 3.48Å; Y318-N322 WeakPolarHBondContact CE1-ND2 3.45Å; Y318-N322 WeakPolarHBondContact CE2-ND2 3.44Å; Y318-N322 PolarHBondContact O-N 3.17Å; Y318-N322 PolarHBondContact O-ND2 2.85Å
319	I	97.8	Very high	96	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-44.3	176.2	-72.2	164.9	0	0	0	110.6	L217 E315 A316 T317 N322 F323 T395 N397 V452 H463	L217-I319 HydrophobicContact CD2-CB 4.38Å; L217-I319 HydrophobicContact CD2-CG1 4.21Å; L217-I319 HydrophobicContact CD2-CG2 4.19Å; E315-I319 HydrophobicContact CG-CD1 3.83Å; E315-I319 HydrophobicContact CG-CG1 4.38Å; E315-I319 WeakPolarHBondContact O-CB 3.44Å; E315-I319 VanDerWaalsContact O-CG1 3.22Å; E315-I319 WeakPolarHBondContact O-CG1 3.43Å; E315-I319 PolarHBondContact O-N 3.23Å; A316-I319 PolarHBondContact O-N 3.34Å; T317-I319 PolarHBondContact O-N 2.87Å; I319-N322 PolarHBondContact O-N 3.06Å; I319-F323 WeakPolarHBondContact O-CB 3.48Å; I319-F323 PolarHBondContact O-N 3.34Å; I319-T395 HydrophobicContact CG2-CG2 3.64Å; I319-N397 HydrophobicContact CD1-CB 3.84Å; I319-V452 HydrophobicContact CD1-CG1 4.48Å; I319-V452 HydrophobicContact CG2-CB 3.73Å; I319-V452 HydrophobicContact CG2-CG1 3.67Å; I319-V452 HydrophobicContact CG2-CG2 4Å; I319-H463 VanDerWaalsContact CD1-CD2 3.5Å; I319-H463 WeakPolarHBondContact CD1-CD2 3.41Å
320	N	97.7	Very high	95.8	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.08	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-45	-178.1	-172	68.7	0	0	0	112.2	L289 A316 T317 Y318 S324 K394 T395	L289-N320 HydrophobicContact CD1-CB 3.54Å; A316-N320 WeakPolarHBondContact O-CB 3.42Å; A316-N320 PolarHBondContact O-N 3.05Å; T317-N320 PolarHBondContact O-N 3.21Å; T317-N320 VanDerWaalsContact O-N 3.16Å; Y318-N320 VanDerWaalsContact C-N 3.3Å; Y318-N320 PolarHBondContact O-N 2.97Å; N320-S324 WeakPolarHBondContact O-CB 3.49Å; N320-S324 PolarHBondContact O-N 3.48Å; N320-S324 PolarHBondContact O-OG 2.88Å; N320-K394 WeakPolarHBondContact OD1-CA 3.47Å; N320-T395 WeakPolarHBondContact OD1-CB 3.14Å; N320-T395 PolarHBondContact OD1-N 3.41Å; N320-T395 PolarHBondContact OD1-OG1 2.92Å
321	H	96.3	Very high	95.3	Very high	62 Å²	62	30.5 Å²	30.5	29%	0.287	16%	0.16	S	C	.	.	H	α-helix	trans	-61.5	-44.6	175.4	-71.3	-180	0	0	0	112.1	F224 T317 Y318 S324	F224-H321 HydrophobicContact CD2-CB 4.19Å; F224-H321 AromaticContact CD2-CG 3.98Å; F224-H321 AromaticContact CD2-ND1 3.9Å; F224-H321 HydrophobicContact CE1-CB 4.34Å; F224-H321 HydrophobicContact CE2-CB 3.58Å; F224-H321 AromaticContact CE2-CG 3.86Å; F224-H321 HydrophobicContact CZ-CB 3.66Å; F224-H321 AromaticContact CZ-CG 3.97Å; F224-H321 WeakPolarHBondContact CZ-O 3.35Å; T317-H321 PolarHBondContact O-N 2.7Å; Y318-H321 PolarHBondContact O-N 2.97Å; H321-S324 PolarHBondContact O-OG 3.17Å
322	N	97.1	Very high	95	Very high	3 Å²	3	36 Å²	36	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-67.6	-45.2	179.8	-72.8	-61.2	0	0	0	112.1	L217 R218 S219 I220 Y318 I319 Q325 Q326	L217-N322 HydrophobicContact CD1-CB 4.3Å; L217-N322 HydrophobicContact CD2-CB 4.12Å; L217-N322 HydrophobicContact CG-CB 4.19Å; R218-N322 PolarHBondContact O-OD1 2.78Å; S219-N322 WeakPolarHBondContact CA-OD1 3.11Å; I220-N322 WeakPolarHBondContact CD1-O 3.41Å; I220-N322 PolarHBondContact N-OD1 3.5Å; I220-N322 PolarHBondContact O-OD1 2.83Å; Y318-N322 WeakPolarHBondContact CD1-ND2 3.21Å; Y318-N322 VanDerWaalsContact CD2-ND2 3.35Å; Y318-N322 WeakPolarHBondContact CD2-ND2 3.48Å; Y318-N322 WeakPolarHBondContact CE1-ND2 3.45Å; Y318-N322 WeakPolarHBondContact CE2-ND2 3.44Å; Y318-N322 PolarHBondContact O-N 3.17Å; Y318-N322 PolarHBondContact O-ND2 2.85Å; I319-N322 PolarHBondContact O-N 3.06Å; N322-Q325 PolarHBondContact O-N 3.29Å; N322-Q326 VanDerWaalsContact O-CB 3.24Å; N322-Q326 WeakPolarHBondContact O-CB 3.38Å; N322-Q326 PolarHBondContact O-N 3.26Å
323	F	98.1	Very high	94.6	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-39.5	-178	179.3	-94.5	0	0	0	112.2	F206 L217 I319 Q325 Q326 C327 I393 T395 G450 V452 I465 T468	F206-F323 HydrophobicContact CD1-CE2 4.5Å; L217-F323 HydrophobicContact CD1-CB 3.93Å; L217-F323 HydrophobicContact CD1-CD2 4.32Å; I319-F323 WeakPolarHBondContact O-CB 3.48Å; I319-F323 PolarHBondContact O-N 3.34Å; F323-Q325 PolarHBondContact O-N 3.05Å; F323-Q326 PolarHBondContact O-N 2.97Å; F323-C327 HydrophobicContact CE2-CB 4.41Å; F323-C327 HydrophobicContact CZ-CB 4.15Å; F323-C327 PolarHBondContact O-N 2.94Å; F323-C327 PolarHBondContact O-SG 3.33Å; F323-I393 HydrophobicContact CD1-CG2 3.96Å; F323-I393 HydrophobicContact CE1-CG2 3.77Å; F323-T395 HydrophobicContact CB-CG2 3.94Å; F323-T395 WeakPolarHBondContact CB-OG1 3.11Å; F323-T395 HydrophobicContact CD1-CG2 4.11Å; F323-T395 WeakPolarHBondContact CD1-OG1 3.35Å; F323-T395 HydrophobicContact CG-CG2 3.97Å; F323-G450 VanDerWaalsContact CE1-CA 3.48Å; F323-G450 VanDerWaalsContact CZ-CA 3.46Å; F323-V452 HydrophobicContact CD2-CG2 4.08Å; F323-V452 HydrophobicContact CG-CG2 4.42Å; F323-I465 HydrophobicContact CD2-CD1 3.85Å; F323-I465 HydrophobicContact CD2-CG1 4Å; F323-I465 HydrophobicContact CD2-CG2 4.42Å; F323-I465 HydrophobicContact CE2-CD1 4.03Å; F323-I465 HydrophobicContact CE2-CG1 4.23Å; F323-I465 HydrophobicContact CE2-CG2 3.83Å; F323-T468 HydrophobicContact CE2-CG2 4.21Å; F323-T468 HydrophobicContact CZ-CG2 3.66Å
324	S	97.1	Very high	94.4	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-35.8	179.6	69.3	0	0	0	0	111.9	N320 H321 L328	N320-S324 WeakPolarHBondContact O-CB 3.49Å; N320-S324 PolarHBondContact O-N 3.48Å; N320-S324 PolarHBondContact O-OG 2.88Å; H321-S324 PolarHBondContact O-OG 3.17Å; S324-L328 WeakPolarHBondContact O-CD1 3.39Å; S324-L328 WeakPolarHBondContact O-CG 3.06Å
325	Q	96.1	Very high	94.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-88	-37.8	177.1	-52	-53.9	-59.9	0	0	112.2	I220 R222 F224 N322 F323 C327 L328 M330	I220-Q325 HydrophobicContact CD1-CB 4.36Å; I220-Q325 HydrophobicContact CG2-CB 4.01Å; R222-Q325 HydrophobicContact CG-CG 4.3Å; F224-Q325 HydrophobicContact CE1-CG 4.47Å; F224-Q325 HydrophobicContact CE2-CG 4.44Å; F224-Q325 HydrophobicContact CZ-CG 3.68Å; N322-Q325 PolarHBondContact O-N 3.29Å; F323-Q325 PolarHBondContact O-N 3.05Å; Q325-C327 VanDerWaalsContact C-N 3.28Å; Q325-C327 PolarHBondContact O-N 3.36Å; Q325-L328 WeakPolarHBondContact O-CB 3.34Å; Q325-L328 PolarHBondContact O-N 3.16Å; Q325-L328 VanDerWaalsContact O-N 3.1Å; Q325-M330 VanDerWaalsContact C-CE 3.41Å; Q325-M330 HydrophobicContact CB-CE 3.77Å; Q325-M330 WeakPolarHBondContact O-CE 3.39Å
326	Q	96.8	Very high	94.3	Very high	21 Å²	21	48.8 Å²	48.8	10%	0.098	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-32.8	-174.8	-167.5	169.9	-17.5	0	0	113.5	F206 P216 I220 N322 F323 L328	F206-Q326 HydrophobicContact CE1-CG 4.34Å; F206-Q326 WeakPolarHBondContact CE2-O 3.23Å; F206-Q326 HydrophobicContact CZ-CG 4.11Å; F206-Q326 WeakPolarHBondContact CZ-O 3.44Å; P216-Q326 PolarHBondContact O-NE2 3.45Å; I220-Q326 HydrophobicContact CD1-CB 3.41Å; I220-Q326 VanDerWaalsContact CD1-CB 3.41Å; I220-Q326 HydrophobicContact CD1-CG 3.95Å; N322-Q326 VanDerWaalsContact O-CB 3.24Å; N322-Q326 WeakPolarHBondContact O-CB 3.38Å; N322-Q326 PolarHBondContact O-N 3.26Å; F323-Q326 PolarHBondContact O-N 2.97Å; Q326-L328 PolarHBondContact O-N 3.01Å
327	C	96.6	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-0	-180	67.4	0	0	0	0	113.8	Y202 D203 F206 F323 Q325	Y202-C327 HydrophobicContact CD2-CB 4.36Å; Y202-C327 HydrophobicContact CE2-CB 3.89Å; D203-C327 PolarHBondContact N-O 2.93Å; F206-C327 HydrophobicContact CB-CB 4.5Å; F206-C327 HydrophobicContact CD1-CB 3.87Å; F206-C327 HydrophobicContact CD2-CB 4.32Å; F206-C327 HydrophobicContact CE1-CB 4.15Å; F206-C327 HydrophobicContact CG-CB 3.97Å; F206-C327 HydrophobicContact CZ-CB 4.49Å; F323-C327 HydrophobicContact CE2-CB 4.41Å; F323-C327 HydrophobicContact CZ-CB 4.15Å; F323-C327 PolarHBondContact O-N 2.94Å; F323-C327 PolarHBondContact O-SG 3.33Å; Q325-C327 VanDerWaalsContact C-N 3.28Å; Q325-C327 PolarHBondContact O-N 3.36Å
328	L	96.3	Very high	94.1	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-99.3	160.7	177	-54.9	177.9	0	0	0	111.7	E200 Y202 S324 Q325 Q326 M330 S355 D378 I393	E200-L328 HydrophobicContact CB-CB 3.87Å; E200-L328 HydrophobicContact CB-CD1 4.01Å; E200-L328 HydrophobicContact CB-CG 4.44Å; Y202-L328 HydrophobicContact CD2-CD2 4.37Å; S324-L328 WeakPolarHBondContact O-CD1 3.39Å; S324-L328 WeakPolarHBondContact O-CG 3.06Å; Q325-L328 WeakPolarHBondContact O-CB 3.34Å; Q325-L328 PolarHBondContact O-N 3.16Å; Q325-L328 VanDerWaalsContact O-N 3.1Å; Q326-L328 PolarHBondContact O-N 3.01Å; L328-M330 PolarHBondContact O-N 3.5Å; L328-S355 VanDerWaalsContact CD1-CB 3.48Å; L328-S355 WeakPolarHBondContact CD1-OG 3.27Å; L328-D378 WeakPolarHBondContact CD1-O 3.17Å; L328-I393 HydrophobicContact CD2-CD1 3.68Å; L328-I393 HydrophobicContact CG-CD1 4.34Å
329	R	93.4	Very high	94	Very high	97 Å²	97	52.4 Å²	52.4	37%	0.366	26%	0.264	S	S	.	.			trans	-86.5	81.1	178.1	-66	179.6	174.4	175.4	0.8	110.9	Y201 D203 R332	Y201-R329 WeakPolarHBondContact O-CB 3.33Å; Y201-R329 WeakPolarHBondContact O-CG 3.49Å; Y201-R329 PolarHBondContact O-N 3.44Å; D203-R329 HydrophobicContact CB-CG 3.81Å; D203-R329 IonicContact OD1-CZ 3.9Å; D203-R329 IonicContact OD1-NE 3.49Å; D203-R329 PolarHBondContact OD1-NE 2.9Å; D203-R329 IonicContact OD1-NH2 3.36Å; D203-R329 PolarHBondContact OD1-NH2 2.94Å; R329-R332 HydrophobicContact CB-CB 4.48Å; R329-R332 HydrophobicContact CB-CG 4.36Å
330	M	88.2	Confident	93.8	Very high	72 Å²	72	56.4 Å²	56.4	36%	0.355	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	142.1	177.2	-59.5	-178.4	-174.5	0	0	112.9	E200 I220 Q325 L328 R332	E200-M330 WeakPolarHBondContact OE2-CA 3.3Å; I220-M330 HydrophobicContact CB-CE 4.49Å; I220-M330 HydrophobicContact CD1-CE 3.5Å; I220-M330 HydrophobicContact CG1-CE 3.91Å; I220-M330 HydrophobicContact CG2-CE 3.82Å; Q325-M330 VanDerWaalsContact C-CE 3.41Å; Q325-M330 HydrophobicContact CB-CE 3.77Å; Q325-M330 WeakPolarHBondContact O-CE 3.39Å; L328-M330 PolarHBondContact O-N 3.5Å; M330-R332 PolarHBondContact O-N 2.92Å
331	G	82.5	Confident	93.6	Very high	67 Å²	67	56.4 Å²	56.4	69%	0.691	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	13.4	175.5	0	0	0	0	0	114.7
332	R	86.1	Confident	93.4	Very high	169 Å²	169	55.2 Å²	55.2	64%	0.638	29%	0.288	S	S	*	.	S	Bend	trans	-106.1	177.9	171.4	-61.7	-161	-179	-159.7	-2.1	110.8	R329 M330 R334	R329-R332 HydrophobicContact CB-CB 4.48Å; R329-R332 HydrophobicContact CB-CG 4.36Å; M330-R332 PolarHBondContact O-N 2.92Å; R332-R334 PolarHBondContact O-N 3.09Å
333	E	88.1	Confident	93.3	Very high	163 Å²	163	56.6 Å²	56.6	76%	0.762	29%	0.294	S	S	*	.			trans	-53.3	136.1	172.4	-171.9	-179.8	-169.7	0	0	111.2	Y201	Y201-E333 WeakPolarHBondContact CD2-O 3.22Å
334	R	92.8	Very high	92.8	Very high	36 Å²	36	58 Å²	58	14%	0.136	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	149.1	177.2	-61.6	-171	176.5	167.3	2.3	109.7	A198 L199 E200 R332 N336 K350	A198-R334 HydrophobicContact CB-CB 4.43Å; L199-R334 CarbonylContact O-C 3.54Å; L199-R334 WeakPolarHBondContact O-CA 3.44Å; L199-R334 WeakPolarHBondContact O-CB 3.41Å; E200-R334 HydrophobicContact CG-CG 3.84Å; E200-R334 IonicContact OE1-CZ 2.78Å; E200-R334 IonicContact OE1-NE 3.65Å; E200-R334 PolarHBondContact OE1-NE 2.88Å; E200-R334 IonicContact OE1-NH2 3.34Å; E200-R334 PolarHBondContact OE1-NH2 2.78Å; R332-R334 PolarHBondContact O-N 3.09Å; R334-N336 PolarHBondContact O-N 2.85Å; R334-K350 PolarHBondContact NH1-O 3.22Å; R334-K350 PolarHBondContact NH2-O 2.73Å; R334-K350 VanDerWaalsContact NH2-O 3.16Å
335	Y	94.5	Very high	92.2	Very high	74 Å²	74	64.6 Å²	64.6	29%	0.29	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	112.9	164.4	-178.3	-89.2	0	0	0	108.6	A198 L199 F337 V388 F390	A198-Y335 CarbonylContact C-O 3.53Å; A198-Y335 WeakPolarHBondContact CA-O 3.26Å; L199-Y335 PolarHBondContact N-O 3.42Å; L199-Y335 PolarHBondContact O-N 3.1Å; Y335-F337 HydrophobicContact CD1-CE2 4.41Å; Y335-F337 HydrophobicContact CE1-CD1 4.23Å; Y335-F337 HydrophobicContact CE1-CD2 4.45Å; Y335-F337 HydrophobicContact CE1-CE1 4.02Å; Y335-F337 HydrophobicContact CE1-CE2 4.21Å; Y335-F337 HydrophobicContact CE1-CG 4.47Å; Y335-F337 HydrophobicContact CE1-CZ 4.02Å; Y335-V388 HydrophobicContact CD2-CG1 4.06Å; Y335-V388 HydrophobicContact CE2-CG1 4.04Å; Y335-F390 HydrophobicContact CD1-CE1 4.1Å; Y335-F390 AromaticContact CE1-CE1 3.7Å; Y335-F390 HydrophobicContact CE1-CE1 3.7Å; Y335-F390 AromaticContact CE1-CZ 3.92Å; Y335-F390 HydrophobicContact CE1-CZ 3.92Å
336	N	94.4	Very high	91.3	Very high	112 Å²	112	71.7 Å²	71.7	60%	0.599	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.5	179.7	-60.4	-57.1	0	0	0	109.9	A198 R334	A198-N336 VanDerWaalsContact CB-OD1 3.32Å; A198-N336 WeakPolarHBondContact CB-OD1 3.28Å; R334-N336 PolarHBondContact O-N 2.85Å
337	F	95.1	Very high	90.4	Very high	22 Å²	22	76.8 Å²	76.8	10%	0.096	40%	0.399	C	S	.	.			trans	-75.5	167.5	165.8	-81.7	-73	0	0	0	111.1	C195 G197 L199 Y335 N339 A357 F390	C195-F337 HydrophobicContact CB-CB 4.26Å; C195-F337 HydrophobicContact CB-CD1 3.36Å; C195-F337 HydrophobicContact CB-CE1 3.8Å; C195-F337 HydrophobicContact CB-CG 3.92Å; G197-F337 WeakPolarHBondContact O-CB 3.49Å; G197-F337 PolarHBondContact O-N 2.89Å; L199-F337 HydrophobicContact CD1-CE2 3.96Å; L199-F337 HydrophobicContact CG-CE2 4.36Å; Y335-F337 HydrophobicContact CD1-CE2 4.41Å; Y335-F337 HydrophobicContact CE1-CD1 4.23Å; Y335-F337 HydrophobicContact CE1-CD2 4.45Å; Y335-F337 HydrophobicContact CE1-CE1 4.02Å; Y335-F337 HydrophobicContact CE1-CE2 4.21Å; Y335-F337 HydrophobicContact CE1-CG 4.47Å; Y335-F337 HydrophobicContact CE1-CZ 4.02Å; F337-N339 PolarHBondContact O-N 3.34Å; F337-A357 HydrophobicContact CD2-CB 3.49Å; F337-A357 VanDerWaalsContact CD2-CB 3.49Å; F337-A357 HydrophobicContact CE2-CB 3.28Å; F337-A357 HydrophobicContact CZ-CB 4.46Å; F337-F390 HydrophobicContact CE1-CE1 4.26Å; F337-F390 HydrophobicContact CE1-CZ 4.05Å; F337-F390 HydrophobicContact CE2-CE1 4.13Å; F337-F390 HydrophobicContact CZ-CD1 4.27Å; F337-F390 AromaticContact CZ-CE1 3.48Å; F337-F390 HydrophobicContact CZ-CE1 3.48Å; F337-F390 VanDerWaalsContact CZ-CE1 3.48Å; F337-F390 AromaticContact CZ-CZ 3.68Å; F337-F390 HydrophobicContact CZ-CZ 3.68Å
338	P	94.1	Very high	89.5	Confident	114 Å²	114	79.5 Å²	79.5	74%	0.74	41%	0.412	S	S	*	.	S	Bend	trans	-56.9	-37.5	179	-26.9	36	0	0	0	113.5
339	N	94.5	Very high	88.6	Confident	58 Å²	58	84.3 Å²	84.3	31%	0.31	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-105.7	146.5	-179.4	-62.7	-19.2	0	0	0	111.2	E194 C195 C196 G197 F337	E194-N339 VanDerWaalsContact CD-ND2 3.35Å; E194-N339 VanDerWaalsContact CG-ND2 3.27Å; E194-N339 WeakPolarHBondContact CG-ND2 3.09Å; E194-N339 PolarHBondContact OE1-ND2 2.75Å; C195-N339 PolarHBondContact O-N 2.81Å; C196-N339 CarbonylContact C-O 3.57Å; C196-N339 WeakPolarHBondContact CA-O 3.33Å; C196-N339 HydrophobicContact CB-CB 4.44Å; G197-N339 PolarHBondContact N-O 2.63Å; F337-N339 PolarHBondContact O-N 3.34Å
340	P	93.3	Very high	87.7	Confident	85 Å²	85	86.3 Å²	86.3	55%	0.552	45%	0.45	S	S	*	.			trans	-67.9	175.4	175.5	31.1	-35.5	0	0	0	111.4	C196 G197	C196-P340 VanDerWaalsContact CB-O 3.28Å; C196-P340 WeakPolarHBondContact CB-O 3.37Å; G197-P340 PolarHBondContact N-O 2.86Å
341	N	93.7	Very high	87	Confident	16 Å²	16	87.9 Å²	87.9	9%	0.086	46%	0.459	C	S	.	.			trans	-68.3	125.2	172.7	178.5	-11.3	0	0	0	108.6	F343 V344	N341-F343 PolarHBondContact O-N 3.25Å; N341-F343 WeakPolarHBondContact OD1-CD2 3.34Å; N341-F343 PolarHBondContact OD1-N 3.49Å; N341-V344 HydrophobicContact CB-CG2 3.81Å; N341-V344 WeakPolarHBondContact O-CG2 3.33Å
342	P	93.4	Very high	87.2	Confident	37 Å²	37	89.8 Å²	89.8	24%	0.24	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.6	-174.6	32.5	-38.2	0	0	0	114.2	P233 V234	P233-P342 HydrophobicContact CG-CB 4.24Å; V234-P342 HydrophobicContact CG2-CB 3.65Å; V234-P342 HydrophobicContact CG2-CG 3.92Å
343	F	93.2	Very high	87.4	Confident	32 Å²	32	82.3 Å²	82.3	14%	0.14	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	8.7	-175.8	-49.1	-59.2	0	0	0	113.4	H225 V227 D232 N341 Y358	H225-F343 HydrophobicContact CB-CB 4.19Å; H225-F343 HydrophobicContact CB-CD2 4.27Å; H225-F343 HydrophobicContact CB-CG 4.4Å; V227-F343 HydrophobicContact CB-CD1 4.1Å; V227-F343 HydrophobicContact CB-CE1 3.92Å; V227-F343 HydrophobicContact CB-CZ 4.4Å; V227-F343 HydrophobicContact CG1-CD1 4.15Å; V227-F343 HydrophobicContact CG1-CE1 3.87Å; V227-F343 HydrophobicContact CG2-CB 4.39Å; V227-F343 HydrophobicContact CG2-CD1 3.62Å; V227-F343 HydrophobicContact CG2-CE1 3.98Å; V227-F343 HydrophobicContact CG2-CG 3.93Å; D232-F343 HydrophobicContact CB-CE1 4.3Å; D232-F343 WeakPolarHBondContact OD2-CZ 3.08Å; N341-F343 PolarHBondContact O-N 3.25Å; N341-F343 WeakPolarHBondContact OD1-CD2 3.34Å; N341-F343 PolarHBondContact OD1-N 3.49Å; F343-Y358 HydrophobicContact CD2-CD2 4.21Å; F343-Y358 HydrophobicContact CD2-CE1 4.31Å; F343-Y358 AromaticContact CD2-CE2 3.56Å; F343-Y358 HydrophobicContact CD2-CE2 3.56Å; F343-Y358 AromaticContact CD2-CZ 3.61Å; F343-Y358 AromaticContact CE2-CD1 3.94Å; F343-Y358 HydrophobicContact CE2-CD1 3.94Å; F343-Y358 AromaticContact CE2-CD2 3.78Å; F343-Y358 HydrophobicContact CE2-CD2 3.78Å; F343-Y358 AromaticContact CE2-CE1 3.64Å; F343-Y358 HydrophobicContact CE2-CE1 3.64Å; F343-Y358 AromaticContact CE2-CE2 3.48Å; F343-Y358 HydrophobicContact CE2-CE2 3.48Å; F343-Y358 VanDerWaalsContact CE2-CE2 3.48Å; F343-Y358 HydrophobicContact CE2-CG 4Å; F343-Y358 AromaticContact CE2-CZ 3.39Å
344	V	89.2	Confident	87.6	Confident	30 Å²	30	74.8 Å²	74.8	18%	0.182	39%	0.388	C	S	.	.	S	Bend	trans	-130.5	140.8	-177.2	-59.8	0	0	0	0	109.8	H225 N341 M348 I353	H225-V344 WeakPolarHBondContact CE1-CG1 3.33Å; N341-V344 HydrophobicContact CB-CG2 3.81Å; N341-V344 WeakPolarHBondContact O-CG2 3.33Å; V344-M348 HydrophobicContact CB-CE 4.22Å; V344-M348 HydrophobicContact CB-SD 4.23Å; V344-M348 HydrophobicContact CG1-CE 4.14Å; V344-M348 HydrophobicContact CG1-SD 3.93Å; V344-I353 HydrophobicContact CB-CD1 3.89Å; V344-I353 HydrophobicContact CG1-CD1 3.6Å; V344-I353 HydrophobicContact CG1-CG1 4Å; V344-I353 HydrophobicContact CG1-CG2 4.39Å; V344-I353 HydrophobicContact CG2-CD1 3.77Å
345	E	83.3	Confident	87.7	Confident	142 Å²	142	73 Å²	73	66%	0.664	38%	0.382	S	S	*	.			trans	-73.8	151.6	170.1	-63.8	-176.1	-160.5	0	0	110.2	D347 M348	E345-D347 WeakPolarHBondContact CB-OD1 3.46Å; E345-D347 PolarHBondContact O-N 3.47Å; E345-M348 WeakPolarHBondContact O-CB 3.34Å; E345-M348 PolarHBondContact O-N 3.23Å; E345-M348 VanDerWaalsContact O-N 3.17Å
346	D	76.9	Confident	87.8	Confident	149 Å²	149	70.1 Å²	70.1	80%	0.797	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.4	-174.5	-80.4	-36.6	0	0	0	113.6
347	D	77.8	Confident	87.9	Confident	128 Å²	128	64.8 Å²	64.8	68%	0.684	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.5	179.3	70.2	-27	0	0	0	113.6	E345	E345-D347 WeakPolarHBondContact CB-OD1 3.46Å; E345-D347 PolarHBondContact O-N 3.47Å
