A0A087XP96_POEFO Loading...

Eukaryotic translation initiation factor 3 subunit D

mRNA cap-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. In the eIF-3 complex, eif3d specifically recognizes and binds the 7-methylguanosine cap of a subset of mRNAs.

AlphaFold DB , UniProt , Accession A0A087XP96, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3D, Length 552 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.9	Low	83.1	Confident	239 Å²	239	142.5 Å²	142.5	100%	1.177	77%	0.772	S	S	*	*				0	148.8	0	-69.7	173.8	176.8	0	0	108.5
2	A	61.6	Low	83.9	Confident	107 Å²	107	133.7 Å²	133.7	88%	0.884	72%	0.724	S	S	*	*			trans	-71.7	127.6	169.6	0	0	0	0	0	109.1
3	K	74.9	Confident	84.5	Confident	185 Å²	185	132.9 Å²	132.9	80%	0.804	73%	0.73	S	S	*	*			trans	-86.4	134.1	174.2	-70.8	-176.5	175.2	-178.3	0	109.3
4	F	86.9	Confident	85	Confident	178 Å²	178	132 Å²	132	78%	0.781	74%	0.738	S	S	*	*			trans	-123.8	119.6	168.2	176.5	-97.1	0	0	0	108
5	H	91.2	Very high	85.4	Confident	148 Å²	148	125 Å²	125	69%	0.685	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-96.4	134.6	175.1	-64.6	-93.2	0	0	0	108.5
6	A	90.9	Very high	85.7	Confident	86 Å²	86	134.2 Å²	134.2	71%	0.711	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-63.6	130	178	0	0	0	0	0	109.8
7	P	91.2	Very high	85.9	Confident	93 Å²	93	128.4 Å²	128.4	60%	0.604	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-69	135.5	177.9	28.5	-34	0	0	0	110.3	I9	P7-I9 PolarHBondContact O-N 3.22Å
8	V	88.8	Confident	86.1	Confident	150 Å²	150	127.3 Å²	127.3	91%	0.909	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-71	127.7	173.9	-177.3	0	0	0	0	109.1
9	I	90.1	Very high	86.3	Confident	142 Å²	142	124.2 Å²	124.2	73%	0.728	69%	0.694	S	S	*	*			trans	-125.7	137.6	178.8	-59.5	177.2	0	0	0	108.2	P7	P7-I9 PolarHBondContact O-N 3.22Å
10	Q	89.5	Confident	86.4	Confident	108 Å²	108	121.3 Å²	121.3	51%	0.505	69%	0.686	S	S	.	*			trans	-70	138.7	176.5	72.6	-168.9	-28.5	0	0	111.3
11	D	91.1	Very high	86.5	Confident	131 Å²	131	120 Å²	120	70%	0.701	68%	0.681	S	S	*	*			trans	-94.7	136.6	171	-171.4	10.9	0	0	0	110.4	C19	D11-C19 PolarHBondContact O-SG 3.03Å
12	N	92.6	Very high	88.1	Confident	37 Å²	37	112.8 Å²	112.8	20%	0.198	65%	0.652	C	S	.	*			trans	-136.5	90.6	177.6	-172.6	-8.7	0	0	0	110.5	S14 G15 G17 C19	N12-S14 PolarHBondContact O-N 3.18Å; N12-S14 VanDerWaalsContact O-N 3.13Å; N12-S14 PolarHBondContact OD1-N 3.18Å; N12-S14 PolarHBondContact OD1-OG 3.13Å; N12-G15 VanDerWaalsContact CB-O 3.3Å; N12-G15 WeakPolarHBondContact CB-O 3.3Å; N12-G15 PolarHBondContact ND2-O 3.46Å; N12-G15 VanDerWaalsContact O-O 3.07Å; N12-G15 PolarHBondContact OD1-N 2.85Å; N12-G17 PolarHBondContact ND2-O 3.25Å; N12-C19 HydrophobicContact CB-CB 3.95Å