348	M	78.8	Confident	88	Confident	58 Å²	58	63.9 Å²	63.9	29%	0.286	34%	0.339	S	S	.	.	S	Bend	trans	-70.2	135.3	178.5	-165.3	-171.5	-64.5	0	0	111.2	I223 V344 E345 K350 I353	I223-M348 HydrophobicContact CD1-SD 3.93Å; V344-M348 HydrophobicContact CB-CE 4.22Å; V344-M348 HydrophobicContact CB-SD 4.23Å; V344-M348 HydrophobicContact CG1-CE 4.14Å; V344-M348 HydrophobicContact CG1-SD 3.93Å; E345-M348 WeakPolarHBondContact O-CB 3.34Å; E345-M348 PolarHBondContact O-N 3.23Å; E345-M348 VanDerWaalsContact O-N 3.17Å; M348-K350 PolarHBondContact O-N 2.93Å; M348-I353 HydrophobicContact SD-CD1 4.19Å; M348-I353 HydrophobicContact SD-CG1 3.81Å
349	D	77.8	Confident	88.2	Confident	110 Å²	110	59.7 Å²	59.7	59%	0.588	31%	0.308	S	S	*	.			trans	-61	110	176.9	-91.8	-33.9	0	0	0	110.8	N351 E352	D349-N351 PolarHBondContact O-N 2.97Å; D349-E352 HydrophobicContact CB-CG 4Å; D349-E352 PolarHBondContact O-N 3.49Å
350	K	73.6	Confident	88.3	Confident	139 Å²	139	56.9 Å²	56.9	60%	0.604	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.6	179.5	-61.7	-175.2	-176.8	-175.8	0	113.6	R334 M348 E352	R334-K350 PolarHBondContact NH1-O 3.22Å; R334-K350 PolarHBondContact NH2-O 2.73Å; R334-K350 VanDerWaalsContact NH2-O 3.16Å; M348-K350 PolarHBondContact O-N 2.93Å; K350-E352 VanDerWaalsContact C-N 3.35Å
351	N	74.6	Confident	88.5	Confident	104 Å²	104	54 Å²	54	56%	0.556	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.6	176	-76.3	-32	0	0	0	114.1	R222 D349	R222-N351 WeakPolarHBondContact CD-O 3.48Å; R222-N351 PolarHBondContact NE-O 3.34Å; R222-N351 PolarHBondContact NH1-O 2.81Å; D349-N351 PolarHBondContact O-N 2.97Å
352	E	85.1	Confident	88.6	Confident	108 Å²	108	57.1 Å²	57.1	51%	0.505	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-21.9	175.1	-60.3	-162.1	157	0	0	112.2	R222 I223 D349 K350	R222-E352 CarbonylContact C-O 3.56Å; R222-E352 WeakPolarHBondContact CA-O 3.43Å; R222-E352 WeakPolarHBondContact CD-O 3.28Å; I223-E352 HydrophobicContact CD1-CB 4.45Å; I223-E352 PolarHBondContact N-O 3.07Å; D349-E352 HydrophobicContact CB-CG 4Å; D349-E352 PolarHBondContact O-N 3.49Å; K350-E352 VanDerWaalsContact C-N 3.35Å
353	I	90.5	Very high	88.8	Confident	12 Å²	12	55.8 Å²	55.8	6%	0.062	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-74.6	138	178	-50.3	164.8	0	0	0	109.9	R222 V344 M348	R222-I353 PolarHBondContact NH1-O 2.92Å; V344-I353 HydrophobicContact CB-CD1 3.89Å; V344-I353 HydrophobicContact CG1-CD1 3.6Å; V344-I353 HydrophobicContact CG1-CG1 4Å; V344-I353 HydrophobicContact CG1-CG2 4.39Å; V344-I353 HydrophobicContact CG2-CD1 3.77Å; M348-I353 HydrophobicContact SD-CD1 4.19Å; M348-I353 HydrophobicContact SD-CG1 3.81Å
354	A	93.6	Very high	88.8	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.033	29%	0.294	C	S	.	.			trans	-60	148.6	171.6	0	0	0	0	0	111.4	R222 I223 F224 V356	R222-A354 HydrophobicContact CB-CB 4.14Å; I223-A354 VanDerWaalsContact O-CB 3.32Å; I223-A354 WeakPolarHBondContact O-CB 3.32Å; I223-A354 PolarHBondContact O-N 2.86Å; F224-A354 HydrophobicContact CD1-CB 3.82Å; F224-A354 HydrophobicContact CD2-CB 4.42Å; F224-A354 HydrophobicContact CE1-CB 3.68Å; F224-A354 HydrophobicContact CE2-CB 4.29Å; F224-A354 HydrophobicContact CG-CB 4.2Å; F224-A354 HydrophobicContact CZ-CB 3.94Å; A354-V356 PolarHBondContact O-N 2.82Å
355	S	95.3	Very high	88.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-67.7	102.6	168	170.1	0	0	0	0	108.7	E200 L328 D378	E200-S355 PolarHBondContact N-OG 2.86Å; L328-S355 VanDerWaalsContact CD1-CB 3.48Å; L328-S355 WeakPolarHBondContact CD1-OG 3.27Å; S355-D378 VanDerWaalsContact O-O 3.06Å; S355-D378 PolarHBondContact OG-O 3.44Å
356	V	95.9	Very high	89	Confident	13 Å²	13	53.7 Å²	53.7	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.2	176.7	64	0	0	0	0	109	A198 A354 Y358 E376 H377	A198-V356 PolarHBondContact N-O 3.4Å; A198-V356 PolarHBondContact O-N 3.07Å; A354-V356 PolarHBondContact O-N 2.82Å; V356-Y358 HydrophobicContact CG1-CE2 3.79Å; V356-Y358 HydrophobicContact CG2-CE1 4.09Å; V356-Y358 HydrophobicContact CG2-CE2 4.27Å; V356-E376 HydrophobicContact CG2-CB 4.46Å; V356-E376 HydrophobicContact CG2-CG 4.49Å; V356-H377 WeakPolarHBondContact CA-O 3.18Å
357	A	96.5	Very high	89.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.5	170	0	0	0	0	0	110.6	C196 L199 F337 E376 H377	C196-A357 CarbonylContact O-C 3.54Å; C196-A357 VanDerWaalsContact O-CA 3.28Å; C196-A357 WeakPolarHBondContact O-CA 3.28Å; C196-A357 WeakPolarHBondContact O-CB 3.22Å; L199-A357 HydrophobicContact CD1-CB 4.02Å; L199-A357 HydrophobicContact CD2-CB 3.57Å; L199-A357 HydrophobicContact CG-CB 3.67Å; F337-A357 HydrophobicContact CD2-CB 3.49Å; F337-A357 VanDerWaalsContact CD2-CB 3.49Å; F337-A357 HydrophobicContact CE2-CB 3.28Å; F337-A357 HydrophobicContact CZ-CB 4.46Å; A357-E376 WeakPolarHBondContact O-CA 3.31Å; A357-H377 PolarHBondContact N-O 3.25Å; A357-H377 PolarHBondContact O-N 2.9Å
358	Y	97.5	Very high	89.6	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.1	-177.7	-56.1	-81.2	0	0	0	109.2	C195 C196 F343 V356 R374 C375 E376	C195-Y358 WeakPolarHBondContact CA-O 3.29Å; C196-Y358 PolarHBondContact N-O 3.13Å; C196-Y358 PolarHBondContact O-N 2.64Å; F343-Y358 HydrophobicContact CD2-CD2 4.21Å; F343-Y358 HydrophobicContact CD2-CE1 4.31Å; F343-Y358 AromaticContact CD2-CE2 3.56Å; F343-Y358 HydrophobicContact CD2-CE2 3.56Å; F343-Y358 AromaticContact CD2-CZ 3.61Å; F343-Y358 AromaticContact CE2-CD1 3.94Å; F343-Y358 HydrophobicContact CE2-CD1 3.94Å; F343-Y358 AromaticContact CE2-CD2 3.78Å; F343-Y358 HydrophobicContact CE2-CD2 3.78Å; F343-Y358 AromaticContact CE2-CE1 3.64Å; F343-Y358 HydrophobicContact CE2-CE1 3.64Å; F343-Y358 AromaticContact CE2-CE2 3.48Å; F343-Y358 HydrophobicContact CE2-CE2 3.48Å; F343-Y358 VanDerWaalsContact CE2-CE2 3.48Å; F343-Y358 HydrophobicContact CE2-CG 4Å; F343-Y358 AromaticContact CE2-CZ 3.39Å; V356-Y358 HydrophobicContact CG1-CE2 3.79Å; V356-Y358 HydrophobicContact CG2-CE1 4.09Å; V356-Y358 HydrophobicContact CG2-CE2 4.27Å; Y358-R374 HydrophobicContact CD1-CG 3.99Å; Y358-C375 CarbonylContact C-O 3.55Å; Y358-C375 WeakPolarHBondContact CA-O 3.29Å; Y358-E376 HydrophobicContact CD1-CG 3.84Å; Y358-E376 HydrophobicContact CE1-CG 3.91Å; Y358-E376 WeakPolarHBondContact CE1-OE1 3.38Å
359	R	97.1	Very high	90.4	Very high	25 Å²	25	50.9 Å²	50.9	9%	0.094	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.3	176.6	-170.6	-174.4	-63.5	-130.3	4.9	108.6	D192 R361 C375 H377 F390	D192-R359 WeakPolarHBondContact OD1-CD 3.46Å; D192-R359 IonicContact OD2-CZ 2.75Å; D192-R359 IonicContact OD2-NH1 3.18Å; D192-R359 PolarHBondContact OD2-NH1 2.71Å; R359-R361 HydrophobicContact CB-CG 4.35Å; R359-R361 HydrophobicContact CG-CG 3.64Å; R359-C375 PolarHBondContact N-O 3.25Å; R359-C375 PolarHBondContact O-N 3.45Å; R359-H377 PolarHBondContact NE-NE2 2.99Å; R359-H377 PolarHBondContact NH2-NE2 3.17Å; R359-F390 VanDerWaalsContact NH2-CE2 3.27Å
360	Y	97.6	Very high	91.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.6	175.8	-61.1	-88.7	0	0	0	108.4	I193 E194 D232 V234 I235 L238 R374	I193-Y360 PolarHBondContact N-O 2.85Å; E194-Y360 HydrophobicContact CB-CD2 3.98Å; E194-Y360 HydrophobicContact CG-CD2 4.49Å; E194-Y360 PolarHBondContact O-N 2.89Å; D232-Y360 PolarHBondContact OD1-OH 2.81Å; D232-Y360 PolarHBondContact OD2-OH 3.32Å; D232-Y360 VanDerWaalsContact OD2-OH 3.05Å; V234-Y360 HydrophobicContact CB-CE1 3.85Å; V234-Y360 HydrophobicContact CB-CE2 3.83Å; V234-Y360 VanDerWaalsContact CB-CZ 3.46Å; V234-Y360 HydrophobicContact CG1-CD1 4.06Å; V234-Y360 HydrophobicContact CG1-CD2 3.74Å; V234-Y360 HydrophobicContact CG1-CE1 3.87Å; V234-Y360 HydrophobicContact CG1-CE2 3.54Å; V234-Y360 HydrophobicContact CG1-CG 4Å; V234-Y360 HydrophobicContact CG2-CE2 4.02Å; I235-Y360 HydrophobicContact CD1-CE1 4.45Å; I235-Y360 HydrophobicContact CG1-CD1 4.2Å; I235-Y360 HydrophobicContact CG1-CE1 3.81Å; L238-Y360 HydrophobicContact CD1-CD1 4.06Å; L238-Y360 HydrophobicContact CD1-CG 4.14Å; Y360-R374 HydrophobicContact CD1-CB 4.02Å; Y360-R374 HydrophobicContact CD1-CG 4.24Å; Y360-R374 HydrophobicContact CE1-CB 3.72Å; Y360-R374 HydrophobicContact CE1-CG 3.64Å
361	R	97.1	Very high	92.4	Very high	25 Å²	25	40 Å²	40	9%	0.094	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.8	-172.3	-59	-171.7	94.7	-171.7	5.5	110.4	P190 Q191 D192 R359 W363 I372 V373 L441 A442	P190-R361 HydrophobicContact CB-CB 4.21Å; Q191-R361 CarbonylContact O-C 3.57Å; Q191-R361 WeakPolarHBondContact O-CA 3.49Å; D192-R361 WeakPolarHBondContact OD1-CG 3.49Å; D192-R361 IonicContact OD1-CZ 3.51Å; D192-R361 IonicContact OD1-NE 2.99Å; D192-R361 PolarHBondContact OD1-NE 2.68Å; D192-R361 IonicContact OD1-NH2 2.81Å; D192-R361 PolarHBondContact OD1-NH2 3.02Å; R359-R361 HydrophobicContact CB-CG 4.35Å; R359-R361 HydrophobicContact CG-CG 3.64Å; R361-W363 HydrophobicContact CB-CE3 4.1Å; R361-W363 HydrophobicContact CB-CH2 3.38Å; R361-W363 HydrophobicContact CB-CZ2 4.3Å; R361-W363 HydrophobicContact CB-CZ3 3.24Å; R361-W363 HydrophobicContact CG-CH2 4.16Å; R361-W363 HydrophobicContact CG-CZ3 4.43Å; R361-W363 WeakPolarHBondContact O-CZ3 3.41Å; R361-I372 WeakPolarHBondContact O-CA 3.28Å; R361-V373 PolarHBondContact N-O 2.92Å; R361-V373 PolarHBondContact O-N 3.29Å; R361-L441 WeakPolarHBondContact CD-O 3.36Å; R361-L441 PolarHBondContact NH1-O 3.36Å; R361-A442 VanDerWaalsContact NH1-C 3.34Å; R361-A442 PolarHBondContact NH1-O 3.49Å
362	R	96.5	Very high	93.5	Very high	81 Å²	81	35 Å²	35	31%	0.306	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.7	-177.2	-172	179.7	175.1	-177.3	-4	111	P190 Q191 I193 D370 L371 I372	P190-R362 WeakPolarHBondContact CA-O 3.35Å; Q191-R362 PolarHBondContact N-O 2.64Å; Q191-R362 PolarHBondContact O-N 3.4Å; I193-R362 HydrophobicContact CD1-CB 3.77Å; I193-R362 HydrophobicContact CD1-CG 4.47Å; I193-R362 HydrophobicContact CG1-CB 4.1Å; R362-D370 WeakPolarHBondContact CD-OD1 3.48Å; R362-D370 WeakPolarHBondContact CG-OD1 3.13Å; R362-D370 IonicContact CZ-OD1 2.83Å; R362-D370 IonicContact CZ-OD2 3.31Å; R362-D370 IonicContact NE-OD1 3.73Å; R362-D370 PolarHBondContact NE-OD1 3.18Å; R362-D370 IonicContact NE-OD2 2.87Å; R362-D370 PolarHBondContact NE-OD2 2.79Å; R362-D370 IonicContact NH2-OD1 3.68Å; R362-D370 IonicContact NH2-OD2 3.38Å; R362-D370 PolarHBondContact NH2-OD2 3.15Å; R362-L371 CarbonylContact C-O 3.58Å; R362-L371 WeakPolarHBondContact CA-O 3.32Å; R362-I372 HydrophobicContact CG-CG1 4.32Å
363	W	96.4	Very high	94.1	Very high	8 Å²	8	29.9 Å²	29.9	3%	0.03	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136	172.2	-72.3	-98.8	0	0	0	110.5	S188 P190 R361 L365 L371 V373 L441 W488	S188-W363 VanDerWaalsContact O-CD1 3.31Å; P190-W363 HydrophobicContact CB-CD2 3.75Å; P190-W363 HydrophobicContact CB-CE3 4.27Å; P190-W363 HydrophobicContact CB-CG 4.19Å; P190-W363 HydrophobicContact CB-CH2 4.16Å; P190-W363 HydrophobicContact CB-CZ2 3.59Å; P190-W363 HydrophobicContact CB-CZ3 4.45Å; P190-W363 HydrophobicContact CG-CD2 4.47Å; P190-W363 HydrophobicContact CG-CZ2 3.62Å; R361-W363 HydrophobicContact CB-CE3 4.1Å; R361-W363 HydrophobicContact CB-CH2 3.38Å; R361-W363 HydrophobicContact CB-CZ2 4.3Å; R361-W363 HydrophobicContact CB-CZ3 3.24Å; R361-W363 HydrophobicContact CG-CH2 4.16Å; R361-W363 HydrophobicContact CG-CZ3 4.43Å; R361-W363 WeakPolarHBondContact O-CZ3 3.41Å; W363-L365 HydrophobicContact CB-CD2 4.23Å; W363-L365 HydrophobicContact CB-CG 4.42Å; W363-L371 HydrophobicContact CB-CB 4.35Å; W363-L371 PolarHBondContact N-O 3.32Å; W363-L371 PolarHBondContact O-N 3.15Å; W363-V373 HydrophobicContact CE3-CB 4.44Å; W363-V373 HydrophobicContact CE3-CG2 3.8Å; W363-V373 HydrophobicContact CH2-CB 4.34Å; W363-V373 HydrophobicContact CH2-CG2 4.35Å; W363-V373 HydrophobicContact CZ3-CB 3.64Å; W363-V373 HydrophobicContact CZ3-CG2 3.46Å; W363-V373 VanDerWaalsContact CZ3-CG2 3.46Å; W363-L441 HydrophobicContact CH2-CD2 4.26Å; W363-L441 WeakPolarHBondContact CH2-O 3.13Å; W363-L441 HydrophobicContact CZ2-CD2 4.09Å; W363-L441 WeakPolarHBondContact CZ2-O 3.46Å; W363-W488 HydrophobicContact CD2-CH2 4.24Å; W363-W488 HydrophobicContact CG-CH2 4.11Å; W363-W488 AromaticContact NE1-CZ2 3.94Å
364	K	93.8	Very high	94.4	Very high	136 Å²	136	29.6 Å²	29.6	59%	0.591	15%	0.147	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.3	168.6	-168.4	165.2	-174.7	169.9	0	108.9	S188	S188-K364 PolarHBondContact OG-N 2.99Å; S188-K364 PolarHBondContact OG-O 3.29Å
365	L	91.1	Very high	94.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.145	C	C	.	.			trans	-109	27	-174.8	-60.6	-178.6	0	0	0	112.9	Y184 V187 W363 I369 L371 W488 R492 I495	Y184-L365 HydrophobicContact CE1-CB 4.48Å; Y184-L365 HydrophobicContact CE1-CD2 4.18Å; Y184-L365 PolarHBondContact OH-O 2.8Å; V187-L365 HydrophobicContact CG1-CD2 4.02Å; V187-L365 HydrophobicContact CG2-CD2 4.16Å; W363-L365 HydrophobicContact CB-CD2 4.23Å; W363-L365 HydrophobicContact CB-CG 4.42Å; L365-I369 HydrophobicContact CB-CB 4.25Å; L365-I369 HydrophobicContact CB-CG2 4.06Å; L365-I369 HydrophobicContact CD1-CG2 4.3Å; L365-I369 PolarHBondContact N-O 3.09Å; L365-L371 HydrophobicContact CD1-CB 3.98Å; L365-L371 HydrophobicContact CD1-CD2 3.87Å; L365-L371 HydrophobicContact CG-CB 4.4Å; L365-W488 HydrophobicContact CD1-CE3 4.37Å; L365-W488 HydrophobicContact CD1-CZ3 4.07Å; L365-W488 HydrophobicContact CD2-CE3 3.98Å; L365-W488 HydrophobicContact CD2-CZ3 3.86Å; L365-R492 PolarHBondContact O-NH1 3.47Å; L365-I495 HydrophobicContact CD1-CD1 4.31Å
366	G	85.1	Confident	94.7	Very high	23 Å²	23	31.2 Å²	31.2	24%	0.237	15%	0.154	C	C	.	.	S	Bend	trans	67.6	172.9	-177.5	0	0	0	0	0	113.8	D368 I369	G366-D368 PolarHBondContact O-N 3.47Å; G366-D368 VanDerWaalsContact O-N 3.12Å; G366-I369 WeakPolarHBondContact O-CB 3.16Å; G366-I369 PolarHBondContact O-N 3.33Å
367	D	80.4	Confident	94.8	Very high	128 Å²	128	30.6 Å²	30.6	68%	0.684	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	42.9	178.3	-55.4	-39.3	0	0	0	114.6	I369 R492	D367-I369 PolarHBondContact O-N 2.83Å; D367-I369 VanDerWaalsContact O-N 3.13Å; D367-R492 IonicContact OD2-CZ 2.68Å; D367-R492 IonicContact OD2-NH1 3.57Å; D367-R492 PolarHBondContact OD2-NH1 2.74Å; D367-R492 IonicContact OD2-NH2 3.82Å; D367-R492 PolarHBondContact OD2-NH2 3.17Å
368	D	88.3	Confident	94.8	Very high	140 Å²	140	31.2 Å²	31.2	75%	0.749	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	17.1	-176.8	-61.4	-33.4	0	0	0	115.6	N244 G366	N244-D368 PolarHBondContact ND2-O 3.22Å; G366-D368 PolarHBondContact O-N 3.47Å; G366-D368 VanDerWaalsContact O-N 3.12Å
369	I	94.3	Very high	94.8	Very high	9 Å²	9	31 Å²	31	5%	0.046	15%	0.153	C	C	.	.			trans	-83.9	121.5	173	-61	167.3	0	0	0	110.2	V245 L365 G366 D367 R492 I495 D496	V245-I369 HydrophobicContact CG2-CG2 4.02Å; L365-I369 HydrophobicContact CB-CB 4.25Å; L365-I369 HydrophobicContact CB-CG2 4.06Å; L365-I369 HydrophobicContact CD1-CG2 4.3Å; L365-I369 PolarHBondContact N-O 3.09Å; G366-I369 WeakPolarHBondContact O-CB 3.16Å; G366-I369 PolarHBondContact O-N 3.33Å; D367-I369 PolarHBondContact O-N 2.83Å; D367-I369 VanDerWaalsContact O-N 3.13Å; I369-R492 VanDerWaalsContact CD1-NE 3.3Å; I369-I495 HydrophobicContact CD1-CG2 3.86Å; I369-I495 HydrophobicContact CG1-CG2 4.38Å; I369-I495 HydrophobicContact CG2-CG2 4.1Å; I369-D496 WeakPolarHBondContact CD1-OD1 3.38Å
370	D	95.5	Very high	94.7	Very high	20 Å²	20	29.9 Å²	29.9	11%	0.107	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	98.1	-178.3	-170.1	13.9	0	0	0	109.5	G243 N244 V245 R362	G243-D370 PolarHBondContact N-OD2 3.22Å; N244-D370 PolarHBondContact N-O 3.42Å; N244-D370 PolarHBondContact OD1-N 3.15Å; N244-D370 PolarHBondContact OD1-O 3.27Å; N244-D370 VanDerWaalsContact OD1-O 3.07Å; V245-D370 PolarHBondContact N-O 3.19Å; V245-D370 VanDerWaalsContact N-O 3.12Å; R362-D370 WeakPolarHBondContact CD-OD1 3.48Å; R362-D370 WeakPolarHBondContact CG-OD1 3.13Å; R362-D370 IonicContact CZ-OD1 2.83Å; R362-D370 IonicContact CZ-OD2 3.31Å; R362-D370 IonicContact NE-OD1 3.73Å; R362-D370 PolarHBondContact NE-OD1 3.18Å; R362-D370 IonicContact NE-OD2 2.87Å; R362-D370 PolarHBondContact NE-OD2 2.79Å; R362-D370 IonicContact NH2-OD1 3.68Å; R362-D370 IonicContact NH2-OD2 3.38Å; R362-D370 PolarHBondContact NH2-OD2 3.15Å
371	L	97.3	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.5	-173.2	174.5	67.6	0	0	0	110.3	V245 L252 R362 W363 L365 V373 W488 L491	V245-L371 HydrophobicContact CB-CD1 3.87Å; V245-L371 HydrophobicContact CG1-CD1 3.52Å; L252-L371 HydrophobicContact CD1-CD1 4.23Å; L252-L371 HydrophobicContact CD1-CD2 3.99Å; R362-L371 CarbonylContact C-O 3.58Å; R362-L371 WeakPolarHBondContact CA-O 3.32Å; W363-L371 HydrophobicContact CB-CB 4.35Å; W363-L371 PolarHBondContact N-O 3.32Å; W363-L371 PolarHBondContact O-N 3.15Å; L365-L371 HydrophobicContact CD1-CB 3.98Å; L365-L371 HydrophobicContact CD1-CD2 3.87Å; L365-L371 HydrophobicContact CG-CB 4.4Å; L371-V373 HydrophobicContact CD1-CG2 4.02Å; L371-V373 HydrophobicContact CD2-CG2 3.82Å; L371-V373 HydrophobicContact CG-CG2 3.64Å; L371-W488 HydrophobicContact CD2-CH2 4.18Å; L371-W488 HydrophobicContact CD2-CZ3 3.78Å; L371-L491 HydrophobicContact CD2-CD2 4.07Å
372	I	97.8	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.7	171.6	-65.9	-178.4	0	0	0	109	I193 L238 Q242 V245 F246 A247 R361 R362	I193-I372 HydrophobicContact CD1-CD1 3.87Å; I193-I372 HydrophobicContact CD1-CG1 4.15Å; I193-I372 HydrophobicContact CD1-CG2 4.47Å; L238-I372 HydrophobicContact CB-CD1 4.47Å; L238-I372 HydrophobicContact CD1-CG2 4.06Å; Q242-I372 HydrophobicContact CG-CD1 4.03Å; Q242-I372 WeakPolarHBondContact O-CD1 3.47Å; V245-I372 PolarHBondContact O-N 3.44Å; F246-I372 WeakPolarHBondContact CA-O 3.34Å; F246-I372 HydrophobicContact CD1-CB 3.85Å; F246-I372 HydrophobicContact CD1-CD1 4.47Å; F246-I372 HydrophobicContact CD1-CG2 4.15Å; F246-I372 HydrophobicContact CE1-CB 4.05Å; F246-I372 HydrophobicContact CE1-CD1 3.79Å; F246-I372 HydrophobicContact CE1-CG1 4.33Å; F246-I372 HydrophobicContact CE1-CG2 4.44Å; A247-I372 PolarHBondContact N-O 3.46Å; R361-I372 WeakPolarHBondContact O-CA 3.28Å; R362-I372 HydrophobicContact CG-CG1 4.32Å
373	V	98.1	Very high	93.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.2	-178.5	-164.7	0	0	0	0	110.3	A247 D249 L252 R361 W363 L371 C375	A247-V373 VanDerWaalsContact O-CA 3.3Å; A247-V373 WeakPolarHBondContact O-CA 3.38Å; D249-V373 HydrophobicContact CB-CG1 4.28Å; L252-V373 HydrophobicContact CD1-CB 4.14Å; L252-V373 HydrophobicContact CD1-CG1 3.67Å; L252-V373 HydrophobicContact CD1-CG2 3.32Å; L252-V373 HydrophobicContact CG-CG1 4.39Å; R361-V373 PolarHBondContact N-O 2.92Å; R361-V373 PolarHBondContact O-N 3.29Å; W363-V373 HydrophobicContact CE3-CB 4.44Å; W363-V373 HydrophobicContact CE3-CG2 3.8Å; W363-V373 HydrophobicContact CH2-CB 4.34Å; W363-V373 HydrophobicContact CH2-CG2 4.35Å; W363-V373 HydrophobicContact CZ3-CB 3.64Å; W363-V373 HydrophobicContact CZ3-CG2 3.46Å; W363-V373 VanDerWaalsContact CZ3-CG2 3.46Å; L371-V373 HydrophobicContact CD1-CG2 4.02Å; L371-V373 HydrophobicContact CD2-CG2 3.82Å; L371-V373 HydrophobicContact CG-CG2 3.64Å; V373-C375 PolarHBondContact O-N 3.48Å
374	R	98.1	Very high	92.8	Very high	5 Å²	5	34 Å²	34	2%	0.019	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	112.2	163.4	-174.1	-178.3	87.1	-151.8	0.6	109.3	V227 T228 D232 I235 A247 D249 Y358 Y360 E376	V227-R374 PolarHBondContact O-NH1 3.05Å; V227-R374 PolarHBondContact O-NH2 2.92Å; T228-R374 PolarHBondContact O-NH1 3.15Å; D232-R374 WeakPolarHBondContact OD2-CD 3.27Å; D232-R374 IonicContact OD2-CZ 2.7Å; D232-R374 IonicContact OD2-NE 3.44Å; D232-R374 IonicContact OD2-NH1 2.98Å; D232-R374 PolarHBondContact OD2-NH1 3.08Å; I235-R374 HydrophobicContact CD1-CB 4.29Å; A247-R374 PolarHBondContact O-N 3.18Å; A247-R374 VanDerWaalsContact O-N 3.09Å; D249-R374 WeakPolarHBondContact CB-O 3.33Å; D249-R374 PolarHBondContact N-O 3.42Å; Y358-R374 HydrophobicContact CD1-CG 3.99Å; Y360-R374 HydrophobicContact CD1-CB 4.02Å; Y360-R374 HydrophobicContact CD1-CG 4.24Å; Y360-R374 HydrophobicContact CE1-CB 3.72Å; Y360-R374 HydrophobicContact CE1-CG 3.64Å; R374-E376 IonicContact NH2-OE1 2.83Å
375	C	97.7	Very high	92.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.5	179.1	-54.9	0	0	0	0	111.4	Y358 R359 V373 A442	Y358-C375 CarbonylContact C-O 3.55Å; Y358-C375 WeakPolarHBondContact CA-O 3.29Å; R359-C375 PolarHBondContact N-O 3.25Å; R359-C375 PolarHBondContact O-N 3.45Å; V373-C375 PolarHBondContact O-N 3.48Å; C375-A442 HydrophobicContact CB-CB 3.84Å
376	E	96.9	Very high	92	Very high	39 Å²	39	35.1 Å²	35.1	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.3	-175.6	-62.5	-179.3	-178.9	0	0	114.1	D249 V356 A357 Y358 R374 N392 A442	D249-E376 PolarHBondContact OD2-N 3Å; D249-E376 VanDerWaalsContact OD2-N 3.15Å; V356-E376 HydrophobicContact CG2-CB 4.46Å; V356-E376 HydrophobicContact CG2-CG 4.49Å; A357-E376 WeakPolarHBondContact O-CA 3.31Å; Y358-E376 HydrophobicContact CD1-CG 3.84Å; Y358-E376 HydrophobicContact CE1-CG 3.91Å; Y358-E376 WeakPolarHBondContact CE1-OE1 3.38Å; R374-E376 IonicContact NH2-OE1 2.83Å; E376-N392 PolarHBondContact O-ND2 3.43Å; E376-A442 WeakPolarHBondContact O-CB 3.21Å
377	H	97.6	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.6	163.5	-62.5	-66.4	0	0	0	110	L199 V356 A357 R359 A442 S444	L199-H377 HydrophobicContact CD1-CB 4.02Å; L199-H377 HydrophobicContact CD2-CB 4.32Å; L199-H377 VanDerWaalsContact CD2-O 3.27Å; L199-H377 WeakPolarHBondContact CD2-O 3.45Å; V356-H377 WeakPolarHBondContact CA-O 3.18Å; A357-H377 PolarHBondContact N-O 3.25Å; A357-H377 PolarHBondContact O-N 2.9Å; R359-H377 PolarHBondContact NE-NE2 2.99Å; R359-H377 PolarHBondContact NH2-NE2 3.17Å; H377-A442 PolarHBondContact CE1-O 2.72Å; H377-A442 PolarHBondContact NE2-O 3.22Å; H377-S444 PolarHBondContact CE1-OG 3.1Å; H377-S444 VanDerWaalsContact CE1-OG 3.27Å; H377-S444 PolarHBondContact ND1-OG 2.72Å
378	D	97.1	Very high	92.8	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.064	23%	0.229	C	C	.	.			trans	-98.3	-25.3	-175.7	-65.1	-51.9	0	0	0	112.4	L328 S355 I391 N392 I393 K394	L328-D378 WeakPolarHBondContact CD1-O 3.17Å; S355-D378 VanDerWaalsContact O-O 3.06Å; S355-D378 PolarHBondContact OG-O 3.44Å; D378-I391 PolarHBondContact N-O 3.32Å; D378-I391 VanDerWaalsContact N-O 3.08Å; D378-N392 PolarHBondContact OD2-OD1 2.98Å; D378-N392 VanDerWaalsContact OD2-OD1 3.06Å; D378-I393 HydrophobicContact CB-CB 3.96Å; D378-I393 HydrophobicContact CB-CD1 4.11Å; D378-I393 HydrophobicContact CB-CG1 3.93Å; D378-I393 PolarHBondContact OD2-N 2.67Å; D378-K394 IonicContact OD2-NZ 3.94Å; D378-K394 PolarHBondContact OD2-NZ 2.88Å
379	G	96.5	Very high	93.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-175.1	-179.3	0	0	0	0	0	113.7	I391	G379-I391 PolarHBondContact N-O 2.97Å; G379-I391 VanDerWaalsContact O-CG1 3.26Å; G379-I391 WeakPolarHBondContact O-CG1 3.41Å; G379-I391 PolarHBondContact O-N 3.22Å
380	V	96.8	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.6	-178.2	71.6	0	0	0	0	112	L199 E200 Y201 Y202 V388 F390	L199-V380 HydrophobicContact CB-CB 4.23Å; L199-V380 HydrophobicContact CB-CG1 4.2Å; L199-V380 HydrophobicContact CD1-CB 4.38Å; E200-V380 PolarHBondContact O-N 3.11Å; Y201-V380 CarbonylContact C-O 3.47Å; Y201-V380 WeakPolarHBondContact CA-O 3.46Å; Y201-V380 HydrophobicContact CD1-CG1 3.68Å; Y201-V380 HydrophobicContact CD2-CG1 4.18Å; Y201-V380 HydrophobicContact CE1-CG1 3.81Å; Y201-V380 HydrophobicContact CE2-CG1 4.3Å; Y201-V380 HydrophobicContact CG-CG1 3.87Å; Y202-V380 PolarHBondContact N-O 2.98Å; V380-V388 HydrophobicContact CB-CG1 4.48Å; V380-V388 HydrophobicContact CG2-CB 4.39Å; V380-V388 HydrophobicContact CG2-CG1 3.04Å; V380-F390 HydrophobicContact CG2-CD1 4.37Å
381	M	93.9	Very high	93.3	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.054	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.2	172.6	66.1	171.1	21.8	0	0	112.1	Y202 S389 I391 Y446	Y202-M381 HydrophobicContact CD1-CE 3.53Å; Y202-M381 HydrophobicContact CE1-CE 4.06Å; Y202-M381 HydrophobicContact CG-CE 4.19Å; M381-S389 PolarHBondContact N-O 3.01Å; M381-S389 PolarHBondContact O-N 3.22Å; M381-I391 HydrophobicContact CG-CG2 3.85Å; M381-I391 HydrophobicContact SD-CG2 4.16Å; M381-Y446 HydrophobicContact CG-CD2 4.31Å; M381-Y446 HydrophobicContact SD-CD2 3.55Å; M381-Y446 VanDerWaalsContact SD-CD2 3.55Å; M381-Y446 HydrophobicContact SD-CE2 3.78Å
382	T	90.3	Very high	93.3	Very high	56 Å²	56	30.4 Å²	30.4	34%	0.344	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.4	172.7	-42.8	0	0	0	0	109.6	K204 E387	K204-T382 WeakPolarHBondContact CE-O 3.38Å; K204-T382 PolarHBondContact NZ-O 3.16Å; T382-E387 CarbonylContact C-O 3.57Å; T382-E387 WeakPolarHBondContact CA-O 3.4Å
383	G	82.8	Confident	93.4	Very high	18 Å²	18	30.5 Å²	30.5	19%	0.186	20%	0.196	C	C	.	.			trans	-64.3	174.4	172	0	0	0	0	0	112.6	T385 G386 E387	G383-T385 PolarHBondContact O-N 3.44Å; G383-G386 PolarHBondContact O-N 2.89Å; G383-E387 PolarHBondContact N-O 2.81Å
384	A	80.6	Confident	93.4	Very high	115 Å²	115	31.7 Å²	31.7	95%	0.95	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-28	179.4	0	0	0	0	0	112.6	G386	A384-G386 VanDerWaalsContact C-N 3.33Å
385	T	82.6	Confident	93.4	Very high	113 Å²	113	31.5 Å²	31.5	69%	0.693	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.6	179.5	49.9	0	0	0	0	113.4	G383 E387	G383-T385 PolarHBondContact O-N 3.44Å; T385-E387 VanDerWaalsContact C-N 3.33Å; T385-E387 WeakPolarHBondContact OG1-CG 3.37Å; T385-E387 PolarHBondContact OG1-OE1 3.41Å
386	G	83.7	Confident	93.4	Very high	49 Å²	49	31.7 Å²	31.7	51%	0.505	20%	0.202	S	C	.	.	S	Bend	trans	87.8	-3.6	-173.7	0	0	0	0	0	114.3	G383 A384	G383-G386 PolarHBondContact O-N 2.89Å; A384-G386 VanDerWaalsContact C-N 3.33Å
387	E	90.7	Very high	93.4	Very high	120 Å²	120	30 Å²	30	56%	0.561	20%	0.195	S	C	*	.			trans	-67.7	152.6	175.9	74.8	-167	160.6	0	0	112.1	T382 G383 T385	T382-E387 CarbonylContact C-O 3.57Å; T382-E387 WeakPolarHBondContact CA-O 3.4Å; G383-E387 PolarHBondContact N-O 2.81Å; T385-E387 VanDerWaalsContact C-N 3.33Å; T385-E387 WeakPolarHBondContact OG1-CG 3.37Å; T385-E387 PolarHBondContact OG1-OE1 3.41Å
388	V	92.4	Very high	93.3	Very high	58 Å²	58	30.8 Å²	30.8	35%	0.352	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.3	-176.9	179.3	0	0	0	0	108	Y335 V380	Y335-V388 HydrophobicContact CD2-CG1 4.06Å; Y335-V388 HydrophobicContact CE2-CG1 4.04Å; V380-V388 HydrophobicContact CB-CG1 4.48Å; V380-V388 HydrophobicContact CG2-CB 4.39Å; V380-V388 HydrophobicContact CG2-CG1 3.04Å
389	S	94.9	Very high	93.2	Very high	7 Å²	7	31.1 Å²	31.1	5%	0.049	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.6	179.6	-50.6	0	0	0	0	110.3	M381	M381-S389 PolarHBondContact N-O 3.01Å; M381-S389 PolarHBondContact O-N 3.22Å
390	F	96.8	Very high	93	Very high	35 Å²	35	31.5 Å²	31.5	15%	0.154	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	138.8	174.7	-59.5	-66.9	0	0	0	111.1	L199 Y335 F337 R359 V380 E445 Y446	L199-F390 HydrophobicContact CD1-CD1 3.67Å; L199-F390 HydrophobicContact CD1-CE1 4.01Å; Y335-F390 HydrophobicContact CD1-CE1 4.1Å; Y335-F390 AromaticContact CE1-CE1 3.7Å; Y335-F390 HydrophobicContact CE1-CE1 3.7Å; Y335-F390 AromaticContact CE1-CZ 3.92Å; Y335-F390 HydrophobicContact CE1-CZ 3.92Å; F337-F390 HydrophobicContact CE1-CE1 4.26Å; F337-F390 HydrophobicContact CE1-CZ 4.05Å; F337-F390 HydrophobicContact CE2-CE1 4.13Å; F337-F390 HydrophobicContact CZ-CD1 4.27Å; F337-F390 AromaticContact CZ-CE1 3.48Å; F337-F390 HydrophobicContact CZ-CE1 3.48Å; F337-F390 VanDerWaalsContact CZ-CE1 3.48Å; F337-F390 AromaticContact CZ-CZ 3.68Å; F337-F390 HydrophobicContact CZ-CZ 3.68Å; R359-F390 VanDerWaalsContact NH2-CE2 3.27Å; V380-F390 HydrophobicContact CG2-CD1 4.37Å; F390-E445 PolarHBondContact O-N 3.02Å; F390-E445 VanDerWaalsContact O-N 3.1Å; F390-Y446 PolarHBondContact O-N 2.95Å
391	I	97.1	Very high	92.8	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.5	-177	65.9	168	0	0	0	111.9	Y202 D378 G379 M381 I393 Y446 K448	Y202-I391 HydrophobicContact CD2-CD1 3.81Å; Y202-I391 HydrophobicContact CG-CD1 3.85Å; D378-I391 PolarHBondContact N-O 3.32Å; D378-I391 VanDerWaalsContact N-O 3.08Å; G379-I391 PolarHBondContact N-O 2.97Å; G379-I391 VanDerWaalsContact O-CG1 3.26Å; G379-I391 WeakPolarHBondContact O-CG1 3.41Å; G379-I391 PolarHBondContact O-N 3.22Å; M381-I391 HydrophobicContact CG-CG2 3.85Å; M381-I391 HydrophobicContact SD-CG2 4.16Å; I391-I393 HydrophobicContact CD1-CD1 3.76Å; I391-I393 HydrophobicContact CD1-CG1 3.86Å; I391-I393 HydrophobicContact CG1-CD1 4.27Å; I391-I393 HydrophobicContact CG1-CG1 4.14Å; I391-Y446 VanDerWaalsContact CA-O 3.3Å; I391-Y446 WeakPolarHBondContact CA-O 3.48Å; I391-Y446 HydrophobicContact CG2-CD2 4.13Å; I391-K448 HydrophobicContact CD1-CG 4.29Å
392	N	98	Very high	92.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.7	168.8	-148.3	-67.2	0	0	0	107.9	E376 D378 K394 A439 Y446 L447 K448	E376-N392 PolarHBondContact O-ND2 3.43Å; D378-N392 PolarHBondContact OD2-OD1 2.98Å; D378-N392 VanDerWaalsContact OD2-OD1 3.06Å; N392-K394 WeakPolarHBondContact OD1-CE 3.34Å; N392-K394 PolarHBondContact OD1-NZ 3.39Å; N392-K394 VanDerWaalsContact OD1-NZ 3.15Å; N392-A439 HydrophobicContact CB-CB 4.22Å; N392-Y446 PolarHBondContact N-O 2.82Å; N392-L447 HydrophobicContact CB-CD1 4.18Å; N392-K448 PolarHBondContact O-N 2.81Å
393	I	98.3	Very high	92.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111.8	-169.9	-55.2	173.6	0	0	0	108.6	Y202 F323 L328 D378 I391 K448	Y202-I393 HydrophobicContact CD2-CD1 4.43Å; F323-I393 HydrophobicContact CD1-CG2 3.96Å; F323-I393 HydrophobicContact CE1-CG2 3.77Å; L328-I393 HydrophobicContact CD2-CD1 3.68Å; L328-I393 HydrophobicContact CG-CD1 4.34Å; D378-I393 HydrophobicContact CB-CB 3.96Å; D378-I393 HydrophobicContact CB-CD1 4.11Å; D378-I393 HydrophobicContact CB-CG1 3.93Å; D378-I393 PolarHBondContact OD2-N 2.67Å; I391-I393 HydrophobicContact CD1-CD1 3.76Å; I391-I393 HydrophobicContact CD1-CG1 3.86Å; I391-I393 HydrophobicContact CG1-CD1 4.27Å; I391-I393 HydrophobicContact CG1-CG1 4.14Å; I393-K448 HydrophobicContact CG1-CB 4.37Å
394	K	98.1	Very high	92.8	Very high	25 Å²	25	42.2 Å²	42.2	11%	0.109	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	160	178.9	-57.5	-63.3	-178.6	-135.8	0	110.8	N320 D378 N392 W435 L447 K448 L449 G450	N320-K394 WeakPolarHBondContact OD1-CA 3.47Å; D378-K394 IonicContact OD2-NZ 3.94Å; D378-K394 PolarHBondContact OD2-NZ 2.88Å; N392-K394 WeakPolarHBondContact OD1-CE 3.34Å; N392-K394 PolarHBondContact OD1-NZ 3.39Å; N392-K394 VanDerWaalsContact OD1-NZ 3.15Å; K394-W435 HydrophobicContact CB-CD2 3.62Å; K394-W435 HydrophobicContact CB-CE3 3.58Å; K394-W435 HydrophobicContact CB-CG 4.11Å; K394-W435 HydrophobicContact CB-CH2 4.29Å; K394-W435 HydrophobicContact CB-CZ2 4.28Å; K394-W435 HydrophobicContact CB-CZ3 3.94Å; K394-W435 HydrophobicContact CD-CD2 4.23Å; K394-W435 HydrophobicContact CD-CG 4.06Å; K394-W435 HydrophobicContact CG-CB 4.03Å; K394-W435 HydrophobicContact CG-CD2 3.74Å; K394-W435 HydrophobicContact CG-CE3 4.17Å; K394-W435 HydrophobicContact CG-CG 3.67Å; K394-L447 HydrophobicContact CG-CD1 4.2Å; K394-K448 PolarHBondContact N-O 2.89Å; K394-L449 HydrophobicContact CB-CD2 3.96Å; K394-L449 CarbonylContact O-C 3.6Å; K394-L449 VanDerWaalsContact O-CA 3.29Å; K394-L449 WeakPolarHBondContact O-CA 3.34Å; K394-G450 PolarHBondContact O-N 3.32Å
395	T	98.3	Very high	93.2	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.9	-169.6	-44.2	0	0	0	0	111.8	I319 N320 F323 W435 V452	I319-T395 HydrophobicContact CG2-CG2 3.64Å; N320-T395 WeakPolarHBondContact OD1-CB 3.14Å; N320-T395 PolarHBondContact OD1-N 3.41Å; N320-T395 PolarHBondContact OD1-OG1 2.92Å; F323-T395 HydrophobicContact CB-CG2 3.94Å; F323-T395 WeakPolarHBondContact CB-OG1 3.11Å; F323-T395 HydrophobicContact CD1-CG2 4.11Å; F323-T395 WeakPolarHBondContact CD1-OG1 3.35Å; F323-T395 HydrophobicContact CG-CG2 3.97Å; T395-W435 WeakPolarHBondContact O-CH2 3.43Å; T395-V452 HydrophobicContact CG2-CB 3.99Å; T395-V452 HydrophobicContact CG2-CG2 3.46Å; T395-V452 VanDerWaalsContact CG2-CG2 3.46Å
396	L	97.9	Very high	93.5	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.7	166.6	-70.5	170.5	0	0	0	109.4	W409 E424 L432 W435 L449 G450 Y451 V452	L396-W409 HydrophobicContact CB-CH2 3.69Å; L396-W409 HydrophobicContact CB-CZ2 4.41Å; L396-E424 HydrophobicContact CD1-CB 4.23Å; L396-E424 HydrophobicContact CD1-CG 4.21Å; L396-E424 HydrophobicContact CD2-CB 4.46Å; L396-L432 HydrophobicContact CD1-CD2 4.47Å; L396-L432 HydrophobicContact CD2-CD2 3.98Å; L396-L432 HydrophobicContact CD2-CG 4.5Å; L396-W435 HydrophobicContact CD2-CH2 4.29Å; L396-W435 HydrophobicContact CD2-CZ3 3.9Å; L396-W435 HydrophobicContact CG-CZ3 4.23Å; L396-L449 HydrophobicContact CD1-CD1 4.25Å; L396-G450 PolarHBondContact N-O 2.91Å; L396-Y451 HydrophobicContact CB-CD1 4.41Å; L396-Y451 HydrophobicContact CD1-CD1 4.38Å; L396-Y451 HydrophobicContact CD1-CE1 3.87Å; L396-V452 PolarHBondContact O-N 3.32Å
397	N	96.9	Very high	94	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.2	-178.3	65.7	-57.5	0	0	0	112.2	I319 K431 V452	I319-N397 HydrophobicContact CD1-CB 3.84Å; N397-K431 PolarHBondContact OD1-NZ 2.75Å; N397-V452 CarbonylContact C-O 3.59Å; N397-V452 VanDerWaalsContact CA-O 3.25Å; N397-V452 WeakPolarHBondContact CA-O 3.4Å
398	E	96.6	Very high	94.2	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.6	169.4	-175.2	-170.3	-134.2	0	0	109.5	S401 D408 W409 R410 V452 S453 R454	E398-S401 WeakPolarHBondContact OE1-CB 3.5Å; E398-D408 WeakPolarHBondContact OE1-CA 3.33Å; E398-W409 HydrophobicContact CB-CD2 3.69Å; E398-W409 HydrophobicContact CB-CE3 3.67Å; E398-W409 HydrophobicContact CB-CG 4.29Å; E398-W409 HydrophobicContact CB-CH2 3.93Å; E398-W409 HydrophobicContact CB-CZ2 3.96Å; E398-W409 HydrophobicContact CB-CZ3 3.79Å; E398-W409 HydrophobicContact CG-CD2 4.24Å; E398-W409 HydrophobicContact CG-CG 4.35Å; E398-W409 PolarHBondContact OE1-N 2.76Å; E398-R410 IonicContact OE2-NH1 3.66Å; E398-V452 PolarHBondContact N-O 3.38Å; E398-S453 WeakPolarHBondContact O-CA 3.49Å; E398-S453 VanDerWaalsContact OE2-CB 3.25Å; E398-S453 WeakPolarHBondContact OE2-CB 3.39Å; E398-S453 PolarHBondContact OE2-OG 3.04Å; E398-R454 PolarHBondContact O-N 2.88Å
399	W	93.6	Very high	94.4	Very high	20 Å²	20	31.2 Å²	31.2	8%	0.076	16%	0.157	C	C	.	.	S	Bend	trans	-98.4	-72.9	176.9	61.2	-78.5	0	0	0	110.5	S292 P299 N307 L312 H403	S292-W399 PolarHBondContact OG-NE1 2.85Å; P299-W399 HydrophobicContact CG-CZ2 4.17Å; N307-W399 HydrophobicContact CB-CE3 4.38Å; N307-W399 HydrophobicContact CB-CZ3 4.11Å; L312-W399 HydrophobicContact CD1-CD2 4.29Å; L312-W399 HydrophobicContact CD1-CE3 4.48Å; L312-W399 HydrophobicContact CD2-CB 3.95Å; L312-W399 HydrophobicContact CD2-CD2 4.14Å; L312-W399 HydrophobicContact CD2-CE3 4.31Å; L312-W399 HydrophobicContact CD2-CG 3.99Å; W399-H403 HydrophobicContact CH2-CB 3.4Å; W399-H403 AromaticContact CH2-CG 3.75Å; W399-H403 HydrophobicContact CZ2-CB 3.79Å; W399-H403 HydrophobicContact CZ3-CB 4.21Å
400	D	92.9	Very high	94.4	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.043	17%	0.167	C	C	.	.			trans	-133.9	104.2	174.9	-169.8	-13.7	0	0	0	110.8	R402 H403 V457	D400-R402 PolarHBondContact O-N 3.04Å; D400-R402 VanDerWaalsContact O-N 3.09Å; D400-R402 WeakPolarHBondContact OD1-CB 3.49Å; D400-R402 IonicContact OD1-CZ 3.04Å; D400-R402 PolarHBondContact OD1-N 3.35Å; D400-R402 VanDerWaalsContact OD1-N 3.07Å; D400-R402 IonicContact OD1-NE 2.88Å; D400-R402 PolarHBondContact OD1-NE 2.87Å; D400-R402 IonicContact OD1-NH2 3.7Å; D400-R402 PolarHBondContact OD1-NH2 3.31Å; D400-R402 IonicContact OD2-CZ 2.65Å; D400-R402 IonicContact OD2-NE 3.49Å; D400-R402 PolarHBondContact OD2-NE 2.74Å; D400-R402 IonicContact OD2-NH2 3.57Å; D400-R402 PolarHBondContact OD2-NH2 2.74Å; D400-H403 VanDerWaalsContact CG-ND1 3.31Å; D400-H403 PolarHBondContact O-N 3.04Å; D400-H403 VanDerWaalsContact O-N 3.14Å; D400-H403 IonicContact OD1-ND1 3.24Å; D400-H403 IonicContact OD2-CE1 2.7Å; D400-H403 PolarHBondContact OD2-CE1 3.41Å; D400-H403 VanDerWaalsContact OD2-CE1 3.29Å; D400-H403 IonicContact OD2-ND1 3.47Å; D400-H403 PolarHBondContact OD2-ND1 2.79Å; D400-H403 VanDerWaalsContact OD2-ND1 3.09Å; D400-V457 HydrophobicContact CB-CG1 3.52Å; D400-V457 WeakPolarHBondContact OD2-CG1 3.28Å
401	S	91.6	Very high	94.3	Very high	30 Å²	30	39.1 Å²	39.1	21%	0.21	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.2	-178.2	54	0	0	0	0	114.5	E398 H403 G406	E398-S401 WeakPolarHBondContact OE1-CB 3.5Å; S401-H403 VanDerWaalsContact C-N 3.3Å; S401-G406 CarbonylContact O-C 3.45Å; S401-G406 VanDerWaalsContact O-C 3.28Å; S401-G406 VanDerWaalsContact O-CA 3.25Å; S401-G406 WeakPolarHBondContact O-CA 3.18Å; S401-G406 PolarHBondContact O-N 2.81Å
402	R	90.4	Very high	94.2	Very high	174 Å²	174	42.4 Å²	42.4	66%	0.657	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.5	176.9	-59.5	168.5	-64.7	176.5	7.3	112.6	D400	D400-R402 PolarHBondContact O-N 3.04Å; D400-R402 VanDerWaalsContact O-N 3.09Å; D400-R402 WeakPolarHBondContact OD1-CB 3.49Å; D400-R402 IonicContact OD1-CZ 3.04Å; D400-R402 PolarHBondContact OD1-N 3.35Å; D400-R402 VanDerWaalsContact OD1-N 3.07Å; D400-R402 IonicContact OD1-NE 2.88Å; D400-R402 PolarHBondContact OD1-NE 2.87Å; D400-R402 IonicContact OD1-NH2 3.7Å; D400-R402 PolarHBondContact OD1-NH2 3.31Å; D400-R402 IonicContact OD2-CZ 2.65Å; D400-R402 IonicContact OD2-NE 3.49Å; D400-R402 PolarHBondContact OD2-NE 2.74Å; D400-R402 IonicContact OD2-NH2 3.57Å; D400-R402 PolarHBondContact OD2-NH2 2.74Å