13	P	91.6	Very high	89.3	Confident	124 Å²	124	113.5 Å²	113.5	81%	0.805	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-14	-179.1	-24.7	35.4	0	0	0	115.1
14	S	92	Very high	90	Very high	120 Å²	120	113 Å²	113	84%	0.839	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-3.7	-172.5	67.4	0	0	0	0	114.7	N12	N12-S14 PolarHBondContact O-N 3.18Å; N12-S14 VanDerWaalsContact O-N 3.13Å; N12-S14 PolarHBondContact OD1-N 3.18Å; N12-S14 PolarHBondContact OD1-OG 3.13Å
15	G	90.5	Very high	90.2	Very high	27 Å²	27	109.2 Å²	109.2	28%	0.278	62%	0.618	S	S	.	*			trans	178.6	178.7	176.4	0	0	0	0	0	114	N12	N12-G15 VanDerWaalsContact CB-O 3.3Å; N12-G15 WeakPolarHBondContact CB-O 3.3Å; N12-G15 PolarHBondContact ND2-O 3.46Å; N12-G15 VanDerWaalsContact O-O 3.07Å; N12-G15 PolarHBondContact OD1-N 2.85Å
16	W	90.1	Very high	90.1	Very high	272 Å²	272	107.6 Å²	107.6	100%	1.03	61%	0.609	S	S	*	*	S	Bend	trans	-95.2	7.7	-176.3	-63.4	-84.6	0	0	0	114.6
17	G	89.8	Confident	90.2	Very high	36 Å²	36	110.1 Å²	110.1	37%	0.371	61%	0.61	S	S	.	*	S	Bend	trans	-97.8	179	-176.9	0	0	0	0	0	114	N12 C19	N12-G17 PolarHBondContact ND2-O 3.25Å; G17-C19 PolarHBondContact O-N 3.12Å
18	P	89.3	Confident	90.1	Very high	109 Å²	109	110.9 Å²	110.9	71%	0.708	61%	0.607	S	S	*	*			trans	-60.9	133.7	171.3	27.6	-34.2	0	0	0	111
19	C	89.9	Confident	90.3	Very high	68 Å²	68	107.1 Å²	107.1	46%	0.459	59%	0.586	S	S	.	*			trans	-103.2	-17.3	178.8	55.5	0	0	0	0	113.3	D11 N12 G17	D11-C19 PolarHBondContact O-SG 3.03Å; N12-C19 HydrophobicContact CB-CB 3.95Å; G17-C19 PolarHBondContact O-N 3.12Å
20	A	87.9	Confident	90.3	Very high	65 Å²	65	108.3 Å²	108.3	54%	0.537	58%	0.582	S	S	.	*	S	Bend	trans	-132.3	156.8	178.3	0	0	0	0	0	111.8
21	V	89.4	Confident	90.4	Very high	96 Å²	96	105.9 Å²	105.9	58%	0.582	57%	0.571	S	S	*	*			trans	-72.8	137.5	164.7	178.8	0	0	0	0	107.9	E23	V21-E23 PolarHBondContact O-N 2.61Å
22	P	90.6	Very high	90.4	Very high	87 Å²	87	101.4 Å²	101.4	57%	0.565	55%	0.549	S	S	*	.			trans	-58.6	126.5	175.5	-23.8	33.9	0	0	0	111.2	K24 F25	P22-K24 PolarHBondContact O-N 3.4Å; P22-F25 PolarHBondContact O-N 2.71Å
23	E	87.3	Confident	90.3	Very high	121 Å²	121	106.6 Å²	106.6	57%	0.565	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-49.9	-39.3	-172.3	-157.7	68.4	-173.2	0	0	112.6	V21 F25 K26	V21-E23 PolarHBondContact O-N 2.61Å; E23-F25 PolarHBondContact O-N 3.27Å; E23-K26 WeakPolarHBondContact O-CB 3.27Å; E23-K26 PolarHBondContact O-N 3.06Å; E23-K26 IonicContact OE1-NZ 2.61Å; E23-K26 PolarHBondContact OE1-NZ 2.91Å; E23-K26 WeakPolarHBondContact OE2-CD 3.24Å; E23-K26 IonicContact OE2-NZ 3.03Å; E23-K26 PolarHBondContact OE2-NZ 3.02Å