403	H	87.9	Confident	94	Very high	93 Å²	93	42.5 Å²	42.5	43%	0.431	21%	0.205	S	C	.	.	S	Bend	trans	-97.1	165.4	176.5	-65.9	90	0	0	0	110.7	W399 D400 S401 N405 G406	W399-H403 HydrophobicContact CH2-CB 3.4Å; W399-H403 AromaticContact CH2-CG 3.75Å; W399-H403 HydrophobicContact CZ2-CB 3.79Å; W399-H403 HydrophobicContact CZ3-CB 4.21Å; D400-H403 VanDerWaalsContact CG-ND1 3.31Å; D400-H403 PolarHBondContact O-N 3.04Å; D400-H403 VanDerWaalsContact O-N 3.14Å; D400-H403 IonicContact OD1-ND1 3.24Å; D400-H403 IonicContact OD2-CE1 2.7Å; D400-H403 PolarHBondContact OD2-CE1 3.41Å; D400-H403 VanDerWaalsContact OD2-CE1 3.29Å; D400-H403 IonicContact OD2-ND1 3.47Å; D400-H403 PolarHBondContact OD2-ND1 2.79Å; D400-H403 VanDerWaalsContact OD2-ND1 3.09Å; S401-H403 VanDerWaalsContact C-N 3.3Å; H403-N405 PolarHBondContact O-N 2.8Å; H403-G406 PolarHBondContact O-N 2.87Å
404	C	89	Confident	93.7	Very high	12 Å²	12	45.5 Å²	45.5	8%	0.081	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	25.4	174.8	-55	0	0	0	0	115.2	A295 E297 G406 N427	A295-C404 HydrophobicContact CB-CB 3.9Å; E297-C404 PolarHBondContact O-SG 2.97Å; C404-G406 PolarHBondContact O-N 2.86Å; C404-N427 PolarHBondContact O-ND2 3.46Å; C404-N427 PolarHBondContact O-OD1 2.97Å
405	N	89.6	Confident	93.5	Very high	114 Å²	114	48.4 Å²	48.4	61%	0.61	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.2	-170.6	-61	-63.2	0	0	0	113.1	H403	H403-N405 PolarHBondContact O-N 2.8Å
406	G	89.4	Confident	93.2	Very high	25 Å²	25	52.8 Å²	52.8	26%	0.258	27%	0.265	S	S	.	.			trans	-64	164.9	176.5	0	0	0	0	0	113.2	S401 H403 C404	S401-G406 CarbonylContact O-C 3.45Å; S401-G406 VanDerWaalsContact O-C 3.28Å; S401-G406 VanDerWaalsContact O-CA 3.25Å; S401-G406 WeakPolarHBondContact O-CA 3.18Å; S401-G406 PolarHBondContact O-N 2.81Å; H403-G406 PolarHBondContact O-N 2.87Å; C404-G406 PolarHBondContact O-N 2.86Å
407	V	93.6	Very high	92.9	Very high	38 Å²	38	57.8 Å²	57.8	23%	0.23	28%	0.284	C	S	.	.			trans	-116.8	139.2	171.3	-66.7	0	0	0	0	108.2	W409 V420 T423	V407-W409 PolarHBondContact O-N 2.76Å; V407-V420 HydrophobicContact CG2-CB 4.39Å; V407-V420 HydrophobicContact CG2-CG2 3.97Å; V407-T423 HydrophobicContact CG2-CG2 4.35Å
408	D	95	Very high	92.7	Very high	46 Å²	46	60 Å²	60	25%	0.246	31%	0.308	C	S	.	.			trans	-70	111.4	176.7	177.2	3.2	0	0	0	110.3	E398 R410 Q411 K412	E398-D408 WeakPolarHBondContact OE1-CA 3.33Å; D408-R410 VanDerWaalsContact C-N 3.3Å; D408-R410 PolarHBondContact O-N 2.57Å; D408-R410 PolarHBondContact OD1-N 3.37Å; D408-Q411 HydrophobicContact CB-CB 4.48Å; D408-Q411 HydrophobicContact CB-CG 4.46Å; D408-Q411 PolarHBondContact O-N 3.05Å; D408-Q411 VanDerWaalsContact OD2-CD 3.29Å; D408-Q411 WeakPolarHBondContact OD2-CG 3.4Å; D408-Q411 PolarHBondContact OD2-NE2 2.89Å; D408-K412 WeakPolarHBondContact O-CB 3.48Å; D408-K412 WeakPolarHBondContact O-CG 3.48Å; D408-K412 PolarHBondContact O-N 2.9Å
409	W	96.6	Very high	92.6	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-34.8	-176.5	-69.9	10.4	0	0	0	112.1	L396 E398 V407 Q411 K412 L413 V420 E424 Y451 V452 L466	L396-W409 HydrophobicContact CB-CH2 3.69Å; L396-W409 HydrophobicContact CB-CZ2 4.41Å; E398-W409 HydrophobicContact CB-CD2 3.69Å; E398-W409 HydrophobicContact CB-CE3 3.67Å; E398-W409 HydrophobicContact CB-CG 4.29Å; E398-W409 HydrophobicContact CB-CH2 3.93Å; E398-W409 HydrophobicContact CB-CZ2 3.96Å; E398-W409 HydrophobicContact CB-CZ3 3.79Å; E398-W409 HydrophobicContact CG-CD2 4.24Å; E398-W409 HydrophobicContact CG-CG 4.35Å; E398-W409 PolarHBondContact OE1-N 2.76Å; V407-W409 PolarHBondContact O-N 2.76Å; W409-Q411 PolarHBondContact O-N 3.44Å; W409-K412 PolarHBondContact O-N 3.38Å; W409-L413 HydrophobicContact CB-CB 4.43Å; W409-L413 WeakPolarHBondContact O-CB 3.07Å; W409-L413 PolarHBondContact O-N 2.87Å; W409-V420 HydrophobicContact CD2-CG1 4.25Å; W409-V420 HydrophobicContact CG-CG1 4.18Å; W409-V420 HydrophobicContact CZ2-CG1 4.45Å; W409-E424 HydrophobicContact CZ2-CG 3.88Å; W409-Y451 HydrophobicContact CD2-CD1 4.4Å; W409-Y451 HydrophobicContact CE3-CD1 4.02Å; W409-Y451 HydrophobicContact CE3-CG 4.39Å; W409-Y451 AromaticContact CH2-CD1 3.99Å; W409-Y451 HydrophobicContact CH2-CD1 3.99Å; W409-Y451 HydrophobicContact CZ2-CD1 4.35Å; W409-Y451 AromaticContact CZ3-CD1 3.81Å; W409-Y451 HydrophobicContact CZ3-CD1 3.81Å; W409-Y451 HydrophobicContact CZ3-CG 4.28Å; W409-V452 WeakPolarHBondContact CZ3-O 3.27Å; W409-L466 HydrophobicContact CB-CD1 3.65Å; W409-L466 HydrophobicContact CE3-CD1 4.27Å
410	R	95.2	Very high	92.6	Very high	72 Å²	72	60.2 Å²	60.2	27%	0.272	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-30.7	-179.4	-71.6	-177.3	175.6	80.3	-7.8	112.3	T211 E214 E398 D408 S453 R454 L466	T211-R410 PolarHBondContact OG1-O 3.04Å; T211-R410 VanDerWaalsContact OG1-O 3.12Å; E214-R410 IonicContact OE2-NE 2.75Å; E398-R410 IonicContact OE2-NH1 3.66Å; D408-R410 VanDerWaalsContact C-N 3.3Å; D408-R410 PolarHBondContact O-N 2.57Å; D408-R410 PolarHBondContact OD1-N 3.37Å; R410-S453 PolarHBondContact NH1-OG 3.38Å; R410-R454 PolarHBondContact NH1-O 3.21Å; R410-R454 PolarHBondContact NH2-O 3.42Å; R410-L466 HydrophobicContact CG-CD1 3.97Å; R410-L466 HydrophobicContact CG-CD2 4.03Å
411	Q	93.8	Very high	92.7	Very high	136 Å²	136	60.9 Å²	60.9	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-87.4	-35.3	177.3	-65.6	179.4	34.5	0	0	113.1	D408 W409 S415	D408-Q411 HydrophobicContact CB-CB 4.48Å; D408-Q411 HydrophobicContact CB-CG 4.46Å; D408-Q411 PolarHBondContact O-N 3.05Å; D408-Q411 VanDerWaalsContact OD2-CD 3.29Å; D408-Q411 WeakPolarHBondContact OD2-CG 3.4Å; D408-Q411 PolarHBondContact OD2-NE2 2.89Å; W409-Q411 PolarHBondContact O-N 3.44Å; Q411-S415 PolarHBondContact O-OG 3.41Å
412	K	94.8	Very high	92.8	Very high	69 Å²	69	62.3 Å²	62.3	30%	0.3	33%	0.333	S	S	.	.	H	α-helix	trans	-107.8	-21.5	-165.6	-62.4	-60.6	-174.4	173.4	0	114.9	D408 W409 D414 S415 Q416 V420	D408-K412 WeakPolarHBondContact O-CB 3.48Å; D408-K412 WeakPolarHBondContact O-CG 3.48Å; D408-K412 PolarHBondContact O-N 2.9Å; W409-K412 PolarHBondContact O-N 3.38Å; K412-D414 PolarHBondContact O-N 2.99Å; K412-S415 PolarHBondContact O-N 3.43Å; K412-Q416 CarbonylContact O-C 3.55Å; K412-Q416 VanDerWaalsContact O-C 3.25Å; K412-Q416 VanDerWaalsContact O-CA 3.3Å; K412-Q416 WeakPolarHBondContact O-CA 3.28Å; K412-Q416 PolarHBondContact O-N 2.83Å; K412-V420 HydrophobicContact CB-CG2 4.07Å
413	L	93.9	Very high	93.1	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-35.8	-174.1	-170.2	69	0	0	0	112.8	T211 W409 R417 V420 Y451 L466	T211-L413 HydrophobicContact CG2-CB 3.77Å; T211-L413 HydrophobicContact CG2-CD2 4.12Å; T211-L413 HydrophobicContact CG2-CG 4.44Å; W409-L413 HydrophobicContact CB-CB 4.43Å; W409-L413 WeakPolarHBondContact O-CB 3.07Å; W409-L413 PolarHBondContact O-N 2.87Å; L413-R417 WeakPolarHBondContact O-CG 3.46Å; L413-R417 PolarHBondContact O-NE 3.34Å; L413-V420 HydrophobicContact CD1-CB 4.31Å; L413-V420 HydrophobicContact CD1-CG1 4.11Å; L413-V420 HydrophobicContact CD1-CG2 4.23Å; L413-Y451 HydrophobicContact CD1-CD1 3.89Å; L413-Y451 HydrophobicContact CD1-CD2 3.9Å; L413-Y451 HydrophobicContact CD1-CE1 3.97Å; L413-Y451 HydrophobicContact CD1-CE2 3.96Å; L413-Y451 HydrophobicContact CD1-CG 3.85Å; L413-Y451 HydrophobicContact CD2-CD2 4.09Å; L413-Y451 HydrophobicContact CD2-CG 3.94Å; L413-L466 HydrophobicContact CD2-CB 3.73Å
414	D	92.4	Very high	93.4	Very high	64 Å²	64	51.3 Å²	51.3	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-30.3	178.9	-76	-14.9	0	0	0	113.1	T211 K412	T211-D414 PolarHBondContact N-OD2 3.15Å; T211-D414 PolarHBondContact OG1-OD2 2.84Å; T211-D414 VanDerWaalsContact OG1-OD2 3.08Å; K412-D414 PolarHBondContact O-N 2.99Å
415	S	93.1	Very high	93.7	Very high	86 Å²	86	52.4 Å²	52.4	60%	0.601	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-28.8	-173	60.5	0	0	0	0	114.4	Q411 K412	Q411-S415 PolarHBondContact O-OG 3.41Å; K412-S415 PolarHBondContact O-N 3.43Å
416	Q	93.3	Very high	94	Very high	94 Å²	94	51.5 Å²	51.5	44%	0.439	29%	0.287	S	S	.	.			trans	-141.7	51.6	-169.4	-61.7	-177.4	5.1	0	0	111.4	K412 G418 A419 V420	K412-Q416 CarbonylContact O-C 3.55Å; K412-Q416 VanDerWaalsContact O-C 3.25Å; K412-Q416 VanDerWaalsContact O-CA 3.3Å; K412-Q416 WeakPolarHBondContact O-CA 3.28Å; K412-Q416 PolarHBondContact O-N 2.83Å; Q416-G418 PolarHBondContact O-N 2.98Å; Q416-A419 HydrophobicContact CB-CB 4.05Å; Q416-A419 WeakPolarHBondContact O-CB 3.45Å; Q416-A419 PolarHBondContact O-N 2.85Å; Q416-V420 PolarHBondContact O-N 3.49Å
417	R	92	Very high	94.4	Very high	109 Å²	109	50.5 Å²	50.5	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-49.2	-43.6	178.6	-70.9	-175.3	-180	178.5	-2.4	113.6	L413 A419 V420 I421	L413-R417 WeakPolarHBondContact O-CG 3.46Å; L413-R417 PolarHBondContact O-NE 3.34Å; R417-A419 VanDerWaalsContact C-N 3.27Å; R417-A419 PolarHBondContact O-N 2.85Å; R417-V420 PolarHBondContact O-N 3.28Å; R417-I421 PolarHBondContact O-N 3Å
418	G	92.6	Very high	94.5	Very high	52 Å²	52	48.8 Å²	48.8	54%	0.536	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-33.9	178.7	0	0	0	0	0	113.5	Q416 A422	Q416-G418 PolarHBondContact O-N 2.98Å; G418-A422 VanDerWaalsContact O-CB 3.27Å; G418-A422 WeakPolarHBondContact O-CB 3.32Å; G418-A422 PolarHBondContact O-N 2.93Å
419	A	93.2	Very high	94.6	Very high	39 Å²	39	47.7 Å²	47.7	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-71.4	-36.9	177	0	0	0	0	0	111.9	Q416 R417 T423	Q416-A419 HydrophobicContact CB-CB 4.05Å; Q416-A419 WeakPolarHBondContact O-CB 3.45Å; Q416-A419 PolarHBondContact O-N 2.85Å; R417-A419 VanDerWaalsContact C-N 3.27Å; R417-A419 PolarHBondContact O-N 2.85Å; A419-T423 WeakPolarHBondContact O-CB 3.22Å; A419-T423 PolarHBondContact O-N 3.15Å; A419-T423 PolarHBondContact O-OG1 2.87Å
420	V	95.3	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-52.6	173.7	177.9	0	0	0	0	109.9	V407 W409 K412 L413 Q416 R417 A422 T423 E424 Y451	V407-V420 HydrophobicContact CG2-CB 4.39Å; V407-V420 HydrophobicContact CG2-CG2 3.97Å; W409-V420 HydrophobicContact CD2-CG1 4.25Å; W409-V420 HydrophobicContact CG-CG1 4.18Å; W409-V420 HydrophobicContact CZ2-CG1 4.45Å; K412-V420 HydrophobicContact CB-CG2 4.07Å; L413-V420 HydrophobicContact CD1-CB 4.31Å; L413-V420 HydrophobicContact CD1-CG1 4.11Å; L413-V420 HydrophobicContact CD1-CG2 4.23Å; Q416-V420 PolarHBondContact O-N 3.49Å; R417-V420 PolarHBondContact O-N 3.28Å; V420-A422 VanDerWaalsContact C-N 3.32Å; V420-A422 PolarHBondContact O-N 3.17Å; V420-T423 WeakPolarHBondContact O-CB 3.33Å; V420-T423 PolarHBondContact O-N 3.3Å; V420-T423 VanDerWaalsContact O-N 3.1Å; V420-E424 HydrophobicContact CG1-CG 4.43Å; V420-E424 WeakPolarHBondContact O-CG 3.25Å; V420-E424 PolarHBondContact O-N 3.33Å; V420-Y451 HydrophobicContact CG1-CD1 4.42Å; V420-Y451 HydrophobicContact CG1-CE1 4.05Å
421	I	94.1	Very high	94.8	Very high	22 Å²	22	44.6 Å²	44.6	11%	0.113	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-41.7	178.4	-66.9	158.3	0	0	0	111.7	R417 T423 E424 L425 Y451 F471	R417-I421 PolarHBondContact O-N 3Å; I421-T423 VanDerWaalsContact C-N 3.27Å; I421-T423 PolarHBondContact O-N 3.39Å; I421-E424 PolarHBondContact O-N 2.97Å; I421-L425 VanDerWaalsContact O-CB 3.24Å; I421-L425 WeakPolarHBondContact O-CB 3.39Å; I421-L425 PolarHBondContact O-N 2.82Å; I421-Y451 VanDerWaalsContact CG1-OH 3.25Å; I421-Y451 WeakPolarHBondContact CG1-OH 3.46Å; I421-F471 HydrophobicContact CD1-CE1 4.48Å; I421-F471 HydrophobicContact CD1-CZ 3.73Å
422	A	94.3	Very high	95	Very high	60 Å²	60	38.2 Å²	38.2	50%	0.496	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-36.8	178	0	0	0	0	0	112.2	G418 V420 K426	G418-A422 VanDerWaalsContact O-CB 3.27Å; G418-A422 WeakPolarHBondContact O-CB 3.32Å; G418-A422 PolarHBondContact O-N 2.93Å; V420-A422 VanDerWaalsContact C-N 3.32Å; V420-A422 PolarHBondContact O-N 3.17Å; A422-K426 PolarHBondContact O-N 3.39Å; A422-K426 VanDerWaalsContact O-N 3.12Å
423	T	95.8	Very high	95.1	Very high	23 Å²	23	34.9 Å²	34.9	14%	0.141	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-45.6	175.3	-54	0	0	0	0	110.7	V407 A419 V420 I421 K426 N427	V407-T423 HydrophobicContact CG2-CG2 4.35Å; A419-T423 WeakPolarHBondContact O-CB 3.22Å; A419-T423 PolarHBondContact O-N 3.15Å; A419-T423 PolarHBondContact O-OG1 2.87Å; V420-T423 WeakPolarHBondContact O-CB 3.33Å; V420-T423 PolarHBondContact O-N 3.3Å; V420-T423 VanDerWaalsContact O-N 3.1Å; I421-T423 VanDerWaalsContact C-N 3.27Å; I421-T423 PolarHBondContact O-N 3.39Å; T423-K426 PolarHBondContact O-N 3.08Å; T423-N427 WeakPolarHBondContact O-CB 3.44Å; T423-N427 PolarHBondContact O-N 3.17Å
424	E	95.4	Very high	95.3	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-67.3	-36.5	177.6	-65.9	-50.2	130.7	0	0	112.7	L396 W409 V420 I421 K426 N427 N428 L432	L396-E424 HydrophobicContact CD1-CB 4.23Å; L396-E424 HydrophobicContact CD1-CG 4.21Å; L396-E424 HydrophobicContact CD2-CB 4.46Å; W409-E424 HydrophobicContact CZ2-CG 3.88Å; V420-E424 HydrophobicContact CG1-CG 4.43Å; V420-E424 WeakPolarHBondContact O-CG 3.25Å; V420-E424 PolarHBondContact O-N 3.33Å; I421-E424 PolarHBondContact O-N 2.97Å; E424-K426 VanDerWaalsContact C-N 3.29Å; E424-K426 PolarHBondContact O-N 2.82Å; E424-N427 PolarHBondContact O-N 3.44Å; E424-N428 WeakPolarHBondContact O-CA 3.49Å; E424-N428 VanDerWaalsContact O-CB 3.31Å; E424-N428 WeakPolarHBondContact O-CB 3.3Å; E424-N428 PolarHBondContact O-N 3.49Å; E424-N428 PolarHBondContact OE2-ND2 2.95Å; E424-L432 HydrophobicContact CB-CD1 4.5Å
425	L	95.2	Very high	95.6	Very high	35 Å²	35	33.8 Å²	33.8	18%	0.183	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-38.9	173.5	178.2	56.7	0	0	0	111.5	I421 S429 L432 I480	I421-L425 VanDerWaalsContact O-CB 3.24Å; I421-L425 WeakPolarHBondContact O-CB 3.39Å; I421-L425 PolarHBondContact O-N 2.82Å; L425-S429 VanDerWaalsContact O-CA 3.27Å; L425-S429 WeakPolarHBondContact O-CA 3.43Å; L425-S429 WeakPolarHBondContact O-CB 3.35Å; L425-S429 PolarHBondContact O-N 2.88Å; L425-L432 HydrophobicContact CB-CD1 4.42Å; L425-L432 HydrophobicContact CD1-CD1 4.43Å; L425-I480 HydrophobicContact CD1-CB 3.56Å; L425-I480 HydrophobicContact CD1-CG2 3.67Å; L425-I480 HydrophobicContact CD2-CB 4.36Å; L425-I480 HydrophobicContact CD2-CG2 4.34Å
426	K	95.7	Very high	95.8	Very high	95 Å²	95	29.7 Å²	29.7	41%	0.413	17%	0.167	S	C	.	.	H	α-helix	trans	-68.6	-45.3	175.2	-177.7	-180	175	-174.5	0	111.6	T294 N296 A422 T423 E424	T294-K426 CarbonylContact C-O 3.56Å; T294-K426 VanDerWaalsContact O-O 3.06Å; T294-K426 PolarHBondContact OG1-O 3.22Å; N296-K426 PolarHBondContact ND2-NZ 2.9Å; N296-K426 VanDerWaalsContact ND2-NZ 3.16Å; N296-K426 WeakPolarHBondContact OD1-CE 3.47Å; N296-K426 PolarHBondContact OD1-NZ 3.13Å; A422-K426 PolarHBondContact O-N 3.39Å; A422-K426 VanDerWaalsContact O-N 3.12Å; T423-K426 PolarHBondContact O-N 3.08Å; E424-K426 VanDerWaalsContact C-N 3.29Å; E424-K426 PolarHBondContact O-N 2.82Å
427	N	96.4	Very high	96	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-85.2	-26.2	-170.7	-69.5	-11.5	0	0	0	113.6	S292 E293 T294 A295 C404 T423 E424	S292-N427 CarbonylContact C-O 3.58Å; S292-N427 WeakPolarHBondContact CA-O 3.46Å; E293-N427 PolarHBondContact N-O 3.07Å; E293-N427 VanDerWaalsContact N-O 3.15Å; T294-N427 PolarHBondContact N-O 3.28Å; T294-N427 PolarHBondContact OG1-O 3.12Å; A295-N427 HydrophobicContact CB-CB 4.16Å; A295-N427 WeakPolarHBondContact CB-OD1 3.44Å; C404-N427 PolarHBondContact O-ND2 3.46Å; C404-N427 PolarHBondContact O-OD1 2.97Å; T423-N427 WeakPolarHBondContact O-CB 3.44Å; T423-N427 PolarHBondContact O-N 3.17Å; E424-N427 PolarHBondContact O-N 3.44Å
428	N	97.1	Very high	96.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.011	13%	0.132	C	C	.	.	S	Bend	trans	-129.9	35.3	-173.1	-67	-69.3	0	0	0	111.7	S292 T294 E424 Y430 K431 L432	S292-N428 PolarHBondContact N-OD1 3.24Å; T294-N428 PolarHBondContact OG1-N 3.39Å; E424-N428 WeakPolarHBondContact O-CA 3.49Å; E424-N428 VanDerWaalsContact O-CB 3.31Å; E424-N428 WeakPolarHBondContact O-CB 3.3Å; E424-N428 PolarHBondContact O-N 3.49Å; E424-N428 PolarHBondContact OE2-ND2 2.95Å; N428-Y430 VanDerWaalsContact C-N 3.32Å; N428-Y430 PolarHBondContact O-N 2.89Å; N428-K431 HydrophobicContact CB-CB 4.46Å; N428-K431 PolarHBondContact O-N 3.14Å; N428-K431 PolarHBondContact OD1-NZ 3.37Å; N428-L432 PolarHBondContact O-N 3.3Å
429	S	97	Very high	96.5	Very high	22 Å²	22	18.3 Å²	18.3	15%	0.154	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-41.4	-172.4	-171.5	0	0	0	0	113.1	R260 T294 L425 A433	R260-S429 PolarHBondContact NH1-OG 3.15Å; R260-S429 VanDerWaalsContact NH1-OG 3.16Å; T294-S429 WeakPolarHBondContact OG1-CB 3.28Å; T294-S429 PolarHBondContact OG1-N 3.02Å; L425-S429 VanDerWaalsContact O-CA 3.27Å; L425-S429 WeakPolarHBondContact O-CA 3.43Å; L425-S429 WeakPolarHBondContact O-CB 3.35Å; L425-S429 PolarHBondContact O-N 2.88Å; S429-A433 VanDerWaalsContact O-CB 3.3Å; S429-A433 WeakPolarHBondContact O-CB 3.48Å; S429-A433 PolarHBondContact O-N 3.01Å
430	Y	97.4	Very high	96.7	Very high	7 Å²	7	18.3 Å²	18.3	3%	0.027	10%	0.101	C	C	.	.	H	α-helix	trans	-68.7	-48.2	-179.8	-174.9	-136.3	0	0	0	112	T254 S257 R260 W265 N428 L432 A433 R434	T254-Y430 WeakPolarHBondContact CG2-OH 3.15Å; T254-Y430 PolarHBondContact O-OH 2.83Å; S257-Y430 VanDerWaalsContact O-CD2 3.31Å; S257-Y430 WeakPolarHBondContact O-CD2 3.31Å; S257-Y430 WeakPolarHBondContact O-CE2 3.36Å; S257-Y430 VanDerWaalsContact OG-CE2 3.28Å; S257-Y430 WeakPolarHBondContact OG-CE2 3.3Å; R260-Y430 HydrophobicContact CB-CD2 4.01Å; R260-Y430 HydrophobicContact CB-CG 4.45Å; W265-Y430 PolarHBondContact NE1-OH 3.07Å; N428-Y430 VanDerWaalsContact C-N 3.32Å; N428-Y430 PolarHBondContact O-N 2.89Å; Y430-L432 PolarHBondContact O-N 3.4Å; Y430-A433 PolarHBondContact O-N 3.18Å; Y430-R434 HydrophobicContact CD2-CG 4.23Å; Y430-R434 HydrophobicContact CE2-CG 3.96Å; Y430-R434 WeakPolarHBondContact O-CG 3.44Å; Y430-R434 PolarHBondContact O-N 3.44Å
431	K	97.6	Very high	96.8	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-56.4	-47.9	176.2	179.9	168.3	66.2	-173.8	0	112.5	L289 T290 N397 N428 A433 R434 W435	L289-K431 HydrophobicContact CB-CD 4.15Å; L289-K431 HydrophobicContact CD2-CD 4.42Å; T290-K431 WeakPolarHBondContact O-CD 3.36Å; T290-K431 WeakPolarHBondContact O-CE 3.31Å; T290-K431 PolarHBondContact O-NZ 2.81Å; N397-K431 PolarHBondContact OD1-NZ 2.75Å; N428-K431 HydrophobicContact CB-CB 4.46Å; N428-K431 PolarHBondContact O-N 3.14Å; N428-K431 PolarHBondContact OD1-NZ 3.37Å; K431-A433 VanDerWaalsContact C-N 3.35Å; K431-A433 PolarHBondContact O-N 3.09Å; K431-R434 PolarHBondContact O-N 2.72Å; K431-W435 HydrophobicContact CD-CH2 3.63Å; K431-W435 HydrophobicContact CD-CZ2 3.45Å; K431-W435 VanDerWaalsContact CD-CZ2 3.45Å; K431-W435 HydrophobicContact CG-CD2 4.11Å; K431-W435 HydrophobicContact CG-CE3 4.4Å; K431-W435 HydrophobicContact CG-CH2 3.71Å; K431-W435 HydrophobicContact CG-CZ2 3.39Å; K431-W435 HydrophobicContact CG-CZ3 4.21Å; K431-W435 PolarHBondContact O-N 3.04Å; K431-W435 VanDerWaalsContact O-N 3.12Å
432	L	97.6	Very high	96.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-38.4	177.9	-73.8	171.1	0	0	0	112.3	L396 E424 L425 N428 Y430 W435 T436 L449 F476	L396-L432 HydrophobicContact CD1-CD2 4.47Å; L396-L432 HydrophobicContact CD2-CD2 3.98Å; L396-L432 HydrophobicContact CD2-CG 4.5Å; E424-L432 HydrophobicContact CB-CD1 4.5Å; L425-L432 HydrophobicContact CB-CD1 4.42Å; L425-L432 HydrophobicContact CD1-CD1 4.43Å; N428-L432 PolarHBondContact O-N 3.3Å; Y430-L432 PolarHBondContact O-N 3.4Å; L432-W435 HydrophobicContact CD2-CE3 3.91Å; L432-W435 HydrophobicContact CD2-CZ3 3.97Å; L432-T436 WeakPolarHBondContact O-CB 3.45Å; L432-T436 PolarHBondContact O-N 3.42Å; L432-T436 VanDerWaalsContact O-N 3.08Å; L432-T436 PolarHBondContact O-OG1 3.42Å; L432-L449 HydrophobicContact CD2-CD1 4.37Å; L432-F476 HydrophobicContact CD2-CE1 4.3Å; L432-F476 HydrophobicContact CD2-CZ 4.12Å
433	A	97.9	Very high	97	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-45.5	176.1	0	0	0	0	0	111.8	S429 Y430 K431 W435 T436 C437 I480 L482	S429-A433 VanDerWaalsContact O-CB 3.3Å; S429-A433 WeakPolarHBondContact O-CB 3.48Å; S429-A433 PolarHBondContact O-N 3.01Å; Y430-A433 PolarHBondContact O-N 3.18Å; K431-A433 VanDerWaalsContact C-N 3.35Å; K431-A433 PolarHBondContact O-N 3.09Å; A433-W435 PolarHBondContact O-N 2.71Å; A433-T436 PolarHBondContact O-N 3.05Å; A433-T436 VanDerWaalsContact O-N 3.17Å; A433-C437 PolarHBondContact O-N 3.41Å; A433-C437 PolarHBondContact O-SG 3.45Å; A433-C437 VanDerWaalsContact O-SG 3.42Å; A433-I480 HydrophobicContact CB-CD1 4.35Å; A433-L482 HydrophobicContact CB-CD1 4.3Å
434	R	97.9	Very high	97	Very high	30 Å²	30	15.9 Å²	15.9	11%	0.113	9%	0.089	C	C	.	.	H	α-helix	trans	-55.8	-51.8	176	-72.4	172	70	-160.7	1.6	111.5	A253 T254 S257 F286 Y430 K431 T436 C437 C438	A253-R434 HydrophobicContact CB-CB 4.25Å; A253-R434 WeakPolarHBondContact CB-O 3.49Å; T254-R434 PolarHBondContact OG1-NE 3.43Å; S257-R434 WeakPolarHBondContact OG-CG 3.25Å; F286-R434 PolarHBondContact O-NH2 3.46Å; Y430-R434 HydrophobicContact CD2-CG 4.23Å; Y430-R434 HydrophobicContact CE2-CG 3.96Å; Y430-R434 WeakPolarHBondContact O-CG 3.44Å; Y430-R434 PolarHBondContact O-N 3.44Å; K431-R434 PolarHBondContact O-N 2.72Å; R434-T436 VanDerWaalsContact C-N 3.26Å; R434-T436 PolarHBondContact O-N 2.91Å; R434-C437 WeakPolarHBondContact O-CB 3.36Å; R434-C437 PolarHBondContact O-N 3.32Å; R434-C437 VanDerWaalsContact O-N 3.15Å; R434-C438 PolarHBondContact O-N 2.95Å; R434-C438 PolarHBondContact O-SG 3.16Å
435	W	98.2	Very high	97	Very high	13 Å²	13	18.9 Å²	18.9	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-37.7	178.2	-65.8	-16.1	0	0	0	113.3	L289 K394 T395 L396 K431 L432 A433 A439 L449	L289-W435 HydrophobicContact CD1-CZ2 4.01Å; L289-W435 HydrophobicContact CD2-CZ2 4Å; K394-W435 HydrophobicContact CB-CD2 3.62Å; K394-W435 HydrophobicContact CB-CE3 3.58Å; K394-W435 HydrophobicContact CB-CG 4.11Å; K394-W435 HydrophobicContact CB-CH2 4.29Å; K394-W435 HydrophobicContact CB-CZ2 4.28Å; K394-W435 HydrophobicContact CB-CZ3 3.94Å; K394-W435 HydrophobicContact CD-CD2 4.23Å; K394-W435 HydrophobicContact CD-CG 4.06Å; K394-W435 HydrophobicContact CG-CB 4.03Å; K394-W435 HydrophobicContact CG-CD2 3.74Å; K394-W435 HydrophobicContact CG-CE3 4.17Å; K394-W435 HydrophobicContact CG-CG 3.67Å; T395-W435 WeakPolarHBondContact O-CH2 3.43Å; L396-W435 HydrophobicContact CD2-CH2 4.29Å; L396-W435 HydrophobicContact CD2-CZ3 3.9Å; L396-W435 HydrophobicContact CG-CZ3 4.23Å; K431-W435 HydrophobicContact CD-CH2 3.63Å; K431-W435 HydrophobicContact CD-CZ2 3.45Å; K431-W435 VanDerWaalsContact CD-CZ2 3.45Å; K431-W435 HydrophobicContact CG-CD2 4.11Å; K431-W435 HydrophobicContact CG-CE3 4.4Å; K431-W435 HydrophobicContact CG-CH2 3.71Å; K431-W435 HydrophobicContact CG-CZ2 3.39Å; K431-W435 HydrophobicContact CG-CZ3 4.21Å; K431-W435 PolarHBondContact O-N 3.04Å; K431-W435 VanDerWaalsContact O-N 3.12Å; L432-W435 HydrophobicContact CD2-CE3 3.91Å; L432-W435 HydrophobicContact CD2-CZ3 3.97Å; A433-W435 PolarHBondContact O-N 2.71Å; W435-A439 WeakPolarHBondContact O-CB 3.17Å; W435-A439 PolarHBondContact O-N 2.77Å; W435-L449 HydrophobicContact CE3-CD2 4.18Å; W435-L449 HydrophobicContact CZ3-CD2 4.37Å
436	T	98.1	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.6	-42.3	177.6	-52.7	0	0	0	0	111.1	L432 A433 R434 A439 L440 F476 A477 I480 L482	L432-T436 WeakPolarHBondContact O-CB 3.45Å; L432-T436 PolarHBondContact O-N 3.42Å; L432-T436 VanDerWaalsContact O-N 3.08Å; L432-T436 PolarHBondContact O-OG1 3.42Å; A433-T436 PolarHBondContact O-N 3.05Å; A433-T436 VanDerWaalsContact O-N 3.17Å; R434-T436 VanDerWaalsContact C-N 3.26Å; R434-T436 PolarHBondContact O-N 2.91Å; T436-A439 PolarHBondContact O-N 2.83Å; T436-L440 HydrophobicContact CG2-CD1 4.13Å; T436-L440 HydrophobicContact CG2-CG 4.48Å; T436-L440 WeakPolarHBondContact O-CB 3.27Å; T436-L440 VanDerWaalsContact O-CG 3.24Å; T436-L440 WeakPolarHBondContact O-CG 3.45Å; T436-L440 PolarHBondContact O-N 3.4Å; T436-F476 HydrophobicContact CG2-CD1 4.23Å; T436-F476 WeakPolarHBondContact OG1-CD1 3.48Å; T436-F476 WeakPolarHBondContact OG1-CE1 3.45Å; T436-A477 HydrophobicContact CG2-CB 3.79Å; T436-I480 HydrophobicContact CG2-CD1 4.3Å; T436-I480 WeakPolarHBondContact OG1-CD1 3.39Å; T436-L482 HydrophobicContact CG2-CD2 4.09Å
437	C	97.9	Very high	97.2	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.027	8%	0.083	C	C	.	.	H	α-helix	trans	-58.5	-48.8	173.1	-72	0	0	0	0	111.8	A253 M256 A433 R434 A439 L440 L441	A253-C437 HydrophobicContact CB-CB 3.72Å; M256-C437 HydrophobicContact SD-CB 4.44Å; A433-C437 PolarHBondContact O-N 3.41Å; A433-C437 PolarHBondContact O-SG 3.45Å; A433-C437 VanDerWaalsContact O-SG 3.42Å; R434-C437 WeakPolarHBondContact O-CB 3.36Å; R434-C437 PolarHBondContact O-N 3.32Å; R434-C437 VanDerWaalsContact O-N 3.15Å; C437-A439 VanDerWaalsContact C-N 3.34Å; C437-A439 PolarHBondContact O-N 3.06Å; C437-L440 PolarHBondContact O-N 2.99Å; C437-L441 WeakPolarHBondContact O-CB 3.41Å; C437-L441 VanDerWaalsContact O-CG 3.3Å; C437-L441 WeakPolarHBondContact O-CG 3.09Å; C437-L441 PolarHBondContact O-N 3Å
438	C	97.3	Very high	97.3	Very high	12 Å²	12	14.8 Å²	14.8	8%	0.081	8%	0.083	C	C	.	.	H	α-helix	trans	-57.7	-46.1	176.5	-59.3	0	0	0	0	111.4	D249 A253 R434 L440 L441 A442	D249-C438 HydrophobicContact CB-CB 4.5Å; A253-C438 WeakPolarHBondContact CB-SG 3.48Å; R434-C438 PolarHBondContact O-N 2.95Å; R434-C438 PolarHBondContact O-SG 3.16Å; C438-L440 VanDerWaalsContact C-N 3.32Å; C438-L440 PolarHBondContact O-N 3.25Å; C438-L441 PolarHBondContact O-N 3.12Å; C438-A442 VanDerWaalsContact O-CB 3.28Å; C438-A442 WeakPolarHBondContact O-CB 3.39Å; C438-A442 PolarHBondContact O-N 3.33Å
439	A	97.7	Very high	97.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-35.5	-179.9	0	0	0	0	0	113.1	N392 W435 T436 C437 G443 S444 L447 P473	N392-A439 HydrophobicContact CB-CB 4.22Å; W435-A439 WeakPolarHBondContact O-CB 3.17Å; W435-A439 PolarHBondContact O-N 2.77Å; T436-A439 PolarHBondContact O-N 2.83Å; C437-A439 VanDerWaalsContact C-N 3.34Å; C437-A439 PolarHBondContact O-N 3.06Å; A439-G443 PolarHBondContact O-N 3.28Å; A439-S444 PolarHBondContact O-N 3.02Å; A439-L447 HydrophobicContact CB-CD1 4.39Å; A439-P473 HydrophobicContact CB-CB 4.13Å; A439-P473 HydrophobicContact CB-CG 3.88Å
440	L	97.2	Very high	97.4	Very high	40 Å²	40	13.8 Å²	13.8	21%	0.209	8%	0.075	C	C	.	.	H	α-helix	trans	-68.5	-48.2	174.2	-72.6	169	0	0	0	111.5	T436 C437 C438 A442 G443 P473 N474 A477 V484	T436-L440 HydrophobicContact CG2-CD1 4.13Å; T436-L440 HydrophobicContact CG2-CG 4.48Å; T436-L440 WeakPolarHBondContact O-CB 3.27Å; T436-L440 VanDerWaalsContact O-CG 3.24Å; T436-L440 WeakPolarHBondContact O-CG 3.45Å; T436-L440 PolarHBondContact O-N 3.4Å; C437-L440 PolarHBondContact O-N 2.99Å; C438-L440 VanDerWaalsContact C-N 3.32Å; C438-L440 PolarHBondContact O-N 3.25Å; L440-A442 VanDerWaalsContact C-N 3.32Å; L440-A442 PolarHBondContact O-N 3.21Å; L440-G443 PolarHBondContact O-N 3.46Å; L440-P473 HydrophobicContact CD2-CB 3.73Å; L440-P473 HydrophobicContact CG-CB 4.02Å; L440-N474 WeakPolarHBondContact CD2-OD1 3.24Å; L440-A477 HydrophobicContact CD1-CB 4.18Å; L440-V484 HydrophobicContact CD1-CG2 3.92Å
441	L	97	Very high	97.4	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.026	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-42.7	177.4	-71.5	172	0	0	0	111.4	D249 L252 M256 R361 W363 C437 C438 G443 W488	D249-L441 HydrophobicContact CB-CD1 4.4Å; L252-L441 HydrophobicContact CB-CD1 3.96Å; L252-L441 HydrophobicContact CD1-CD1 4.44Å; M256-L441 HydrophobicContact CE-CD1 4.47Å; M256-L441 HydrophobicContact CE-CD2 3.89Å; M256-L441 HydrophobicContact SD-CD1 4.22Å; M256-L441 HydrophobicContact SD-CD2 4.41Å; M256-L441 HydrophobicContact SD-CG 4.49Å; R361-L441 WeakPolarHBondContact CD-O 3.36Å; R361-L441 PolarHBondContact NH1-O 3.36Å; W363-L441 HydrophobicContact CH2-CD2 4.26Å; W363-L441 WeakPolarHBondContact CH2-O 3.13Å; W363-L441 HydrophobicContact CZ2-CD2 4.09Å; W363-L441 WeakPolarHBondContact CZ2-O 3.46Å; C437-L441 WeakPolarHBondContact O-CB 3.41Å; C437-L441 VanDerWaalsContact O-CG 3.3Å; C437-L441 WeakPolarHBondContact O-CG 3.09Å; C437-L441 PolarHBondContact O-N 3Å; C438-L441 PolarHBondContact O-N 3.12Å; L441-G443 PolarHBondContact O-N 3.03Å; L441-W488 HydrophobicContact CD2-CH2 3.82Å; L441-W488 HydrophobicContact CD2-CZ2 3.83Å
442	A	96.8	Very high	97.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.4	176	0	0	0	0	0	113.8	R361 C375 E376 H377 C438 L440 S444	R361-A442 VanDerWaalsContact NH1-C 3.34Å; R361-A442 PolarHBondContact NH1-O 3.49Å; C375-A442 HydrophobicContact CB-CB 3.84Å; E376-A442 WeakPolarHBondContact O-CB 3.21Å; H377-A442 PolarHBondContact CE1-O 2.72Å; H377-A442 PolarHBondContact NE2-O 3.22Å; C438-A442 VanDerWaalsContact O-CB 3.28Å; C438-A442 WeakPolarHBondContact O-CB 3.39Å; C438-A442 PolarHBondContact O-N 3.33Å; L440-A442 VanDerWaalsContact C-N 3.32Å; L440-A442 PolarHBondContact O-N 3.21Å; A442-S444 VanDerWaalsContact C-N 3.32Å
443	G	95.8	Very high	97.4	Very high	41 Å²	41	13.6 Å²	13.6	42%	0.423	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	37	-172.6	0	0	0	0	0	112	A439 L440 L441	A439-G443 PolarHBondContact O-N 3.28Å; L440-G443 PolarHBondContact O-N 3.46Å; L441-G443 PolarHBondContact O-N 3.03Å
444	S	96.1	Very high	97.4	Very high	8 Å²	8	13.7 Å²	13.7	6%	0.056	8%	0.076	C	C	.	.			trans	-70.2	135.3	177.3	-61.1	0	0	0	0	110.3	H377 A439 A442 Y446 P473	H377-S444 PolarHBondContact CE1-OG 3.1Å; H377-S444 VanDerWaalsContact CE1-OG 3.27Å; H377-S444 PolarHBondContact ND1-OG 2.72Å; A439-S444 PolarHBondContact O-N 3.02Å; A442-S444 VanDerWaalsContact C-N 3.32Å; S444-Y446 VanDerWaalsContact C-N 3.35Å; S444-P473 WeakPolarHBondContact O-CG 3.36Å
445	E	95.8	Very high	97.3	Very high	76 Å²	76	18.6 Å²	18.6	36%	0.355	10%	0.095	S	C	.	.	S	Bend	trans	-70.2	-37.6	176.2	-179.9	59.6	-152.9	0	0	110.6	F390 K472 P473	F390-E445 PolarHBondContact O-N 3.02Å; F390-E445 VanDerWaalsContact O-N 3.1Å; E445-K472 WeakPolarHBondContact OE1-CE 3.24Å; E445-K472 IonicContact OE1-NZ 3.77Å; E445-K472 PolarHBondContact OE1-NZ 2.91Å; E445-P473 WeakPolarHBondContact O-CD 3.46Å
446	Y	96.9	Very high	97.1	Very high	46 Å²	46	22.9 Å²	22.9	18%	0.18	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.8	178.3	-53.8	-62.5	0	0	0	113.5	M381 F390 I391 N392 S444 Q470 F471 K472	M381-Y446 HydrophobicContact CG-CD2 4.31Å; M381-Y446 HydrophobicContact SD-CD2 3.55Å; M381-Y446 VanDerWaalsContact SD-CD2 3.55Å; M381-Y446 HydrophobicContact SD-CE2 3.78Å; F390-Y446 PolarHBondContact O-N 2.95Å; I391-Y446 VanDerWaalsContact CA-O 3.3Å; I391-Y446 WeakPolarHBondContact CA-O 3.48Å; I391-Y446 HydrophobicContact CG2-CD2 4.13Å; N392-Y446 PolarHBondContact N-O 2.82Å; S444-Y446 VanDerWaalsContact C-N 3.35Å; Y446-Q470 HydrophobicContact CD1-CG 3.92Å; Y446-Q470 HydrophobicContact CG-CG 4.03Å; Y446-Q470 VanDerWaalsContact CG-NE2 3.3Å; Y446-Q470 VanDerWaalsContact CZ-NE2 3.34Å; Y446-F471 CarbonylContact C-O 3.18Å; Y446-F471 WeakPolarHBondContact CA-O 3.5Å; Y446-K472 HydrophobicContact CD1-CG 4.16Å; Y446-K472 HydrophobicContact CE1-CG 4.13Å
447	L	97.8	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.2	163.2	176	63.1	0	0	0	108.2	N392 K394 A439 L449 F471 P473 F476	N392-L447 HydrophobicContact CB-CD1 4.18Å; K394-L447 HydrophobicContact CG-CD1 4.2Å; A439-L447 HydrophobicContact CB-CD1 4.39Å; L447-L449 HydrophobicContact CD1-CD2 4.33Å; L447-L449 HydrophobicContact CD2-CD2 4.42Å; L447-L449 HydrophobicContact CG-CD2 4.2Å; L447-F471 PolarHBondContact N-O 3.16Å; L447-F471 PolarHBondContact O-N 2.75Å; L447-P473 HydrophobicContact CB-CG 4.29Å; L447-F476 HydrophobicContact CD2-CD1 3.67Å; L447-F476 HydrophobicContact CD2-CE1 4.04Å; L447-F476 HydrophobicContact CD2-CG 4.43Å
448	K	97.8	Very high	96.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.7	176	-74.2	-76.6	-164.4	174.1	0	109.2	D207 I391 N392 I393 K394 Q469 Q470	D207-K448 VanDerWaalsContact CG-NZ 3.26Å; D207-K448 IonicContact OD1-NZ 3.66Å; D207-K448 PolarHBondContact OD1-NZ 3.36Å; D207-K448 IonicContact OD2-NZ 2.64Å; D207-K448 PolarHBondContact OD2-NZ 3.42Å; I391-K448 HydrophobicContact CD1-CG 4.29Å; N392-K448 PolarHBondContact O-N 2.81Å; I393-K448 HydrophobicContact CG1-CB 4.37Å; K394-K448 PolarHBondContact N-O 2.89Å; K448-Q469 CarbonylContact C-O 3.24Å; K448-Q469 WeakPolarHBondContact CA-O 3.42Å; K448-Q470 HydrophobicContact CD-CB 3.84Å; K448-Q470 HydrophobicContact CD-CG 4.04Å
449	L	98	Very high	96.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.3	173.8	-61.8	-173.8	0	0	0	110.3	K394 L396 L432 W435 L447 T468 Q469 F471 F476	K394-L449 HydrophobicContact CB-CD2 3.96Å; K394-L449 CarbonylContact O-C 3.6Å; K394-L449 VanDerWaalsContact O-CA 3.29Å; K394-L449 WeakPolarHBondContact O-CA 3.34Å; L396-L449 HydrophobicContact CD1-CD1 4.25Å; L432-L449 HydrophobicContact CD2-CD1 4.37Å; W435-L449 HydrophobicContact CE3-CD2 4.18Å; W435-L449 HydrophobicContact CZ3-CD2 4.37Å; L447-L449 HydrophobicContact CD1-CD2 4.33Å; L447-L449 HydrophobicContact CD2-CD2 4.42Å; L447-L449 HydrophobicContact CG-CD2 4.2Å; L449-T468 CarbonylContact O-C 3.39Å; L449-T468 WeakPolarHBondContact O-CA 3.25Å; L449-Q469 PolarHBondContact N-O 3.36Å; L449-Q469 PolarHBondContact O-N 3.47Å; L449-F471 HydrophobicContact CD1-CD2 4.16Å; L449-F471 HydrophobicContact CD1-CE2 3.82Å; L449-F471 HydrophobicContact CG-CD2 4.3Å; L449-F471 HydrophobicContact CG-CE2 4.28Å; L449-F476 HydrophobicContact CD1-CE1 4.37Å; L449-F476 HydrophobicContact CD1-CE2 4.31Å; L449-F476 HydrophobicContact CD1-CZ 3.84Å
450	G	97.9	Very high	96	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.9	168.5	0	0	0	0	0	111.6	F323 K394 L396	F323-G450 VanDerWaalsContact CE1-CA 3.48Å; F323-G450 VanDerWaalsContact CZ-CA 3.46Å; K394-G450 PolarHBondContact O-N 3.32Å; L396-G450 PolarHBondContact N-O 2.91Å
451	Y	98.2	Very high	95.8	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	105.4	171.2	-64.1	-82.2	0	0	0	109.3	L396 W409 L413 V420 I421 L466 G467 Q469	L396-Y451 HydrophobicContact CB-CD1 4.41Å; L396-Y451 HydrophobicContact CD1-CD1 4.38Å; L396-Y451 HydrophobicContact CD1-CE1 3.87Å; W409-Y451 HydrophobicContact CD2-CD1 4.4Å; W409-Y451 HydrophobicContact CE3-CD1 4.02Å; W409-Y451 HydrophobicContact CE3-CG 4.39Å; W409-Y451 AromaticContact CH2-CD1 3.99Å; W409-Y451 HydrophobicContact CH2-CD1 3.99Å; W409-Y451 HydrophobicContact CZ2-CD1 4.35Å; W409-Y451 AromaticContact CZ3-CD1 3.81Å; W409-Y451 HydrophobicContact CZ3-CD1 3.81Å; W409-Y451 HydrophobicContact CZ3-CG 4.28Å; L413-Y451 HydrophobicContact CD1-CD1 3.89Å; L413-Y451 HydrophobicContact CD1-CD2 3.9Å; L413-Y451 HydrophobicContact CD1-CE1 3.97Å; L413-Y451 HydrophobicContact CD1-CE2 3.96Å; L413-Y451 HydrophobicContact CD1-CG 3.85Å; L413-Y451 HydrophobicContact CD2-CD2 4.09Å; L413-Y451 HydrophobicContact CD2-CG 3.94Å; V420-Y451 HydrophobicContact CG1-CD1 4.42Å; V420-Y451 HydrophobicContact CG1-CE1 4.05Å; I421-Y451 VanDerWaalsContact CG1-OH 3.25Å; I421-Y451 WeakPolarHBondContact CG1-OH 3.46Å; Y451-L466 PolarHBondContact O-N 3.49Å; Y451-G467 PolarHBondContact N-O 2.78Å; Y451-Q469 HydrophobicContact CE2-CB 3.77Å; Y451-Q469 PolarHBondContact OH-OE1 3.18Å
452	V	98.4	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.9	179.2	177.9	0	0	0	0	110	L217 I319 F323 T395 L396 N397 E398 W409 H463 V464 I465	L217-V452 HydrophobicContact CD1-CG2 4.46Å; L217-V452 HydrophobicContact CD2-CG1 4.19Å; I319-V452 HydrophobicContact CD1-CG1 4.48Å; I319-V452 HydrophobicContact CG2-CB 3.73Å; I319-V452 HydrophobicContact CG2-CG1 3.67Å; I319-V452 HydrophobicContact CG2-CG2 4Å; F323-V452 HydrophobicContact CD2-CG2 4.08Å; F323-V452 HydrophobicContact CG-CG2 4.42Å; T395-V452 HydrophobicContact CG2-CB 3.99Å; T395-V452 HydrophobicContact CG2-CG2 3.46Å; T395-V452 VanDerWaalsContact CG2-CG2 3.46Å; L396-V452 PolarHBondContact O-N 3.32Å; N397-V452 CarbonylContact C-O 3.59Å; N397-V452 VanDerWaalsContact CA-O 3.25Å; N397-V452 WeakPolarHBondContact CA-O 3.4Å; E398-V452 PolarHBondContact N-O 3.38Å; W409-V452 WeakPolarHBondContact CZ3-O 3.27Å; V452-H463 HydrophobicContact CG1-CB 3.63Å; V452-V464 WeakPolarHBondContact CA-O 3.36Å; V452-I465 HydrophobicContact CG2-CG1 4.14Å
453	S	97.8	Very high	95.8	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.7	177.2	-179.7	0	0	0	0	109.9	E398 R410 H463 V464	E398-S453 WeakPolarHBondContact O-CA 3.49Å; E398-S453 VanDerWaalsContact OE2-CB 3.25Å; E398-S453 WeakPolarHBondContact OE2-CB 3.39Å; E398-S453 PolarHBondContact OE2-OG 3.04Å; R410-S453 PolarHBondContact NH1-OG 3.38Å; S453-H463 CarbonylContact O-C 3.53Å; S453-H463 WeakPolarHBondContact O-CA 3.4Å; S453-V464 PolarHBondContact N-O 2.65Å; S453-V464 PolarHBondContact O-N 3.27Å
454	R	97.1	Very high	95.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	145.1	167.8	-69.9	179.9	-180	167.4	1	109.9	F306 N307 E315 E398 R410 H456 V457 D459	F306-R454 PolarHBondContact O-NH2 2.62Å; N307-R454 PolarHBondContact OD1-NH1 2.98Å; N307-R454 PolarHBondContact OD1-NH2 2.92Å; E315-R454 IonicContact OE1-CZ 3.36Å; E315-R454 IonicContact OE1-NE 3.21Å; E315-R454 PolarHBondContact OE1-NE 3.21Å; E315-R454 IonicContact OE1-NH2 3.53Å; E315-R454 IonicContact OE2-CZ 3.03Å; E315-R454 IonicContact OE2-NE 3.42Å; E315-R454 PolarHBondContact OE2-NE 2.9Å; E315-R454 IonicContact OE2-NH2 3.34Å; E315-R454 PolarHBondContact OE2-NH2 2.84Å; E398-R454 PolarHBondContact O-N 2.88Å; R410-R454 PolarHBondContact NH1-O 3.21Å; R410-R454 PolarHBondContact NH2-O 3.42Å; R454-H456 VanDerWaalsContact C-N 3.32Å; R454-V457 PolarHBondContact NH1-O 2.78Å; R454-V457 VanDerWaalsContact NH1-O 3.13Å; R454-D459 WeakPolarHBondContact CD-O 3.35Å
455	Y	95.1	Very high	96	Very high	133 Å²	133	42.1 Å²	42.1	52%	0.522	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-42.3	174.1	-177.9	-99.8	0	0	0	110.6	R462 V464	Y455-R462 PolarHBondContact N-O 3.42Å; Y455-V464 HydrophobicContact CD2-CG1 3.9Å
456	H	94.6	Very high	96.1	Very high	102 Å²	102	38.5 Å²	38.5	47%	0.472	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.5	172.5	-175.4	-87	0	0	0	109	R454 K458 D459	R454-H456 VanDerWaalsContact C-N 3.32Å; H456-K458 PolarHBondContact ND1-N 3.23Å; H456-K458 PolarHBondContact O-N 3.44Å; H456-D459 HydrophobicContact CB-CB 4.17Å; H456-D459 PolarHBondContact O-N 3.06Å; H456-D459 VanDerWaalsContact O-O 3.1Å