24	K	89.3	Confident	90.2	Very high	174 Å²	174	102.9 Å²	102.9	76%	0.757	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-50.6	-23.9	175.5	-178.7	165.5	-173.9	160.3	0	115.9	P22	P22-K24 PolarHBondContact O-N 3.4Å
25	F	90.9	Very high	90.1	Very high	100 Å²	100	106.4 Å²	106.4	44%	0.439	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-123.2	9.5	-178.1	-59	-61.9	0	0	0	113.4	P22 E23	P22-F25 PolarHBondContact O-N 2.71Å; E23-F25 PolarHBondContact O-N 3.27Å
26	K	89.6	Confident	90	Very high	113 Å²	113	108.7 Å²	108.7	49%	0.491	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	-45.9	-175.9	178.5	-178.7	166	-168.8	0	111.9	E23 M28	E23-K26 WeakPolarHBondContact O-CB 3.27Å; E23-K26 PolarHBondContact O-N 3.06Å; E23-K26 IonicContact OE1-NZ 2.61Å; E23-K26 PolarHBondContact OE1-NZ 2.91Å; E23-K26 WeakPolarHBondContact OE2-CD 3.24Å; E23-K26 IonicContact OE2-NZ 3.03Å; E23-K26 PolarHBondContact OE2-NZ 3.02Å; K26-M28 VanDerWaalsContact C-N 3.31Å; K26-M28 PolarHBondContact O-N 2.95Å
27	D	92.1	Very high	89.9	Confident	140 Å²	140	98.2 Å²	98.2	75%	0.749	54%	0.535	S	S	*	.	S	Bend	trans	-94.5	17.4	-176	-49.5	-56.4	0	0	0	112.9
28	M	90.4	Very high	89.8	Confident	108 Å²	108	103.9 Å²	103.9	53%	0.532	55%	0.545	S	S	.	.	S	Bend	trans	-131.3	123	-176.5	-177.3	178.4	-70.3	0	0	110.8	K26 Y30 Y69	K26-M28 VanDerWaalsContact C-N 3.31Å; K26-M28 PolarHBondContact O-N 2.95Å; M28-Y30 PolarHBondContact O-N 3.04Å; M28-Y69 WeakPolarHBondContact CG-OH 3.16Å
29	P	92.4	Very high	89.8	Confident	71 Å²	71	106.2 Å²	106.2	46%	0.461	55%	0.551	S	S	.	*			trans	-52.9	113	173.7	-28.5	34.4	0	0	0	112.7	Q31 Q68 Y69	P29-Q31 PolarHBondContact O-N 2.93Å; P29-Q31 VanDerWaalsContact O-N 3.16Å; P29-Q68 HydrophobicContact CB-CB 4.36Å; P29-Y69 HydrophobicContact CB-CE1 4.37Å; P29-Y69 HydrophobicContact CB-CE2 4.3Å; P29-Y69 WeakPolarHBondContact CD-OH 3.21Å; P29-Y69 HydrophobicContact CG-CE1 4.38Å; P29-Y69 WeakPolarHBondContact O-CE2 3.34Å; P29-Y69 PolarHBondContact O-OH 3.16Å
30	Y	90	Very high	89.7	Confident	167 Å²	167	105.8 Å²	105.8	66%	0.655	56%	0.558	S	S	*	*			trans	-67.4	118.3	-175.5	-179.3	-96.9	0	0	0	111.9	M28 P32	M28-Y30 PolarHBondContact O-N 3.04Å; Y30-P32 HydrophobicContact CE1-CB 4.32Å; Y30-P32 HydrophobicContact CE1-CG 4.47Å