457	V	92	Very high	96.1	Very high	46 Å²	46	36.5 Å²	36.5	28%	0.279	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.8	-171.7	-179.2	0	0	0	0	113.7	D400 R454	D400-V457 HydrophobicContact CB-CG1 3.52Å; D400-V457 WeakPolarHBondContact OD2-CG1 3.28Å; R454-V457 PolarHBondContact NH1-O 2.78Å; R454-V457 VanDerWaalsContact NH1-O 3.13Å
458	K	91.8	Very high	96.1	Very high	153 Å²	153	37 Å²	37	67%	0.665	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	6.3	178.6	-54.3	-173.8	179.3	-178.7	0	114.7	F306 H456	F306-K458 HydrophobicContact CZ-CB 4.46Å; H456-K458 PolarHBondContact ND1-N 3.23Å; H456-K458 PolarHBondContact O-N 3.44Å
459	D	92.4	Very high	96	Very high	35 Å²	35	38.6 Å²	38.6	19%	0.187	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	106.2	-176.4	-179	7.5	0	0	0	109.3	R454 H456 S461 R462	R454-D459 WeakPolarHBondContact CD-O 3.35Å; H456-D459 HydrophobicContact CB-CB 4.17Å; H456-D459 PolarHBondContact O-N 3.06Å; H456-D459 VanDerWaalsContact O-O 3.1Å; D459-S461 VanDerWaalsContact C-N 3.31Å; D459-S461 WeakPolarHBondContact OD1-CB 3.41Å; D459-S461 PolarHBondContact OD1-N 2.97Å; D459-S461 PolarHBondContact OD1-OG 3.02Å; D459-R462 IonicContact OD2-CZ 2.78Å; D459-R462 VanDerWaalsContact OD2-CZ 3.25Å; D459-R462 IonicContact OD2-NE 3.79Å; D459-R462 PolarHBondContact OD2-NE 3.3Å; D459-R462 IonicContact OD2-NH2 3.67Å; D459-R462 PolarHBondContact OD2-NH2 3.36Å
460	S	92.4	Very high	95.9	Very high	46 Å²	46	42 Å²	42	32%	0.322	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	1.6	177.5	54.6	0	0	0	0	113.4	E315 H463	E315-S460 WeakPolarHBondContact OE2-CB 3.14Å; S460-H463 PolarHBondContact O-CE1 3.38Å; S460-H463 PolarHBondContact O-NE2 3.08Å
461	S	92.4	Very high	95.8	Very high	83 Å²	83	42.6 Å²	42.6	58%	0.58	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	-22.1	-176.5	71.4	0	0	0	0	114.3	D459	D459-S461 VanDerWaalsContact C-N 3.31Å; D459-S461 WeakPolarHBondContact OD1-CB 3.41Å; D459-S461 PolarHBondContact OD1-N 2.97Å; D459-S461 PolarHBondContact OD1-OG 3.02Å
462	R	95.8	Very high	95.8	Very high	134 Å²	134	46.3 Å²	46.3	51%	0.506	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130	-174.6	-67.8	178.7	-64.4	161.9	1.4	110.8	Y455 D459	Y455-R462 PolarHBondContact N-O 3.42Å; D459-R462 IonicContact OD2-CZ 2.78Å; D459-R462 VanDerWaalsContact OD2-CZ 3.25Å; D459-R462 IonicContact OD2-NE 3.79Å; D459-R462 PolarHBondContact OD2-NE 3.3Å; D459-R462 IonicContact OD2-NH2 3.67Å; D459-R462 PolarHBondContact OD2-NH2 3.36Å
463	H	98	Very high	95.7	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.046	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.3	-179.2	-50.2	85.9	0	0	0	111.6	L217 E315 I319 V452 S453 S460	L217-H463 HydrophobicContact CB-CB 3.93Å; L217-H463 HydrophobicContact CD2-CB 3.95Å; L217-H463 PolarHBondContact N-O 3.2Å; E315-H463 IonicContact OE1-CD2 3.92Å; E315-H463 IonicContact OE1-CE1 3.91Å; E315-H463 IonicContact OE1-NE2 2.81Å; E315-H463 PolarHBondContact OE1-NE2 3.43Å; I319-H463 VanDerWaalsContact CD1-CD2 3.5Å; I319-H463 WeakPolarHBondContact CD1-CD2 3.41Å; V452-H463 HydrophobicContact CG1-CB 3.63Å; S453-H463 CarbonylContact O-C 3.53Å; S453-H463 WeakPolarHBondContact O-CA 3.4Å; S460-H463 PolarHBondContact O-CE1 3.38Å; S460-H463 PolarHBondContact O-NE2 3.08Å
464	V	98.1	Very high	95.7	Very high	8 Å²	8	51.9 Å²	51.9	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.6	175.5	-63.1	0	0	0	0	110.2	E214 K215 V452 S453 Y455 L466	E214-V464 HydrophobicContact CB-CB 4.39Å; E214-V464 HydrophobicContact CG-CB 4.49Å; K215-V464 CarbonylContact O-C 3.11Å; K215-V464 WeakPolarHBondContact O-CA 3.29Å; V452-V464 WeakPolarHBondContact CA-O 3.36Å; S453-V464 PolarHBondContact N-O 2.65Å; S453-V464 PolarHBondContact O-N 3.27Å; Y455-V464 HydrophobicContact CD2-CG1 3.9Å; V464-L466 HydrophobicContact CG2-CD2 3.87Å
465	I	98.4	Very high	95.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.3	174.1	-55.7	166.6	0	0	0	107.1	F206 I209 E214 K215 L217 F323 V452	F206-I465 HydrophobicContact CD1-CD1 4.41Å; F206-I465 HydrophobicContact CE1-CD1 3.82Å; I209-I465 HydrophobicContact CD1-CG2 4.02Å; I209-I465 HydrophobicContact CG2-CG2 4.49Å; I209-I465 WeakPolarHBondContact CG2-O 3.29Å; E214-I465 WeakPolarHBondContact CA-O 3.35Å; E214-I465 WeakPolarHBondContact CB-O 3.24Å; K215-I465 PolarHBondContact N-O 3.05Å; K215-I465 VanDerWaalsContact N-O 3.14Å; K215-I465 PolarHBondContact O-N 3.46Å; L217-I465 HydrophobicContact CB-CG1 4.45Å; L217-I465 HydrophobicContact CD1-CD1 4.02Å; L217-I465 HydrophobicContact CD1-CG1 3.98Å; F323-I465 HydrophobicContact CD2-CD1 3.85Å; F323-I465 HydrophobicContact CD2-CG1 4Å; F323-I465 HydrophobicContact CD2-CG2 4.42Å; F323-I465 HydrophobicContact CE2-CD1 4.03Å; F323-I465 HydrophobicContact CE2-CG1 4.23Å; F323-I465 HydrophobicContact CE2-CG2 3.83Å; V452-I465 HydrophobicContact CG2-CG1 4.14Å
466	L	97.6	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-22.5	-178.9	-62.9	-173.7	0	0	0	112.8	T210 T211 E214 W409 R410 L413 Y451 V464	T210-L466 CarbonylContact C-O 3.54Å; T211-L466 HydrophobicContact CG2-CB 4.32Å; T211-L466 PolarHBondContact N-O 3.27Å; E214-L466 HydrophobicContact CB-CD2 4.06Å; E214-L466 WeakPolarHBondContact OE2-CD2 3.49Å; W409-L466 HydrophobicContact CB-CD1 3.65Å; W409-L466 HydrophobicContact CE3-CD1 4.27Å; R410-L466 HydrophobicContact CG-CD1 3.97Å; R410-L466 HydrophobicContact CG-CD2 4.03Å; L413-L466 HydrophobicContact CD2-CB 3.73Å; Y451-L466 PolarHBondContact O-N 3.49Å; V464-L466 HydrophobicContact CG2-CD2 3.87Å
467	G	96.8	Very high	95.8	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	176.5	178	0	0	0	0	0	112.1	Y451	Y451-G467 PolarHBondContact N-O 2.78Å
468	T	97.2	Very high	96	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.5	173.9	66.2	0	0	0	0	110	Y202 F206 D207 F323 L449	Y202-T468 PolarHBondContact OH-OG1 2.81Å; F206-T468 HydrophobicContact CB-CG2 4.16Å; F206-T468 PolarHBondContact O-OG1 2.84Å; D207-T468 WeakPolarHBondContact CA-OG1 3.38Å; D207-T468 PolarHBondContact OD1-OG1 2.88Å; D207-T468 VanDerWaalsContact OD1-OG1 3.06Å; F323-T468 HydrophobicContact CE2-CG2 4.21Å; F323-T468 HydrophobicContact CZ-CG2 3.66Å; L449-T468 CarbonylContact O-C 3.39Å; L449-T468 WeakPolarHBondContact O-CA 3.25Å
469	Q	95.6	Very high	96.1	Very high	35 Å²	35	45.2 Å²	45.2	16%	0.164	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.1	174.2	-174.3	166.6	-5.9	0	0	110.6	K448 L449 Y451 F471	K448-Q469 CarbonylContact C-O 3.24Å; K448-Q469 WeakPolarHBondContact CA-O 3.42Å; L449-Q469 PolarHBondContact N-O 3.36Å; L449-Q469 PolarHBondContact O-N 3.47Å; Y451-Q469 HydrophobicContact CE2-CB 3.77Å; Y451-Q469 PolarHBondContact OH-OE1 3.18Å; Q469-F471 HydrophobicContact CB-CE2 4.1Å; Q469-F471 HydrophobicContact CG-CD2 4.2Å; Q469-F471 HydrophobicContact CG-CE1 4.46Å; Q469-F471 HydrophobicContact CG-CE2 3.51Å; Q469-F471 HydrophobicContact CG-CZ 3.7Å
470	Q	96	Very high	96.2	Very high	73 Å²	73	43.7 Å²	43.7	34%	0.341	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.9	-178.7	-174.9	175.2	-36.8	0	0	109.6	Y446 K448	Y446-Q470 HydrophobicContact CD1-CG 3.92Å; Y446-Q470 HydrophobicContact CG-CG 4.03Å; Y446-Q470 VanDerWaalsContact CG-NE2 3.3Å; Y446-Q470 VanDerWaalsContact CZ-NE2 3.34Å; K448-Q470 HydrophobicContact CD-CB 3.84Å; K448-Q470 HydrophobicContact CD-CG 4.04Å
471	F	96.9	Very high	96.4	Very high	13 Å²	13	48.1 Å²	48.1	6%	0.057	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.2	172.7	-62.3	-86.2	0	0	0	110.4	I421 Y446 L447 L449 Q469 F476	I421-F471 HydrophobicContact CD1-CE1 4.48Å; I421-F471 HydrophobicContact CD1-CZ 3.73Å; Y446-F471 CarbonylContact C-O 3.18Å; Y446-F471 WeakPolarHBondContact CA-O 3.5Å; L447-F471 PolarHBondContact N-O 3.16Å; L447-F471 PolarHBondContact O-N 2.75Å; L449-F471 HydrophobicContact CD1-CD2 4.16Å; L449-F471 HydrophobicContact CD1-CE2 3.82Å; L449-F471 HydrophobicContact CG-CD2 4.3Å; L449-F471 HydrophobicContact CG-CE2 4.28Å; Q469-F471 HydrophobicContact CB-CE2 4.1Å; Q469-F471 HydrophobicContact CG-CD2 4.2Å; Q469-F471 HydrophobicContact CG-CE1 4.46Å; Q469-F471 HydrophobicContact CG-CE2 3.51Å; Q469-F471 HydrophobicContact CG-CZ 3.7Å; F471-F476 HydrophobicContact CB-CB 3.93Å; F471-F476 HydrophobicContact CB-CD2 4.23Å; F471-F476 HydrophobicContact CB-CG 4.22Å; F471-F476 HydrophobicContact CD1-CB 4.48Å; F471-F476 AromaticContact CD1-CD2 3.61Å; F471-F476 HydrophobicContact CD1-CD2 3.61Å; F471-F476 HydrophobicContact CD1-CE2 4.3Å; F471-F476 HydrophobicContact CD1-CG 4.39Å; F471-F476 HydrophobicContact CD2-CD2 4.01Å; F471-F476 HydrophobicContact CD2-CE2 4.21Å; F471-F476 AromaticContact CE1-CD2 3.81Å; F471-F476 HydrophobicContact CE1-CD2 3.81Å; F471-F476 HydrophobicContact CE1-CE2 4.09Å; F471-F476 HydrophobicContact CE2-CD2 4.2Å; F471-F476 HydrophobicContact CE2-CE2 4.01Å; F471-F476 HydrophobicContact CG-CB 4.31Å; F471-F476 AromaticContact CG-CD2 3.69Å; F471-F476 HydrophobicContact CG-CD2 3.69Å; F471-F476 HydrophobicContact CG-CE2 4.33Å; F471-F476 HydrophobicContact CG-CG 4.16Å; F471-F476 HydrophobicContact CZ-CD2 4.06Å; F471-F476 AromaticContact CZ-CE2 3.91Å; F471-F476 HydrophobicContact CZ-CE2 3.91Å
472	K	97.4	Very high	96.5	Very high	81 Å²	81	45 Å²	45	35%	0.352	22%	0.224	S	C	.	.			trans	-83	133.7	159.1	-67.2	-165.4	172.1	-142.7	0	108.8	E445 Y446 N474 E475 F476	E445-K472 WeakPolarHBondContact OE1-CE 3.24Å; E445-K472 IonicContact OE1-NZ 3.77Å; E445-K472 PolarHBondContact OE1-NZ 2.91Å; Y446-K472 HydrophobicContact CD1-CG 4.16Å; Y446-K472 HydrophobicContact CE1-CG 4.13Å; K472-N474 VanDerWaalsContact C-N 3.31Å; K472-N474 PolarHBondContact O-N 2.95Å; K472-E475 HydrophobicContact CB-CB 4.26Å; K472-E475 HydrophobicContact CB-CG 4.05Å; K472-E475 PolarHBondContact O-N 3.02Å; K472-E475 VanDerWaalsContact O-N 3.13Å; K472-F476 PolarHBondContact O-N 3.27Å
473	P	97.3	Very high	96.5	Very high	6 Å²	6	41 Å²	41	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-55.3	-40.7	-176.3	-30.5	37.8	0	0	0	114.5	A439 L440 S444 E445 L447 F476 A477	A439-P473 HydrophobicContact CB-CB 4.13Å; A439-P473 HydrophobicContact CB-CG 3.88Å; L440-P473 HydrophobicContact CD2-CB 3.73Å; L440-P473 HydrophobicContact CG-CB 4.02Å; S444-P473 WeakPolarHBondContact O-CG 3.36Å; E445-P473 WeakPolarHBondContact O-CD 3.46Å; L447-P473 HydrophobicContact CB-CG 4.29Å; P473-F476 PolarHBondContact O-N 3.34Å; P473-A477 WeakPolarHBondContact O-CB 3.44Å; P473-A477 PolarHBondContact O-N 3.04Å
474	N	96.1	Very high	96.3	Very high	115 Å²	115	43.3 Å²	43.3	62%	0.615	23%	0.232	S	C	*	.	H	α-helix	trans	-62.9	-42.8	177.3	-74.1	-37.3	0	0	0	113	L440 K472 S478	L440-N474 WeakPolarHBondContact CD2-OD1 3.24Å; K472-N474 VanDerWaalsContact C-N 3.31Å; K472-N474 PolarHBondContact O-N 2.95Å; N474-S478 PolarHBondContact O-N 2.89Å; N474-S478 PolarHBondContact O-OG 2.92Å
475	E	96.3	Very high	96.2	Very high	107 Å²	107	46.6 Å²	46.6	50%	0.5	25%	0.247	S	C	.	.	H	α-helix	trans	-67.5	-41.3	176.8	-65.6	176.6	-169.8	0	0	110.7	K472 S478 Q479	K472-E475 HydrophobicContact CB-CB 4.26Å; K472-E475 HydrophobicContact CB-CG 4.05Å; K472-E475 PolarHBondContact O-N 3.02Å; K472-E475 VanDerWaalsContact O-N 3.13Å; E475-S478 WeakPolarHBondContact O-CB 3.46Å; E475-S478 PolarHBondContact O-N 3.49Å; E475-Q479 WeakPolarHBondContact O-CG 3.22Å; E475-Q479 PolarHBondContact O-N 3.43Å
476	F	96.9	Very high	96.1	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-41.6	178.8	-165	-119.3	0	0	0	112	L432 T436 L447 L449 F471 K472 P473 S478 Q479 I480	L432-F476 HydrophobicContact CD2-CE1 4.3Å; L432-F476 HydrophobicContact CD2-CZ 4.12Å; T436-F476 HydrophobicContact CG2-CD1 4.23Å; T436-F476 WeakPolarHBondContact OG1-CD1 3.48Å; T436-F476 WeakPolarHBondContact OG1-CE1 3.45Å; L447-F476 HydrophobicContact CD2-CD1 3.67Å; L447-F476 HydrophobicContact CD2-CE1 4.04Å; L447-F476 HydrophobicContact CD2-CG 4.43Å; L449-F476 HydrophobicContact CD1-CE1 4.37Å; L449-F476 HydrophobicContact CD1-CE2 4.31Å; L449-F476 HydrophobicContact CD1-CZ 3.84Å; F471-F476 HydrophobicContact CB-CB 3.93Å; F471-F476 HydrophobicContact CB-CD2 4.23Å; F471-F476 HydrophobicContact CB-CG 4.22Å; F471-F476 HydrophobicContact CD1-CB 4.48Å; F471-F476 AromaticContact CD1-CD2 3.61Å; F471-F476 HydrophobicContact CD1-CD2 3.61Å; F471-F476 HydrophobicContact CD1-CE2 4.3Å; F471-F476 HydrophobicContact CD1-CG 4.39Å; F471-F476 HydrophobicContact CD2-CD2 4.01Å; F471-F476 HydrophobicContact CD2-CE2 4.21Å; F471-F476 AromaticContact CE1-CD2 3.81Å; F471-F476 HydrophobicContact CE1-CD2 3.81Å; F471-F476 HydrophobicContact CE1-CE2 4.09Å; F471-F476 HydrophobicContact CE2-CD2 4.2Å; F471-F476 HydrophobicContact CE2-CE2 4.01Å; F471-F476 HydrophobicContact CG-CB 4.31Å; F471-F476 AromaticContact CG-CD2 3.69Å; F471-F476 HydrophobicContact CG-CD2 3.69Å; F471-F476 HydrophobicContact CG-CE2 4.33Å; F471-F476 HydrophobicContact CG-CG 4.16Å; F471-F476 HydrophobicContact CZ-CD2 4.06Å; F471-F476 AromaticContact CZ-CE2 3.91Å; F471-F476 HydrophobicContact CZ-CE2 3.91Å; K472-F476 PolarHBondContact O-N 3.27Å; P473-F476 PolarHBondContact O-N 3.34Å; F476-S478 PolarHBondContact O-N 3.4Å; F476-Q479 WeakPolarHBondContact O-CB 3.09Å; F476-Q479 PolarHBondContact O-N 3.04Å; F476-I480 HydrophobicContact CD1-CG2 4.29Å; F476-I480 HydrophobicContact CD2-CG2 4.36Å; F476-I480 HydrophobicContact CE1-CG2 3.89Å; F476-I480 HydrophobicContact CE2-CG2 3.98Å; F476-I480 HydrophobicContact CZ-CG2 3.72Å; F476-I480 WeakPolarHBondContact O-CG1 3.49Å; F476-I480 PolarHBondContact O-N 3.27Å
477	A	96.8	Very high	96	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-53.6	-44.2	173.5	0	0	0	0	0	111.4	T436 L440 P473 I480 N481 L482	T436-A477 HydrophobicContact CG2-CB 3.79Å; L440-A477 HydrophobicContact CD1-CB 4.18Å; P473-A477 WeakPolarHBondContact O-CB 3.44Å; P473-A477 PolarHBondContact O-N 3.04Å; A477-I480 WeakPolarHBondContact O-CG1 3.46Å; A477-I480 PolarHBondContact O-N 2.77Å; A477-N481 PolarHBondContact O-N 2.82Å; A477-L482 HydrophobicContact CB-CB 4.4Å; A477-L482 PolarHBondContact O-N 3.18Å
478	S	95.6	Very high	96	Very high	87 Å²	87	48.7 Å²	48.7	61%	0.608	26%	0.256	S	S	*	.	H	α-helix	trans	-65	-43.6	175.8	-58.8	0	0	0	0	111.9	N474 E475 F476 I480 N481	N474-S478 PolarHBondContact O-N 2.89Å; N474-S478 PolarHBondContact O-OG 2.92Å; E475-S478 WeakPolarHBondContact O-CB 3.46Å; E475-S478 PolarHBondContact O-N 3.49Å; F476-S478 PolarHBondContact O-N 3.4Å; S478-I480 VanDerWaalsContact C-N 3.31Å; S478-I480 PolarHBondContact O-N 2.9Å; S478-N481 PolarHBondContact O-N 2.96Å; S478-N481 VanDerWaalsContact O-N 3.17Å
479	Q	94.1	Very high	96	Very high	98 Å²	98	48.4 Å²	48.4	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-34.9	177.9	-71.7	176.9	21.5	0	0	113.3	E475 F476 N481	E475-Q479 WeakPolarHBondContact O-CG 3.22Å; E475-Q479 PolarHBondContact O-N 3.43Å; F476-Q479 WeakPolarHBondContact O-CB 3.09Å; F476-Q479 PolarHBondContact O-N 3.04Å; Q479-N481 VanDerWaalsContact C-N 3.3Å
480	I	95.6	Very high	96	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	8.4	178.8	70.1	167.3	0	0	0	113.2	R260 L425 A433 T436 F476 A477 S478 L482	R260-I480 PolarHBondContact NH1-O 3.43Å; R260-I480 PolarHBondContact NH2-O 3.02Å; L425-I480 HydrophobicContact CD1-CB 3.56Å; L425-I480 HydrophobicContact CD1-CG2 3.67Å; L425-I480 HydrophobicContact CD2-CB 4.36Å; L425-I480 HydrophobicContact CD2-CG2 4.34Å; A433-I480 HydrophobicContact CB-CD1 4.35Å; T436-I480 HydrophobicContact CG2-CD1 4.3Å; T436-I480 WeakPolarHBondContact OG1-CD1 3.39Å; F476-I480 HydrophobicContact CD1-CG2 4.29Å; F476-I480 HydrophobicContact CD2-CG2 4.36Å; F476-I480 HydrophobicContact CE1-CG2 3.89Å; F476-I480 HydrophobicContact CE2-CG2 3.98Å; F476-I480 HydrophobicContact CZ-CG2 3.72Å; F476-I480 WeakPolarHBondContact O-CG1 3.49Å; F476-I480 PolarHBondContact O-N 3.27Å; A477-I480 WeakPolarHBondContact O-CG1 3.46Å; A477-I480 PolarHBondContact O-N 2.77Å; S478-I480 VanDerWaalsContact C-N 3.31Å; S478-I480 PolarHBondContact O-N 2.9Å; I480-L482 VanDerWaalsContact C-N 3.27Å; I480-L482 HydrophobicContact CD1-CB 3.88Å; I480-L482 HydrophobicContact CD1-CD2 4.16Å; I480-L482 HydrophobicContact CG1-CB 3.72Å; I480-L482 PolarHBondContact O-N 2.57Å
481	N	95.4	Very high	96.1	Very high	139 Å²	139	43.3 Å²	43.3	74%	0.743	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.9	-174.9	-62.2	-40.9	0	0	0	113.7	R260 A477 S478 Q479	R260-N481 PolarHBondContact NH2-O 3.38Å; A477-N481 PolarHBondContact O-N 2.82Å; S478-N481 PolarHBondContact O-N 2.96Å; S478-N481 VanDerWaalsContact O-N 3.17Å; Q479-N481 VanDerWaalsContact C-N 3.3Å
482	L	94.9	Very high	96	Very high	17 Å²	17	43.7 Å²	43.7	9%	0.089	23%	0.232	C	C	.	.			trans	-92.5	108.4	175.1	-179.1	69.1	0	0	0	109	A433 T436 A477 I480 V484	A433-L482 HydrophobicContact CB-CD1 4.3Å; T436-L482 HydrophobicContact CG2-CD2 4.09Å; A477-L482 HydrophobicContact CB-CB 4.4Å; A477-L482 PolarHBondContact O-N 3.18Å; I480-L482 VanDerWaalsContact C-N 3.27Å; I480-L482 HydrophobicContact CD1-CB 3.88Å; I480-L482 HydrophobicContact CD1-CD2 4.16Å; I480-L482 HydrophobicContact CG1-CB 3.72Å; I480-L482 PolarHBondContact O-N 2.57Å; L482-V484 PolarHBondContact O-N 3.05Å
483	S	95.1	Very high	95.9	Very high	52 Å²	52	40.8 Å²	40.8	36%	0.364	22%	0.222	S	C	.	.			trans	-81.8	115.7	174	172.8	0	0	0	0	109.7	E485 N486 A487	S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 2.89Å; S483-N486 PolarHBondContact O-N 3.3Å; S483-N486 PolarHBondContact OG-N 2.84Å; S483-A487 PolarHBondContact O-N 3.35Å
484	V	93.8	Very high	95.8	Very high	57 Å²	57	40.5 Å²	40.5	35%	0.345	22%	0.22	S	C	.	.	H	α-helix	trans	-63.3	-37.7	178	-179.7	0	0	0	0	111	L440 L482 N486 A487 W488	L440-V484 HydrophobicContact CD1-CG2 3.92Å; L482-V484 PolarHBondContact O-N 3.05Å; V484-N486 VanDerWaalsContact C-N 3.31Å; V484-N486 PolarHBondContact O-N 2.77Å; V484-A487 WeakPolarHBondContact O-CB 3.49Å; V484-A487 PolarHBondContact O-N 2.92Å; V484-W488 PolarHBondContact O-N 3.17Å
485	E	95.4	Very high	95.8	Very high	77 Å²	77	35 Å²	35	36%	0.36	19%	0.191	S	C	.	.	H	α-helix	trans	-59.2	-40.8	174.1	-60.3	169.4	-170.1	0	0	112.4	R183 Y184 L185 S483 G489	R183-E485 IonicContact NH1-OE2 2.78Å; R183-E485 PolarHBondContact NH1-OE2 2.92Å; Y184-E485 PolarHBondContact N-O 3.38Å; L185-E485 HydrophobicContact CD2-CG 4.15Å; S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 2.89Å; E485-G489 PolarHBondContact O-N 3.39Å
486	N	96.5	Very high	95.8	Very high	24 Å²	24	32 Å²	32	13%	0.128	18%	0.178	C	C	.	.	H	α-helix	trans	-70.9	-42.3	177.6	176.9	-117.4	0	0	0	111.4	L179 M180 M182 S483 V484 W488 G489 I490	L179-N486 PolarHBondContact O-ND2 3.38Å; M180-N486 PolarHBondContact O-ND2 3.1Å; M182-N486 WeakPolarHBondContact O-CA 3.35Å; M182-N486 PolarHBondContact O-ND2 3.05Å; S483-N486 PolarHBondContact O-N 3.3Å; S483-N486 PolarHBondContact OG-N 2.84Å; V484-N486 VanDerWaalsContact C-N 3.31Å; V484-N486 PolarHBondContact O-N 2.77Å; N486-W488 VanDerWaalsContact C-N 3.34Å; N486-W488 PolarHBondContact O-N 3.28Å; N486-G489 PolarHBondContact O-N 3.27Å; N486-G489 VanDerWaalsContact O-N 3.11Å; N486-I490 WeakPolarHBondContact O-CG1 3.32Å; N486-I490 PolarHBondContact O-N 2.92Å; N486-I490 WeakPolarHBondContact OD1-CD1 3.36Å
487	A	96.6	Very high	95.7	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-56	-47.6	175.8	0	0	0	0	0	111.9	M256 S483 V484 I490 L491	M256-A487 HydrophobicContact CB-CB 3.86Å; M256-A487 HydrophobicContact CG-CB 4.1Å; M256-A487 HydrophobicContact SD-CB 4.31Å; S483-A487 PolarHBondContact O-N 3.35Å; V484-A487 WeakPolarHBondContact O-CB 3.49Å; V484-A487 PolarHBondContact O-N 2.92Å; A487-I490 PolarHBondContact O-N 2.74Å; A487-L491 PolarHBondContact O-N 3.42Å; A487-L491 VanDerWaalsContact O-N 3.11Å
488	W	96.9	Very high	95.7	Very high	22 Å²	22	32.6 Å²	32.6	8%	0.083	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-36.8	174.3	-74.5	115	0	0	0	112.9	Y184 V187 M256 W363 L365 L371 L441 V484 N486 I490 L491 R492	Y184-W488 HydrophobicContact CD1-CB 4.23Å; V187-W488 HydrophobicContact CG1-CD2 4.22Å; V187-W488 HydrophobicContact CG1-CH2 4.38Å; V187-W488 HydrophobicContact CG1-CZ2 3.94Å; V187-W488 HydrophobicContact CG2-CB 3.97Å; V187-W488 HydrophobicContact CG2-CD2 3.79Å; V187-W488 HydrophobicContact CG2-CE3 4.34Å; V187-W488 HydrophobicContact CG2-CG 3.6Å; M256-W488 HydrophobicContact CE-CD2 3.66Å; M256-W488 HydrophobicContact CE-CE3 3.53Å; M256-W488 HydrophobicContact CE-CG 4.46Å; M256-W488 HydrophobicContact CE-CH2 3.66Å; M256-W488 HydrophobicContact CE-CZ2 3.78Å; M256-W488 HydrophobicContact CE-CZ3 3.53Å; W363-W488 HydrophobicContact CD2-CH2 4.24Å; W363-W488 HydrophobicContact CG-CH2 4.11Å; W363-W488 AromaticContact NE1-CZ2 3.94Å; L365-W488 HydrophobicContact CD1-CE3 4.37Å; L365-W488 HydrophobicContact CD1-CZ3 4.07Å; L365-W488 HydrophobicContact CD2-CE3 3.98Å; L365-W488 HydrophobicContact CD2-CZ3 3.86Å; L371-W488 HydrophobicContact CD2-CH2 4.18Å; L371-W488 HydrophobicContact CD2-CZ3 3.78Å; L441-W488 HydrophobicContact CD2-CH2 3.82Å; L441-W488 HydrophobicContact CD2-CZ2 3.83Å; V484-W488 PolarHBondContact O-N 3.17Å; N486-W488 VanDerWaalsContact C-N 3.34Å; N486-W488 PolarHBondContact O-N 3.28Å; W488-I490 VanDerWaalsContact C-N 3.35Å; W488-I490 PolarHBondContact O-N 3.34Å; W488-L491 HydrophobicContact CE3-CD2 3.9Å; W488-L491 HydrophobicContact CZ3-CD2 3.72Å; W488-L491 PolarHBondContact O-N 2.83Å; W488-R492 VanDerWaalsContact O-CB 3.29Å; W488-R492 WeakPolarHBondContact O-CB 3.42Å; W488-R492 PolarHBondContact O-N 3.31Å
489	G	96.5	Very high	95.6	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-39.8	175.4	0	0	0	0	0	113.5	E485 N486 C493	E485-G489 PolarHBondContact O-N 3.39Å; N486-G489 PolarHBondContact O-N 3.27Å; N486-G489 VanDerWaalsContact O-N 3.11Å; G489-C493 WeakPolarHBondContact O-CB 3.5Å; G489-C493 PolarHBondContact O-N 2.8Å; G489-C493 VanDerWaalsContact O-N 3.1Å
490	I	96.9	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-50.5	173.9	-68.2	165.8	0	0	0	109.9	L179 M182 L255 T259 N486 A487 W488 R492 C493 V494	L179-I490 HydrophobicContact CB-CD1 4.37Å; L179-I490 HydrophobicContact CB-CG1 4.14Å; L179-I490 HydrophobicContact CD2-CG1 4.43Å; L179-I490 HydrophobicContact CD2-CG2 4.32Å; L179-I490 WeakPolarHBondContact O-CG1 3.39Å; M182-I490 HydrophobicContact CB-CG1 4.5Å; L255-I490 WeakPolarHBondContact O-CG2 3.5Å; T259-I490 HydrophobicContact CG2-CD1 3.79Å; N486-I490 WeakPolarHBondContact O-CG1 3.32Å; N486-I490 PolarHBondContact O-N 2.92Å; N486-I490 WeakPolarHBondContact OD1-CD1 3.36Å; A487-I490 PolarHBondContact O-N 2.74Å; W488-I490 VanDerWaalsContact C-N 3.35Å; W488-I490 PolarHBondContact O-N 3.34Å; I490-R492 VanDerWaalsContact C-N 3.35Å; I490-R492 PolarHBondContact O-N 3.34Å; I490-C493 WeakPolarHBondContact O-CB 3.24Å; I490-C493 PolarHBondContact O-N 3.41Å; I490-V494 WeakPolarHBondContact O-CG2 3.46Å; I490-V494 PolarHBondContact O-N 3.27Å; I490-V494 VanDerWaalsContact O-N 3.09Å
491	L	96.6	Very high	95.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-46	-179.5	178.6	58.5	0	0	0	111.7	L252 L255 M256 L371 A487 W488 C493 V494 I495	L252-L491 HydrophobicContact CD1-CD2 4.26Å; L252-L491 HydrophobicContact CD2-CD1 3.63Å; L252-L491 HydrophobicContact CD2-CD2 4Å; L252-L491 HydrophobicContact CD2-CG 4.5Å; L255-L491 HydrophobicContact CB-CD1 4.48Å; L255-L491 HydrophobicContact CD1-CD1 4Å; M256-L491 HydrophobicContact CE-CD2 3.54Å; M256-L491 HydrophobicContact CG-CB 4.37Å; L371-L491 HydrophobicContact CD2-CD2 4.07Å; A487-L491 PolarHBondContact O-N 3.42Å; A487-L491 VanDerWaalsContact O-N 3.11Å; W488-L491 HydrophobicContact CE3-CD2 3.9Å; W488-L491 HydrophobicContact CZ3-CD2 3.72Å; W488-L491 PolarHBondContact O-N 2.83Å; L491-C493 PolarHBondContact O-N 2.83Å; L491-V494 PolarHBondContact O-N 3.39Å; L491-I495 HydrophobicContact CD1-CD1 3.91Å; L491-I495 HydrophobicContact CD1-CG1 4.15Å; L491-I495 HydrophobicContact CD2-CD1 4.47Å; L491-I495 HydrophobicContact CG-CD1 3.81Å; L491-I495 HydrophobicContact CG-CG1 4.45Å; L491-I495 WeakPolarHBondContact O-CG1 3.4Å; L491-I495 PolarHBondContact O-N 2.9Å
492	R	95.3	Very high	95.6	Very high	21 Å²	21	35 Å²	35	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-45.6	178.7	-178.8	67	-155.2	-99.6	-10.8	111.7	Y184 L365 D367 I369 W488 I490 V494 I495 D496	Y184-R492 HydrophobicContact CD2-CB 4.34Å; Y184-R492 HydrophobicContact CD2-CG 3.96Å; Y184-R492 HydrophobicContact CE2-CG 4.18Å; Y184-R492 HydrophobicContact CG-CB 4.31Å; Y184-R492 HydrophobicContact CG-CG 4.4Å; L365-R492 PolarHBondContact O-NH1 3.47Å; D367-R492 IonicContact OD2-CZ 2.68Å; D367-R492 IonicContact OD2-NH1 3.57Å; D367-R492 PolarHBondContact OD2-NH1 2.74Å; D367-R492 IonicContact OD2-NH2 3.82Å; D367-R492 PolarHBondContact OD2-NH2 3.17Å; I369-R492 VanDerWaalsContact CD1-NE 3.3Å; W488-R492 VanDerWaalsContact O-CB 3.29Å; W488-R492 WeakPolarHBondContact O-CB 3.42Å; W488-R492 PolarHBondContact O-N 3.31Å; I490-R492 VanDerWaalsContact C-N 3.35Å; I490-R492 PolarHBondContact O-N 3.34Å; R492-V494 VanDerWaalsContact C-N 3.32Å; R492-V494 PolarHBondContact O-N 2.86Å; R492-I495 PolarHBondContact O-N 3.21Å; R492-D496 IonicContact CZ-OD1 3.25Å; R492-D496 VanDerWaalsContact CZ-OD1 3.31Å; R492-D496 IonicContact CZ-OD2 3.91Å; R492-D496 IonicContact NE-OD1 2.87Å; R492-D496 PolarHBondContact NE-OD1 3.14Å; R492-D496 IonicContact NE-OD2 2.77Å; R492-D496 PolarHBondContact NE-OD2 3.18Å; R492-D496 IonicContact NH2-OD1 3.75Å; R492-D496 PolarHBondContact NH2-OD1 3.23Å; R492-D496 IonicContact NH2-OD2 2.87Å; R492-D496 PolarHBondContact NH2-OD2 2.87Å; R492-D496 WeakPolarHBondContact O-CB 3.26Å; R492-D496 VanDerWaalsContact O-CG 3.23Å; R492-D496 PolarHBondContact O-N 2.75Å
493	C	95.2	Very high	95.6	Very high	20 Å²	20	40.3 Å²	40.3	14%	0.135	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-46.3	175.9	-178.5	0	0	0	0	111.8	M182 G489 I490 L491 D496 I497	M182-C493 HydrophobicContact CE-CB 4Å; M182-C493 WeakPolarHBondContact CE-SG 3.48Å; G489-C493 WeakPolarHBondContact O-CB 3.5Å; G489-C493 PolarHBondContact O-N 2.8Å; G489-C493 VanDerWaalsContact O-N 3.1Å; I490-C493 WeakPolarHBondContact O-CB 3.24Å; I490-C493 PolarHBondContact O-N 3.41Å; L491-C493 PolarHBondContact O-N 2.83Å; C493-D496 PolarHBondContact O-N 2.92Å; C493-I497 WeakPolarHBondContact O-CD1 3.08Å; C493-I497 WeakPolarHBondContact O-CG1 3.36Å; C493-I497 PolarHBondContact O-N 3.19Å; C493-I497 VanDerWaalsContact O-N 3.09Å
494	V	96.2	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-43.6	179.9	171.8	0	0	0	0	111.2	M174 L255 F278 I490 L491 R492 I497 C498 I508	M174-V494 HydrophobicContact CE-CG2 4.35Å; L255-V494 HydrophobicContact CD2-CG1 4.46Å; F278-V494 HydrophobicContact CE1-CG1 3.93Å; F278-V494 HydrophobicContact CZ-CG1 4.14Å; I490-V494 WeakPolarHBondContact O-CG2 3.46Å; I490-V494 PolarHBondContact O-N 3.27Å; I490-V494 VanDerWaalsContact O-N 3.09Å; L491-V494 PolarHBondContact O-N 3.39Å; R492-V494 VanDerWaalsContact C-N 3.32Å; R492-V494 PolarHBondContact O-N 2.86Å; V494-I497 PolarHBondContact O-N 3.1Å; V494-C498 PolarHBondContact O-N 2.83Å; V494-C498 PolarHBondContact O-SG 2.82Å; V494-I508 HydrophobicContact CG1-CD1 3.44Å; V494-I508 VanDerWaalsContact CG1-CD1 3.44Å
495	I	96.3	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-46.4	177.1	-67	168.8	0	0	0	110.8	V245 F278 L365 I369 L491 R492 I497 C498 M499	V245-I495 HydrophobicContact CG1-CD1 4.19Å; V245-I495 HydrophobicContact CG1-CG1 4.4Å; V245-I495 HydrophobicContact CG2-CG2 3.89Å; F278-I495 HydrophobicContact CE2-CG1 3.96Å; F278-I495 HydrophobicContact CZ-CG1 4Å; L365-I495 HydrophobicContact CD1-CD1 4.31Å; I369-I495 HydrophobicContact CD1-CG2 3.86Å; I369-I495 HydrophobicContact CG1-CG2 4.38Å; I369-I495 HydrophobicContact CG2-CG2 4.1Å; L491-I495 HydrophobicContact CD1-CD1 3.91Å; L491-I495 HydrophobicContact CD1-CG1 4.15Å; L491-I495 HydrophobicContact CD2-CD1 4.47Å; L491-I495 HydrophobicContact CG-CD1 3.81Å; L491-I495 HydrophobicContact CG-CG1 4.45Å; L491-I495 WeakPolarHBondContact O-CG1 3.4Å; L491-I495 PolarHBondContact O-N 2.9Å; R492-I495 PolarHBondContact O-N 3.21Å; I495-I497 VanDerWaalsContact C-N 3.25Å; I495-I497 PolarHBondContact O-N 2.96Å; I495-C498 PolarHBondContact O-N 2.9Å; I495-M499 HydrophobicContact CG2-CG 4.01Å; I495-M499 WeakPolarHBondContact O-CB 3.45Å; I495-M499 VanDerWaalsContact O-CG 3.31Å; I495-M499 WeakPolarHBondContact O-CG 3.36Å; I495-M499 PolarHBondContact O-N 3.02Å
496	D	95	Very high	95.6	Very high	45 Å²	45	34.7 Å²	34.7	24%	0.241	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-33.1	-179.5	-70.6	-26.1	0	0	0	112.5	I369 R492 C493 K500	I369-D496 WeakPolarHBondContact CD1-OD1 3.38Å; R492-D496 IonicContact CZ-OD1 3.25Å; R492-D496 VanDerWaalsContact CZ-OD1 3.31Å; R492-D496 IonicContact CZ-OD2 3.91Å; R492-D496 IonicContact NE-OD1 2.87Å; R492-D496 PolarHBondContact NE-OD1 3.14Å; R492-D496 IonicContact NE-OD2 2.77Å; R492-D496 PolarHBondContact NE-OD2 3.18Å; R492-D496 IonicContact NH2-OD1 3.75Å; R492-D496 PolarHBondContact NH2-OD1 3.23Å; R492-D496 IonicContact NH2-OD2 2.87Å; R492-D496 PolarHBondContact NH2-OD2 2.87Å; R492-D496 WeakPolarHBondContact O-CB 3.26Å; R492-D496 VanDerWaalsContact O-CG 3.23Å; R492-D496 PolarHBondContact O-N 2.75Å; C493-D496 PolarHBondContact O-N 2.92Å; D496-K500 WeakPolarHBondContact O-CD 3.4Å; D496-K500 WeakPolarHBondContact O-CE 3.3Å; D496-K500 VanDerWaalsContact O-CG 3.26Å; D496-K500 WeakPolarHBondContact O-CG 3.34Å
497	I	95.3	Very high	95.6	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.067	17%	0.166	C	C	.	.	H	α-helix	trans	-67.7	-54.2	174.1	-68.6	163.3	0	0	0	109.2	E172 M174 C493 V494 I495 M499 K500 L501	E172-I497 HydrophobicContact CB-CG2 4.34Å; E172-I497 HydrophobicContact CG-CD1 4.35Å; E172-I497 VanDerWaalsContact OE1-CD1 3.24Å; E172-I497 WeakPolarHBondContact OE1-CD1 3.22Å; E172-I497 WeakPolarHBondContact OE2-CD1 3.42Å; E172-I497 WeakPolarHBondContact OE2-CG1 3.36Å; E172-I497 WeakPolarHBondContact OE2-CG2 3.45Å; M174-I497 HydrophobicContact CE-CD1 3.78Å; M174-I497 HydrophobicContact CG-CD1 4.42Å; M174-I497 HydrophobicContact SD-CD1 3.48Å; M174-I497 WeakPolarHBondContact SD-CD1 3.08Å; C493-I497 WeakPolarHBondContact O-CD1 3.08Å; C493-I497 WeakPolarHBondContact O-CG1 3.36Å; C493-I497 PolarHBondContact O-N 3.19Å; C493-I497 VanDerWaalsContact O-N 3.09Å; V494-I497 PolarHBondContact O-N 3.1Å; I495-I497 VanDerWaalsContact C-N 3.25Å; I495-I497 PolarHBondContact O-N 2.96Å; I497-M499 VanDerWaalsContact C-N 3.29Å; I497-M499 PolarHBondContact O-N 3.43Å; I497-K500 PolarHBondContact O-N 2.84Å; I497-L501 PolarHBondContact O-N 2.88Å
498	C	95.8	Very high	95.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-31.9	-175.8	-59.5	0	0	0	0	112.8	V269 L276 V494 I495 K500 L501	V269-C498 HydrophobicContact CG1-CB 4.33Å; L276-C498 HydrophobicContact CD1-CB 3.89Å; L276-C498 HydrophobicContact CD2-CB 3.66Å; L276-C498 HydrophobicContact CG-CB 4.44Å; V494-C498 PolarHBondContact O-N 2.83Å; V494-C498 PolarHBondContact O-SG 2.82Å; I495-C498 PolarHBondContact O-N 2.9Å; C498-K500 VanDerWaalsContact C-N 3.27Å; C498-K500 PolarHBondContact O-N 2.81Å; C498-L501 PolarHBondContact O-N 2.83Å
499	M	94.8	Very high	95.6	Very high	43 Å²	43	32.7 Å²	32.7	21%	0.212	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.4	175.5	-78.9	-75.5	179.9	0	0	113.8	N244 V245 R271 L276 I495 I497	N244-M499 HydrophobicContact CB-CE 4.26Å; V245-M499 HydrophobicContact CG2-CE 3.5Å; R271-M499 PolarHBondContact NH1-SD 3.21Å; R271-M499 PolarHBondContact NH2-SD 3.1Å; L276-M499 HydrophobicContact CB-CE 3.96Å; I495-M499 HydrophobicContact CG2-CG 4.01Å; I495-M499 WeakPolarHBondContact O-CB 3.45Å; I495-M499 VanDerWaalsContact O-CG 3.31Å; I495-M499 WeakPolarHBondContact O-CG 3.36Å; I495-M499 PolarHBondContact O-N 3.02Å; I497-M499 VanDerWaalsContact C-N 3.29Å; I497-M499 PolarHBondContact O-N 3.43Å
500	K	94.7	Very high	95.7	Very high	172 Å²	172	32.7 Å²	32.7	75%	0.748	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-13.8	176.4	-70.3	168.9	-169.8	166.8	0	113.2	D496 I497 C498	D496-K500 WeakPolarHBondContact O-CD 3.4Å; D496-K500 WeakPolarHBondContact O-CE 3.3Å; D496-K500 VanDerWaalsContact O-CG 3.26Å; D496-K500 WeakPolarHBondContact O-CG 3.34Å; I497-K500 PolarHBondContact O-N 2.84Å; C498-K500 VanDerWaalsContact C-N 3.27Å; C498-K500 PolarHBondContact O-N 2.81Å
501	L	94.9	Very high	95.6	Very high	37 Å²	37	33.7 Å²	33.7	19%	0.194	17%	0.166	C	C	.	.	S	Bend	trans	-72.7	160.4	175.2	-60.9	175.1	0	0	0	109.8	K171 I497 C498 Y506 V519	K171-L501 HydrophobicContact CB-CD2 4.07Å; K171-L501 HydrophobicContact CD-CD2 4.41Å; K171-L501 HydrophobicContact CG-CD2 4.16Å; I497-L501 PolarHBondContact O-N 2.88Å; C498-L501 PolarHBondContact O-N 2.83Å; L501-Y506 HydrophobicContact CB-CE1 4.13Å; L501-Y506 HydrophobicContact CB-CE2 4Å; L501-Y506 HydrophobicContact CD1-CD1 3.7Å; L501-Y506 HydrophobicContact CD1-CD2 4.32Å; L501-Y506 HydrophobicContact CD1-CE1 3.66Å; L501-Y506 HydrophobicContact CD1-CE2 4.24Å; L501-Y506 HydrophobicContact CD1-CG 4.07Å; L501-Y506 HydrophobicContact CG-CE1 4.32Å; L501-V519 HydrophobicContact CD1-CG1 4.08Å
502	E	95	Very high	95.4	Very high	126 Å²	126	34.4 Å²	34.4	59%	0.589	17%	0.171	S	C	*	.	P	Polyproline II helix	trans	-67.4	171.2	171.9	59.7	-163.7	153.2	0	0	111.1	K171 R271 Y506	K171-E502 IonicContact NZ-OE1 3.29Å; K171-E502 PolarHBondContact NZ-OE1 2.77Å; R271-E502 WeakPolarHBondContact CG-O 3.34Å; E502-Y506 WeakPolarHBondContact CG-OH 3.33Å; E502-Y506 PolarHBondContact N-OH 3.03Å; E502-Y506 WeakPolarHBondContact O-CE2 3.43Å; E502-Y506 PolarHBondContact O-OH 3.38Å
503	E	95.2	Very high	95.2	Very high	129 Å²	129	37.4 Å²	37.4	60%	0.603	19%	0.188	S	C	*	.	S	Bend	trans	-68	143.7	173.2	-63.2	-174.2	-154.3	0	0	109.8	R271 G273	R271-E503 HydrophobicContact CG-CG 4.32Å; R271-E503 WeakPolarHBondContact O-CA 3.36Å; G273-E503 VanDerWaalsContact CA-CD 3.49Å; G273-E503 WeakPolarHBondContact CA-OE1 3.35Å; G273-E503 PolarHBondContact N-OE1 3.42Å; G273-E503 PolarHBondContact N-OE2 2.65Å
504	G	93.4	Very high	95.1	Very high	25 Å²	25	42.6 Å²	42.6	26%	0.258	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	143.6	-172	-177.4	0	0	0	0	0	114.4	R271	R271-G504 PolarHBondContact N-O 3.04Å; R271-G504 PolarHBondContact O-N 3.25Å
505	K	94.6	Very high	95.1	Very high	41 Å²	41	49.1 Å²	49.1	18%	0.178	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131	-176.1	-156.2	174.8	-170.8	167	0	111	V268 Q270 L522 T526	V268-K505 HydrophobicContact CG1-CG 4.17Å; Q270-K505 HydrophobicContact CG-CG 4.44Å; K505-L522 HydrophobicContact CB-CB 4.33Å; K505-L522 HydrophobicContact CD-CD1 4.42Å; K505-L522 HydrophobicContact CG-CD1 4.12Å; K505-L522 WeakPolarHBondContact O-CB 3.39Å; K505-L522 PolarHBondContact O-N 3.2Å; K505-T526 WeakPolarHBondContact CD-O 2.84Å; K505-T526 WeakPolarHBondContact CE-O 3.3Å; K505-T526 PolarHBondContact NZ-O 3.07Å
506	Y	96.4	Very high	95.1	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	161.5	-178.6	-60.3	-82.4	0	0	0	111.4	K171 V269 R271 L501 E502 Y520 S521	K171-Y506 HydrophobicContact CG-CE1 4.32Å; V269-Y506 PolarHBondContact N-O 2.82Å; V269-Y506 PolarHBondContact O-N 3.26Å; R271-Y506 HydrophobicContact CB-CE2 4.14Å; L501-Y506 HydrophobicContact CB-CE1 4.13Å; L501-Y506 HydrophobicContact CB-CE2 4Å; L501-Y506 HydrophobicContact CD1-CD1 3.7Å; L501-Y506 HydrophobicContact CD1-CD2 4.32Å; L501-Y506 HydrophobicContact CD1-CE1 3.66Å; L501-Y506 HydrophobicContact CD1-CE2 4.24Å; L501-Y506 HydrophobicContact CD1-CG 4.07Å; L501-Y506 HydrophobicContact CG-CE1 4.32Å; E502-Y506 WeakPolarHBondContact CG-OH 3.33Å; E502-Y506 PolarHBondContact N-OH 3.03Å; E502-Y506 WeakPolarHBondContact O-CE2 3.43Å; E502-Y506 PolarHBondContact O-OH 3.38Å; Y506-Y520 CarbonylContact C-O 3.48Å; Y506-Y520 WeakPolarHBondContact CA-O 3.45Å; Y506-Y520 WeakPolarHBondContact CB-O 3.33Å; Y506-Y520 WeakPolarHBondContact CD1-O 3.38Å; Y506-S521 WeakPolarHBondContact CE1-OG 3.45Å
507	L	96.3	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.8	175.4	-164.7	76.8	0	0	0	111.1	V162 W168 D266 V268 L509 V519 Y520 L522 F527	V162-L507 HydrophobicContact CG1-CD2 3.78Å; W168-L507 HydrophobicContact CE3-CD2 4.42Å; W168-L507 HydrophobicContact CH2-CD2 3.81Å; W168-L507 HydrophobicContact CZ3-CD2 3.51Å; D266-L507 HydrophobicContact CB-CD1 4.02Å; D266-L507 HydrophobicContact CB-CD2 4.3Å; D266-L507 HydrophobicContact CB-CG 4.25Å; V268-L507 HydrophobicContact CG2-CD1 3.89Å; L507-L509 HydrophobicContact CD2-CB 4.27Å; L507-V519 CarbonylContact O-C 3.49Å; L507-V519 WeakPolarHBondContact O-CA 3.06Å; L507-Y520 PolarHBondContact N-O 2.58Å; L507-Y520 PolarHBondContact O-N 2.83Å; L507-L522 HydrophobicContact CB-CD1 3.99Å; L507-L522 HydrophobicContact CB-CD2 4.01Å; L507-L522 HydrophobicContact CB-CG 4.1Å; L507-F527 HydrophobicContact CD1-CE2 4.25Å
508	I	97.5	Very high	95.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.1	167	-56.4	175.6	0	0	0	107.4	L255 W265 D266 I267 V269 F278 V494 R518 V519	L255-I508 HydrophobicContact CD2-CD1 4.2Å; L255-I508 HydrophobicContact CD2-CG2 4.42Å; W265-I508 HydrophobicContact CH2-CG2 4.15Å; W265-I508 HydrophobicContact CZ3-CG2 4.09Å; D266-I508 CarbonylContact C-O 3.59Å; D266-I508 VanDerWaalsContact CA-O 3.25Å; D266-I508 WeakPolarHBondContact CA-O 3.2Å; I267-I508 HydrophobicContact CB-CB 4.42Å; I267-I508 PolarHBondContact N-O 2.76Å; I267-I508 PolarHBondContact O-N 3.37Å; V269-I508 HydrophobicContact CG2-CD1 3.73Å; V269-I508 HydrophobicContact CG2-CG1 3.92Å; F278-I508 HydrophobicContact CD1-CD1 4.44Å; F278-I508 HydrophobicContact CE1-CD1 3.9Å; V494-I508 HydrophobicContact CG1-CD1 3.44Å; V494-I508 VanDerWaalsContact CG1-CD1 3.44Å; I508-R518 WeakPolarHBondContact CA-O 3.49Å; I508-V519 HydrophobicContact CG1-CG2 4.35Å