31	Q	91.1	Very high	89.8	Confident	58 Å²	58	109.1 Å²	109.1	27%	0.271	56%	0.56	S	S	.	*			trans	-127.2	120.8	168.3	-172.5	163.7	-53.1	0	0	110.5	P29 G66 Y69	P29-Q31 PolarHBondContact O-N 2.93Å; P29-Q31 VanDerWaalsContact O-N 3.16Å; Q31-G66 PolarHBondContact NE2-O 2.83Å; Q31-G66 VanDerWaalsContact NE2-O 3.17Å; Q31-G66 PolarHBondContact OE1-O 3.26Å; Q31-Y69 HydrophobicContact CB-CD2 4.02Å; Q31-Y69 HydrophobicContact CB-CE2 4Å
32	P	90.9	Very high	89.8	Confident	37 Å²	37	108.6 Å²	108.6	24%	0.24	56%	0.557	C	S	.	*			trans	-66.9	145.1	177	27	-34.7	0	0	0	111.6	Y30 G64	Y30-P32 HydrophobicContact CE1-CB 4.32Å; Y30-P32 HydrophobicContact CE1-CG 4.47Å; P32-G64 VanDerWaalsContact O-O 3.13Å
33	F	90.4	Very high	89.7	Confident	146 Å²	146	108.9 Å²	108.9	64%	0.64	57%	0.567	S	S	*	*			trans	-153.2	164.3	178.8	71.9	-78.3	0	0	0	112.2	K35	F33-K35 HydrophobicContact CD2-CG 4.3Å; F33-K35 HydrophobicContact CE2-CD 4.47Å; F33-K35 HydrophobicContact CE2-CG 3.62Å; F33-K35 HydrophobicContact CZ-CG 4.47Å
34	S	89.9	Confident	89.7	Confident	46 Å²	46	105.1 Å²	105.1	32%	0.322	55%	0.55	S	S	.	*			trans	-116.1	125.2	174.5	159.8	0	0	0	0	110.5	G36 D37	S34-G36 PolarHBondContact O-N 3.17Å; S34-G36 PolarHBondContact OG-N 3.43Å; S34-D37 WeakPolarHBondContact CB-OD1 3.38Å; S34-D37 PolarHBondContact O-N 3.42Å; S34-D37 PolarHBondContact OG-OD1 3.45Å
35	K	89.5	Confident	89.4	Confident	194 Å²	194	108.4 Å²	108.4	84%	0.843	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-14.2	176.2	-71.4	-173.9	177.5	-172.5	0	113.8	F33	F33-K35 HydrophobicContact CD2-CG 4.3Å; F33-K35 HydrophobicContact CE2-CD 4.47Å; F33-K35 HydrophobicContact CE2-CG 3.62Å; F33-K35 HydrophobicContact CZ-CG 4.47Å
36	G	88.4	Confident	89.2	Confident	74 Å²	74	108.1 Å²	108.1	76%	0.763	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-5	178.8	0	0	0	0	0	114	S34	S34-G36 PolarHBondContact O-N 3.17Å; S34-G36 PolarHBondContact OG-N 3.43Å
37	D	87.9	Confident	88.9	Confident	53 Å²	53	105.4 Å²	105.4	28%	0.283	57%	0.569	S	S	.	*	S	Bend	trans	-73.6	148	-175.2	-69.7	9.7	0	0	0	111.4	S34 L39 S61	S34-D37 WeakPolarHBondContact CB-OD1 3.38Å; S34-D37 PolarHBondContact O-N 3.42Å; S34-D37 PolarHBondContact OG-OD1 3.45Å; D37-L39 PolarHBondContact O-N 2.91Å; D37-S61 WeakPolarHBondContact OD2-CA 3.26Å; D37-S61 WeakPolarHBondContact OD2-CB 3.42Å; D37-S61 PolarHBondContact OD2-OG 2.98Å
38	R	87.7	Confident	88.4	Confident	155 Å²	155	101.6 Å²	101.6	59%	0.585	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-72.4	120.9	-176.8	-176	-176.9	-179.8	128.8	5.2	111	Y59	R38-Y59 HydrophobicContact CG-CD1 4.31Å; R38-Y59 HydrophobicContact CG-CE1 4.07Å; R38-Y59 WeakPolarHBondContact O-CD1 3.45Å
39	L	89.8	Confident	87.9	Confident	157 Å²	157	100.2 Å²	100.2	82%	0.822	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-87	165.6	175.4	-54.9	-179.1	0	0	0	112.7	D37 Y59	D37-L39 PolarHBondContact O-N 2.91Å; L39-Y59 WeakPolarHBondContact O-CE1 3.14Å