509	L	97	Very high	95.3	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.7	-178.7	174.9	65.1	0	0	0	110.5	S161 V162 V164 D266 L507 I517 R518 Y520	S161-L509 WeakPolarHBondContact OG-CD1 3.42Å; V162-L509 HydrophobicContact CG1-CD1 3.97Å; V162-L509 HydrophobicContact CG1-CD2 3.97Å; V164-L509 HydrophobicContact CG2-CD2 3.49Å; V164-L509 VanDerWaalsContact CG2-CD2 3.49Å; D266-L509 HydrophobicContact CB-CD1 4Å; L507-L509 HydrophobicContact CD2-CB 4.27Å; L509-I517 WeakPolarHBondContact O-CA 3.43Å; L509-R518 PolarHBondContact N-O 3.01Å; L509-R518 PolarHBondContact O-N 3.32Å; L509-Y520 HydrophobicContact CB-CD2 4.19Å; L509-Y520 HydrophobicContact CB-CE2 3.95Å; L509-Y520 HydrophobicContact CD2-CE2 3.95Å
510	K	96.9	Very high	95.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.017	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.4	168.4	-177.1	-97	171.3	-160.6	0	110.7	F176 V262 Y263 S264 W265 I517	F176-K510 HydrophobicContact CZ-CG 4.25Å; V262-K510 PolarHBondContact O-NZ 3.13Å; Y263-K510 VanDerWaalsContact C-NZ 3.26Å; Y263-K510 WeakPolarHBondContact O-CD 3.3Å; Y263-K510 WeakPolarHBondContact O-CE 3.43Å; Y263-K510 PolarHBondContact O-NZ 3.31Å; S264-K510 WeakPolarHBondContact CB-O 3.25Å; S264-K510 PolarHBondContact OG-O 2.92Å; W265-K510 HydrophobicContact CD2-CB 3.9Å; W265-K510 VanDerWaalsContact CE2-CB 3.45Å; W265-K510 HydrophobicContact CG-CB 4.14Å; W265-K510 HydrophobicContact CH2-CB 4.47Å; W265-K510 HydrophobicContact CZ2-CB 3.78Å; W265-K510 HydrophobicContact CZ2-CG 4.39Å; W265-K510 PolarHBondContact O-N 2.96Å; K510-I517 HydrophobicContact CB-CG2 3.88Å; K510-I517 HydrophobicContact CG-CG2 4.01Å
511	D	95.1	Very high	95.4	Very high	22 Å²	22	39.5 Å²	39.5	12%	0.118	20%	0.195	C	C	.	.			trans	-65.3	131.9	-177.3	-173.1	-57.1	0	0	0	111.2	N513 K514 V516 R518	D511-N513 VanDerWaalsContact C-N 3.27Å; D511-N513 PolarHBondContact O-N 3.25Å; D511-N513 WeakPolarHBondContact OD1-CA 3.27Å; D511-N513 PolarHBondContact OD1-N 3.18Å; D511-K514 HydrophobicContact CB-CB 4.11Å; D511-K514 VanDerWaalsContact O-O 3.14Å; D511-K514 PolarHBondContact OD1-N 3.26Å; D511-V516 HydrophobicContact CB-CG1 3.66Å; D511-V516 PolarHBondContact N-O 3.16Å; D511-R518 IonicContact OD2-CZ 3.65Å; D511-R518 IonicContact OD2-NH1 2.81Å; D511-R518 PolarHBondContact OD2-NH1 3.29Å; D511-R518 IonicContact OD2-NH2 2.74Å
512	P	92.4	Very high	95.3	Very high	15 Å²	15	38.1 Å²	38.1	10%	0.097	19%	0.188	C	C	.	.	S	Bend	trans	-64.8	-26.5	-178.6	22.3	-32.9	0	0	0	114.7	R158 D159	R158-P512 HydrophobicContact CB-CB 3.93Å; R158-P512 WeakPolarHBondContact O-CB 3.48Å; D159-P512 WeakPolarHBondContact O-CB 3.41Å
513	N	91.9	Very high	95	Very high	83 Å²	83	34.5 Å²	34.5	44%	0.444	18%	0.176	S	C	.	.	S	Bend	trans	-120.8	-13.3	-168.7	-65.7	-67.1	0	0	0	113.4	P157 R158 D511	P157-N513 WeakPolarHBondContact CA-OD1 3.38Å; R158-N513 PolarHBondContact N-OD1 3.31Å; R158-N513 PolarHBondContact O-ND2 3.34Å; D511-N513 VanDerWaalsContact C-N 3.27Å; D511-N513 PolarHBondContact O-N 3.25Å; D511-N513 WeakPolarHBondContact OD1-CA 3.27Å; D511-N513 PolarHBondContact OD1-N 3.18Å
514	K	93.3	Very high	94.2	Very high	129 Å²	129	35.5 Å²	35.5	56%	0.561	19%	0.185	S	C	*	.	S	Bend	trans	-120	151.7	176.6	-61	177.4	-174.4	170.4	0	111.4	D511 V516	D511-K514 HydrophobicContact CB-CB 4.11Å; D511-K514 VanDerWaalsContact O-O 3.14Å; D511-K514 PolarHBondContact OD1-N 3.26Å; K514-V516 HydrophobicContact CB-CG1 3.72Å; K514-V516 PolarHBondContact O-N 3.02Å
515	Q	94.6	Very high	93.4	Very high	138 Å²	138	36.7 Å²	36.7	65%	0.645	20%	0.197	S	C	*	.	S	Bend	trans	-84.2	64.7	176.7	-71.4	-177.3	-25.3	0	0	110.8	F176	F176-Q515 HydrophobicContact CB-CB 4.18Å; F176-Q515 VanDerWaalsContact CD1-C 3.45Å; F176-Q515 HydrophobicContact CD1-CB 4.39Å; F176-Q515 WeakPolarHBondContact CD1-O 3.34Å; F176-Q515 HydrophobicContact CD2-CB 3.63Å; F176-Q515 HydrophobicContact CD2-CG 3.95Å; F176-Q515 HydrophobicContact CE2-CB 4.05Å; F176-Q515 HydrophobicContact CE2-CG 4.15Å; F176-Q515 HydrophobicContact CG-CB 3.82Å; F176-Q515 WeakPolarHBondContact CG-O 3.48Å; F176-Q515 PolarHBondContact N-O 2.94Å
516	V	96.2	Very high	92.6	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	144.4	-174.1	70.1	0	0	0	0	110.4	E173 M174 D511 K514	E173-V516 HydrophobicContact CG-CG2 3.34Å; M174-V516 WeakPolarHBondContact O-CA 3.44Å; M174-V516 WeakPolarHBondContact O-CG2 3.45Å; D511-V516 HydrophobicContact CB-CG1 3.66Å; D511-V516 PolarHBondContact N-O 3.16Å; K514-V516 HydrophobicContact CB-CG1 3.72Å; K514-V516 PolarHBondContact O-N 3.02Å
517	I	97.2	Very high	91.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145	168.1	62.8	175.8	0	0	0	109.2	M174 F176 L179 W265 L509 K510	M174-I517 HydrophobicContact CB-CD1 4.34Å; M174-I517 HydrophobicContact CB-CG1 3.83Å; M174-I517 HydrophobicContact CE-CD1 3.74Å; M174-I517 HydrophobicContact CE-CG1 3.99Å; M174-I517 PolarHBondContact N-O 3.32Å; M174-I517 PolarHBondContact O-N 3.18Å; M174-I517 HydrophobicContact SD-CD1 4.26Å; F176-I517 HydrophobicContact CE1-CG2 4.11Å; L179-I517 HydrophobicContact CD1-CD1 3.7Å; L179-I517 HydrophobicContact CD1-CG1 4.02Å; W265-I517 HydrophobicContact CH2-CG2 4.33Å; W265-I517 HydrophobicContact CZ2-CG2 4.11Å; L509-I517 WeakPolarHBondContact O-CA 3.43Å; K510-I517 HydrophobicContact CB-CG2 3.88Å; K510-I517 HydrophobicContact CG-CG2 4.01Å
518	R	96.8	Very high	90	Very high	24 Å²	24	40 Å²	40	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.3	177.6	-68.9	-176.8	-174.4	88.6	13.6	110.2	E172 E173 I508 L509 D511 Y520	E172-R518 CarbonylContact O-C 3.28Å; E172-R518 VanDerWaalsContact O-CA 3.32Å; E172-R518 WeakPolarHBondContact O-CA 3.45Å; E173-R518 HydrophobicContact CB-CG 4.17Å; E173-R518 VanDerWaalsContact CD-NE 3.3Å; E173-R518 VanDerWaalsContact CD-NH2 3.35Å; E173-R518 HydrophobicContact CG-CG 3.94Å; E173-R518 IonicContact OE1-CZ 3.9Å; E173-R518 IonicContact OE1-NE 3.51Å; E173-R518 IonicContact OE1-NH2 2.69Å; E173-R518 PolarHBondContact OE1-NH2 2.78Å; E173-R518 IonicContact OE2-CZ 2.7Å; E173-R518 IonicContact OE2-NE 3.74Å; E173-R518 PolarHBondContact OE2-NE 3.5Å; E173-R518 IonicContact OE2-NH2 3.88Å; E173-R518 PolarHBondContact OE2-NH2 2.69Å; I508-R518 WeakPolarHBondContact CA-O 3.49Å; L509-R518 PolarHBondContact N-O 3.01Å; L509-R518 PolarHBondContact O-N 3.32Å; D511-R518 IonicContact OD2-CZ 3.65Å; D511-R518 IonicContact OD2-NH1 2.81Å; D511-R518 PolarHBondContact OD2-NH1 3.29Å; D511-R518 IonicContact OD2-NH2 2.74Å; R518-Y520 HydrophobicContact CB-CD2 4.13Å; R518-Y520 HydrophobicContact CB-CE2 3.51Å; R518-Y520 WeakPolarHBondContact CD-OH 3.49Å
519	V	97.3	Very high	87.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.3	170.8	-173	0	0	0	0	107.6	K171 E172 M174 L501 L507 I508	K171-V519 PolarHBondContact N-O 2.92Å; E172-V519 HydrophobicContact CB-CB 4.37Å; E172-V519 HydrophobicContact CB-CG2 4.35Å; E172-V519 PolarHBondContact N-O 2.9Å; E172-V519 PolarHBondContact O-N 3.35Å; M174-V519 HydrophobicContact CE-CG2 3.9Å; L501-V519 HydrophobicContact CD1-CG1 4.08Å; L507-V519 CarbonylContact O-C 3.49Å; L507-V519 WeakPolarHBondContact O-CA 3.06Å; I508-V519 HydrophobicContact CG1-CG2 4.35Å
520	Y	96.4	Very high	85	Confident	19 Å²	19	50.1 Å²	50.1	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.5	176	-65.3	-93.6	0	0	0	110.3	V164 W168 E169 V170 Y506 L507 L509 R518	V164-Y520 HydrophobicContact CG1-CE1 3.85Å; W168-Y520 HydrophobicContact CB-CD1 3.97Å; W168-Y520 HydrophobicContact CE3-CD1 4.29Å; W168-Y520 HydrophobicContact CE3-CG 4.23Å; E169-Y520 CarbonylContact O-C 3.6Å; E169-Y520 VanDerWaalsContact O-CA 3.22Å; E169-Y520 WeakPolarHBondContact O-CA 3.37Å; V170-Y520 HydrophobicContact CG2-CD1 3.85Å; V170-Y520 HydrophobicContact CG2-CE1 3.42Å; V170-Y520 VanDerWaalsContact CG2-CE1 3.42Å; Y506-Y520 CarbonylContact C-O 3.48Å; Y506-Y520 WeakPolarHBondContact CA-O 3.45Å; Y506-Y520 WeakPolarHBondContact CB-O 3.33Å; Y506-Y520 WeakPolarHBondContact CD1-O 3.38Å; L507-Y520 PolarHBondContact N-O 2.58Å; L507-Y520 PolarHBondContact O-N 2.83Å; L509-Y520 HydrophobicContact CB-CD2 4.19Å; L509-Y520 HydrophobicContact CB-CE2 3.95Å; L509-Y520 HydrophobicContact CD2-CE2 3.95Å; R518-Y520 HydrophobicContact CB-CD2 4.13Å; R518-Y520 HydrophobicContact CB-CE2 3.51Å; R518-Y520 WeakPolarHBondContact CD-OH 3.49Å
521	S	95.3	Very high	82.3	Confident	20 Å²	20	57.1 Å²	57.1	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.5	161.7	-145.1	0	0	0	0	108.6	E169 K171 Y506	E169-S521 PolarHBondContact N-O 2.9Å; E169-S521 PolarHBondContact O-N 3.48Å; K171-S521 VanDerWaalsContact CE-CB 3.48Å; K171-S521 WeakPolarHBondContact CE-OG 3.41Å; Y506-S521 WeakPolarHBondContact CE1-OG 3.45Å
522	L	92.5	Very high	79.9	Confident	9 Å²	9	59.3 Å²	59.3	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.6	177	-57.5	178.5	0	0	0	109.3	W168 K505 L507 T526 F527	W168-L522 HydrophobicContact CD2-CD2 3.51Å; W168-L522 HydrophobicContact CE3-CD2 3.91Å; W168-L522 HydrophobicContact CG-CD2 3.98Å; W168-L522 HydrophobicContact CH2-CD2 4.06Å; W168-L522 HydrophobicContact CZ2-CD2 3.66Å; W168-L522 HydrophobicContact CZ3-CD2 4.17Å; K505-L522 HydrophobicContact CB-CB 4.33Å; K505-L522 HydrophobicContact CD-CD1 4.42Å; K505-L522 HydrophobicContact CG-CD1 4.12Å; K505-L522 WeakPolarHBondContact O-CB 3.39Å; K505-L522 PolarHBondContact O-N 3.2Å; L507-L522 HydrophobicContact CB-CD1 3.99Å; L507-L522 HydrophobicContact CB-CD2 4.01Å; L507-L522 HydrophobicContact CB-CG 4.1Å; L522-T526 HydrophobicContact CB-CG2 4.42Å; L522-T526 HydrophobicContact CD1-CG2 4.34Å; L522-T526 HydrophobicContact CD2-CG2 4.34Å; L522-F527 HydrophobicContact CD1-CD2 3.87Å; L522-F527 HydrophobicContact CD1-CE2 3.62Å; L522-F527 HydrophobicContact CD2-CE2 4.49Å
523	P	89.4	Confident	77.2	Confident	50 Å²	50	63.3 Å²	63.3	33%	0.325	33%	0.331	S	S	.	.			trans	-61.3	153	165.7	-20.5	32.2	0	0	0	111.8	D167 T526	D167-P523 HydrophobicContact CB-CG 4.49Å; P523-T526 VanDerWaalsContact O-CB 3.27Å; P523-T526 WeakPolarHBondContact O-CB 3.37Å; P523-T526 PolarHBondContact O-N 2.94Å; P523-T526 VanDerWaalsContact O-N 3.17Å; P523-T526 PolarHBondContact O-OG1 3.25Å
524	D	78.8	Confident	74.6	Confident	150 Å²	150	65.8 Å²	65.8	80%	0.802	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	145.2	173.7	-58.1	-28.4	0	0	0	110.7	T526	D524-T526 PolarHBondContact O-N 3.4Å
525	G	75.9	Confident	72.2	Confident	50 Å²	50	64.6 Å²	64.6	52%	0.515	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	0.3	-172.6	0	0	0	0	0	115.7	F527 S528	G525-F527 PolarHBondContact O-N 2.83Å; G525-S528 VanDerWaalsContact CA-OG 3.3Å; G525-S528 WeakPolarHBondContact CA-OG 3.4Å; G525-S528 PolarHBondContact O-N 3.17Å; G525-S528 PolarHBondContact O-OG 3.18Å
526	T	77.9	Confident	69.6	Low	11 Å²	11	64.1 Å²	64.1	7%	0.067	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	116.3	174.7	-55.5	0	0	0	0	110	W168 K505 L522 P523 D524	W168-T526 HydrophobicContact CZ2-CG2 4.05Å; K505-T526 WeakPolarHBondContact CD-O 2.84Å; K505-T526 WeakPolarHBondContact CE-O 3.3Å; K505-T526 PolarHBondContact NZ-O 3.07Å; L522-T526 HydrophobicContact CB-CG2 4.42Å; L522-T526 HydrophobicContact CD1-CG2 4.34Å; L522-T526 HydrophobicContact CD2-CG2 4.34Å; P523-T526 VanDerWaalsContact O-CB 3.27Å; P523-T526 WeakPolarHBondContact O-CB 3.37Å; P523-T526 PolarHBondContact O-N 2.94Å; P523-T526 VanDerWaalsContact O-N 3.17Å; P523-T526 PolarHBondContact O-OG1 3.25Å; D524-T526 PolarHBondContact O-N 3.4Å
527	F	73.5	Confident	66.9	Low	69 Å²	69	70.1 Å²	70.1	30%	0.303	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	14.1	-174.4	-45.8	-69.6	0	0	0	115.8	V162 W168 R281 L507 L522 G525	V162-F527 HydrophobicContact CG2-CE1 4Å; V162-F527 HydrophobicContact CG2-CZ 3.77Å; W168-F527 HydrophobicContact CH2-CE2 4.35Å; W168-F527 AromaticContact CH2-CZ 3.87Å; W168-F527 HydrophobicContact CH2-CZ 3.87Å; W168-F527 HydrophobicContact CZ2-CE2 4.28Å; W168-F527 AromaticContact CZ2-CZ 3.95Å; W168-F527 HydrophobicContact CZ2-CZ 3.95Å; R281-F527 VanDerWaalsContact CD-CD1 3.49Å; R281-F527 VanDerWaalsContact CD-CE1 3.48Å; R281-F527 HydrophobicContact CG-CD1 4.47Å; L507-F527 HydrophobicContact CD1-CE2 4.25Å; L522-F527 HydrophobicContact CD1-CD2 3.87Å; L522-F527 HydrophobicContact CD1-CE2 3.62Å; L522-F527 HydrophobicContact CD2-CE2 4.49Å; G525-F527 PolarHBondContact O-N 2.83Å
528	S	64.2	Low	64.3	Low	32 Å²	32	76.4 Å²	76.4	22%	0.224	40%	0.395	C	S	.	.			trans	-69.1	140	158.2	43.4	0	0	0	0	108.3	G525	G525-S528 VanDerWaalsContact CA-OG 3.3Å; G525-S528 WeakPolarHBondContact CA-OG 3.4Å; G525-S528 PolarHBondContact O-N 3.17Å; G525-S528 PolarHBondContact O-OG 3.18Å
529	S	49.4	Very low	61.8	Low	50 Å²	50	82.2 Å²	82.2	35%	0.35	42%	0.423	S	S	.	.			trans	-88.9	159.2	165.7	63.3	0	0	0	0	109.4	E531 D532 E533	S529-E531 PolarHBondContact O-N 3.38Å; S529-E531 VanDerWaalsContact O-N 3.11Å; S529-D532 WeakPolarHBondContact CB-OD2 3.4Å; S529-D532 PolarHBondContact N-OD2 2.81Å; S529-D532 PolarHBondContact O-N 3.18Å; S529-D532 VanDerWaalsContact OG-CG 3.3Å; S529-D532 PolarHBondContact OG-OD2 2.99Å; S529-E533 PolarHBondContact O-N 3.08Å
530	E	39.1	Very low	59.3	Low	169 Å²	169	89 Å²	89	79%	0.79	46%	0.455	S	S	*	.	H	α-helix	trans	-58.9	-20.4	176.3	-67.2	174.4	176.4	0	0	112
531	E	41.6	Very low	56.9	Low	151 Å²	151	95 Å²	95	71%	0.706	48%	0.483	S	S	*	.	H	α-helix	trans	-75.8	-31.8	172.7	-70.2	177	172.6	0	0	112.5	S529 E533 E534 D535	S529-E531 PolarHBondContact O-N 3.38Å; S529-E531 VanDerWaalsContact O-N 3.11Å; E531-E533 VanDerWaalsContact C-N 3.32Å; E531-E534 PolarHBondContact O-N 3.34Å; E531-D535 PolarHBondContact O-N 3.06Å
532	D	43.9	Very low	54.6	Low	68 Å²	68	100.9 Å²	100.9	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-74.5	-25.1	175.7	-56	-59.3	0	0	0	111.8	S529 E536	S529-D532 WeakPolarHBondContact CB-OD2 3.4Å; S529-D532 PolarHBondContact N-OD2 2.81Å; S529-D532 PolarHBondContact O-N 3.18Å; S529-D532 VanDerWaalsContact OG-CG 3.3Å; S529-D532 PolarHBondContact OG-OD2 2.99Å; D532-E536 PolarHBondContact O-N 3.38Å; D532-E536 VanDerWaalsContact O-N 3.14Å
533	E	37	Very low	52.4	Low	100 Å²	100	107.7 Å²	107.7	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-72.2	-32.3	174.9	-70.6	179.7	-179.4	0	0	111.5	S529 E531 E537	S529-E533 PolarHBondContact O-N 3.08Å; E531-E533 VanDerWaalsContact C-N 3.32Å; E533-E537 WeakPolarHBondContact O-CG 3.46Å; E533-E537 PolarHBondContact O-N 2.75Å; E533-E537 VanDerWaalsContact O-N 3.07Å
534	E	37.4	Very low	50.4	Low	135 Å²	135	112.6 Å²	112.6	63%	0.631	56%	0.559	S	S	*	*	H	α-helix	trans	-69.5	-39	173.7	-73.5	-176.4	171.2	0	0	111.8	E531 E537 E538	E531-E534 PolarHBondContact O-N 3.34Å; E534-E537 PolarHBondContact O-N 3.12Å; E534-E538 PolarHBondContact O-N 3.38Å
535	D	41.4	Very low	49.1	Very low	103 Å²	103	112.9 Å²	112.9	55%	0.551	56%	0.555	S	S	*	*	H	α-helix	trans	-68.9	-35.3	176	-77.7	-15.1	0	0	0	112.2	E531 E539	E531-D535 PolarHBondContact O-N 3.06Å; D535-E539 PolarHBondContact O-N 3.38Å; D535-E539 VanDerWaalsContact O-N 3.15Å
536	E	39.9	Very low	47.7	Very low	128 Å²	128	119.1 Å²	119.1	60%	0.598	57%	0.571	S	S	*	*	H	α-helix	trans	-69.4	-36.6	173.6	-78.3	-177.7	-180	0	0	111.9	D532 E539 E540	D532-E536 PolarHBondContact O-N 3.38Å; D532-E536 VanDerWaalsContact O-N 3.14Å; E536-E539 PolarHBondContact O-N 3.41Å; E536-E540 PolarHBondContact O-N 3.35Å; E536-E540 VanDerWaalsContact O-N 3.11Å
537	E	40.3	Very low	46	Very low	134 Å²	134	127.3 Å²	127.3	63%	0.626	61%	0.609	S	S	*	*	H	α-helix	trans	-66.8	-37	173.6	-77.3	-175.2	176.3	0	0	112.2	E533 E534 E541	E533-E537 WeakPolarHBondContact O-CG 3.46Å; E533-E537 PolarHBondContact O-N 2.75Å; E533-E537 VanDerWaalsContact O-N 3.07Å; E534-E537 PolarHBondContact O-N 3.12Å; E537-E541 PolarHBondContact O-N 2.75Å; E537-E541 VanDerWaalsContact O-N 3.1Å
538	E	43.2	Very low	44.3	Very low	132 Å²	132	132.4 Å²	132.4	62%	0.617	65%	0.645	S	S	*	*	H	α-helix	trans	-68.4	-38	175.1	-75.1	-169	174.5	0	0	112.7	E534 E542	E534-E538 PolarHBondContact O-N 3.38Å; E538-E542 PolarHBondContact O-N 3.21Å; E538-E542 VanDerWaalsContact O-N 3.14Å
539	E	43.7	Very low	43.4	Very low	147 Å²	147	137.4 Å²	137.4	69%	0.687	67%	0.666	S	S	*	*	H	α-helix	trans	-69.7	-35.4	175.6	-75.8	-167.5	169	0	0	112.5	D535 E536 E542 E543	D535-E539 PolarHBondContact O-N 3.38Å; D535-E539 VanDerWaalsContact O-N 3.15Å; E536-E539 PolarHBondContact O-N 3.41Å; E539-E542 PolarHBondContact O-N 3.36Å; E539-E543 PolarHBondContact O-N 3.49Å
540	E	45.2	Very low	43	Very low	143 Å²	143	142 Å²	142	67%	0.668	68%	0.683	S	S	*	*	H	α-helix	trans	-68.8	-36.1	174.1	-75.4	-168.1	169.5	0	0	112.4	E536 E543 E544	E536-E540 PolarHBondContact O-N 3.35Å; E536-E540 VanDerWaalsContact O-N 3.11Å; E540-E543 PolarHBondContact O-N 3.26Å; E540-E544 PolarHBondContact O-N 3.47Å; E540-E544 VanDerWaalsContact O-N 3.17Å
541	E	46.3	Very low	43.3	Very low	143 Å²	143	140.5 Å²	140.5	67%	0.668	68%	0.677	S	S	*	*	H	α-helix	trans	-67.7	-36.6	174.2	-76.4	-167.1	168.8	0	0	112.4	E537 E544 E545	E537-E541 PolarHBondContact O-N 2.75Å; E537-E541 VanDerWaalsContact O-N 3.1Å; E541-E544 PolarHBondContact O-N 3.29Å; E541-E545 PolarHBondContact O-N 2.74Å; E541-E545 VanDerWaalsContact O-N 3.15Å
542	E	45.9	Very low	43.4	Very low	145 Å²	145	139.9 Å²	139.9	68%	0.678	68%	0.675	S	S	*	*	H	α-helix	trans	-68.4	-35.5	175.2	-76	-163.8	165.7	0	0	112.7	E538 E539 E545 E546	E538-E542 PolarHBondContact O-N 3.21Å; E538-E542 VanDerWaalsContact O-N 3.14Å; E539-E542 PolarHBondContact O-N 3.36Å; E542-E545 PolarHBondContact O-N 2.75Å; E542-E546 PolarHBondContact O-N 2.8Å
543	E	45.5	Very low	43.3	Very low	151 Å²	151	144.4 Å²	144.4	71%	0.706	70%	0.695	S	S	*	*	H	α-helix	trans	-70.2	-34.7	175	-75	-162.9	164.4	0	0	112.6	E539 E540 E546 E547	E539-E543 PolarHBondContact O-N 3.49Å; E540-E543 PolarHBondContact O-N 3.26Å; E543-E546 PolarHBondContact O-N 3.29Å; E543-E547 PolarHBondContact O-N 3.38Å
544	E	48.8	Very low	43.7	Very low	154 Å²	154	147.3 Å²	147.3	72%	0.72	71%	0.71	S	S	*	*	H	α-helix	trans	-70.7	-30.5	174.4	-75.4	-160.9	161.7	0	0	113.1	E540 E541 T548	E540-E544 PolarHBondContact O-N 3.47Å; E540-E544 VanDerWaalsContact O-N 3.17Å; E541-E544 PolarHBondContact O-N 3.29Å; E544-T548 PolarHBondContact O-OG1 3.48Å; E544-T548 VanDerWaalsContact O-OG1 3.06Å
545	E	50.4	Low	44.2	Very low	156 Å²	156	148.2 Å²	148.2	73%	0.729	72%	0.716	S	S	*	*	H	α-helix	trans	-75	-25.7	174.3	-76	-159.5	161.7	0	0	113.5	E541 E542	E541-E545 PolarHBondContact O-N 2.74Å; E541-E545 VanDerWaalsContact O-N 3.15Å; E542-E545 PolarHBondContact O-N 2.75Å
546	E	46.9	Very low	44.4	Very low	180 Å²	180	151.7 Å²	151.7	84%	0.841	73%	0.729	S	S	*	*	H	α-helix	trans	-80.6	-19.9	173.1	-78.1	-157	157.5	0	0	113.7	E542 E543	E542-E546 PolarHBondContact O-N 2.8Å; E543-E546 PolarHBondContact O-N 3.29Å
547	E	42	Very low	44.8	Very low	184 Å²	184	153.7 Å²	153.7	86%	0.86	74%	0.739	S	S	*	*			trans	-91.5	-0.8	175.4	-73.8	-154.7	153.6	0	0	114.9	E543	E543-E547 PolarHBondContact O-N 3.38Å
548	T	39.2	Very low	45.2	Very low	175 Å²	175	155.5 Å²	155.5	100%	1.074	75%	0.75	S	S	*	*			trans	-108.2	0	174.5	41.6	0	0	0	0	114.2	E544	E544-T548 PolarHBondContact O-OG1 3.48Å; E544-T548 VanDerWaalsContact O-OG1 3.06Å

Retrieved 548 of 548 residues in 311.6 ms (Link to these results)

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