40	G	88.4	Confident	87.1	Confident	59 Å²	59	99.5 Å²	99.5	61%	0.608	54%	0.543	S	S	*	.			trans	92.8	50.9	174.3	0	0	0	0	0	115.2	Y59	G40-Y59 WeakPolarHBondContact O-CE1 3.35Å; G40-Y59 VanDerWaalsContact O-CZ 3.31Å; G40-Y59 PolarHBondContact O-OH 3.34Å; G40-Y59 VanDerWaalsContact O-OH 3.08Å
41	K	88.7	Confident	86.2	Confident	135 Å²	135	100.2 Å²	100.2	59%	0.587	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-92.5	134.7	166.8	-174.9	-175.9	174.9	-171.3	0	109.2	Y59	K41-Y59 HydrophobicContact CB-CD1 3.89Å; K41-Y59 HydrophobicContact CB-CD2 4.23Å; K41-Y59 HydrophobicContact CB-CE1 4.34Å; K41-Y59 HydrophobicContact CB-CG 3.81Å; K41-Y59 HydrophobicContact CG-CD2 4.32Å; K41-Y59 HydrophobicContact CG-CG 4.27Å
42	V	89.6	Confident	85.4	Confident	85 Å²	85	99.9 Å²	99.9	52%	0.515	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-89.5	143.7	178.5	-178	0	0	0	0	109.6	Y50	V42-Y50 HydrophobicContact CB-CE2 4.3Å; V42-Y50 PolarHBondContact N-OH 2.87Å; V42-Y50 WeakPolarHBondContact O-CE2 3.17Å
43	A	89.4	Confident	84.6	Confident	94 Å²	94	105.9 Å²	105.9	78%	0.777	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-94.8	131.6	165	0	0	0	0	0	109.1
44	D	86.3	Confident	84	Confident	41 Å²	41	107.5 Å²	107.5	22%	0.219	58%	0.577	C	S	.	*			trans	-141	103	-175.9	174.6	9.3	0	0	0	109.7	T46 G47 A48 T49	D44-T46 PolarHBondContact O-N 2.77Å; D44-T46 WeakPolarHBondContact OD1-CA 3.1Å; D44-T46 WeakPolarHBondContact OD1-CB 3.45Å; D44-T46 PolarHBondContact OD1-N 3.02Å; D44-T46 PolarHBondContact OD1-OG1 3.16Å; D44-T46 PolarHBondContact OD2-OG1 3.39Å; D44-G47 PolarHBondContact O-N 3.26Å; D44-G47 VanDerWaalsContact O-N 3.13Å; D44-G47 PolarHBondContact OD1-N 3.2Å; D44-A48 PolarHBondContact OD2-N 3.48Å; D44-T49 WeakPolarHBondContact OD2-CB 3.14Å; D44-T49 PolarHBondContact OD2-N 3.2Å; D44-T49 PolarHBondContact OD2-OG1 3Å
45	W	84.6	Confident	83.4	Confident	244 Å²	244	111.2 Å²	111.2	92%	0.924	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-12.5	178.5	63	87	0	0	0	113.4
46	T	86.3	Confident	83	Confident	94 Å²	94	103.8 Å²	103.8	58%	0.577	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-13.3	173.9	75.9	0	0	0	0	112.9	D44 A48	D44-T46 PolarHBondContact O-N 2.77Å; D44-T46 WeakPolarHBondContact OD1-CA 3.1Å; D44-T46 WeakPolarHBondContact OD1-CB 3.45Å; D44-T46 PolarHBondContact OD1-N 3.02Å; D44-T46 PolarHBondContact OD1-OG1 3.16Å; D44-T46 PolarHBondContact OD2-OG1 3.39Å; T46-A48 PolarHBondContact O-N 3.46Å
47	G	82	Confident	82.7	Confident	56 Å²	56	106 Å²	106	58%	0.577	55%	0.55	S	S	*	.			trans	66.8	6.8	-178.7	0	0	0	0	0	115.6	D44	D44-G47 PolarHBondContact O-N 3.26Å; D44-G47 VanDerWaalsContact O-N 3.13Å; D44-G47 PolarHBondContact OD1-N 3.2Å
48	A	82.8	Confident	82.5	Confident	59 Å²	59	108.2 Å²	108.2	49%	0.488	56%	0.557	S	S	.	*			trans	-75.4	-27.3	-172.9	0	0	0	0	0	113.8	D44 T46 Y50	D44-A48 PolarHBondContact OD2-N 3.48Å; T46-A48 PolarHBondContact O-N 3.46Å; A48-Y50 PolarHBondContact O-N 3.47Å
49	T	79.3	Confident	82.5	Confident	79 Å²	79	103.6 Å²	103.6	49%	0.485	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-29.2	-168.3	-60.6	0	0	0	0	114.2	D44	D44-T49 WeakPolarHBondContact OD2-CB 3.14Å; D44-T49 PolarHBondContact OD2-N 3.2Å; D44-T49 PolarHBondContact OD2-OG1 3Å
50	Y	76.8	Confident	82.3	Confident	56 Å²	56	100.1 Å²	100.1	22%	0.22	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	50.8	-170.2	-66.4	-69.1	0	0	0	114.4	V42 A48 D52 T56	V42-Y50 HydrophobicContact CB-CE2 4.3Å; V42-Y50 PolarHBondContact N-OH 2.87Å; V42-Y50 WeakPolarHBondContact O-CE2 3.17Å; A48-Y50 PolarHBondContact O-N 3.47Å; Y50-D52 PolarHBondContact O-N 2.86Å; Y50-T56 HydrophobicContact CD1-CG2 3.85Å; Y50-T56 HydrophobicContact CD2-CG2 4.34Å; Y50-T56 HydrophobicContact CE1-CG2 4.49Å; Y50-T56 HydrophobicContact CG-CG2 3.76Å
51	Q	71.2	Confident	82.1	Confident	182 Å²	182	99.8 Å²	99.8	85%	0.85	52%	0.517	S	S	*	.	S	Bend	trans	-60.9	-27.5	174.6	-63.5	-166.9	-0.8	0	0	113.5
52	D	73.5	Confident	81.7	Confident	51 Å²	51	102.8 Å²	102.8	27%	0.273	53%	0.533	S	S	.	.	S	Bend	trans	-103.7	106.1	173.9	-173.3	-12.1	0	0	0	111.4	Y50 R54 Y55	Y50-D52 PolarHBondContact O-N 2.86Å; D52-R54 PolarHBondContact O-N 2.9Å; D52-R54 VanDerWaalsContact OD1-CB 3.23Å; D52-R54 WeakPolarHBondContact OD1-CB 3.32Å; D52-R54 VanDerWaalsContact OD1-CG 3.29Å; D52-R54 WeakPolarHBondContact OD1-CG 2.94Å; D52-R54 IonicContact OD1-CZ 3.78Å; D52-R54 PolarHBondContact OD1-N 2.79Å; D52-R54 IonicContact OD1-NE 2.84Å; D52-R54 PolarHBondContact OD1-NE 2.9Å; D52-R54 IonicContact OD1-NH2 3.65Å; D52-R54 IonicContact OD2-CZ 3.88Å; D52-R54 VanDerWaalsContact OD2-CZ 3.24Å; D52-R54 IonicContact OD2-NE 3.79Å; D52-R54 PolarHBondContact OD2-NE 3.34Å; D52-R54 IonicContact OD2-NH2 3.72Å; D52-R54 PolarHBondContact OD2-NH2 3.13Å; D52-Y55 HydrophobicContact CB-CD2 4.03Å; D52-Y55 HydrophobicContact CB-CE2 4.23Å; D52-Y55 PolarHBondContact O-N 3.26Å; D52-Y55 VanDerWaalsContact O-N 3.13Å
53	K	74.1	Confident	81.2	Confident	163 Å²	163	106.1 Å²	106.1	71%	0.709	54%	0.541	S	S	*	.	H	α-helix	trans	-59.7	-12.2	179.5	-63.3	-174.1	177.3	-174.7	0	114.2	Y55 T56 N57	K53-Y55 PolarHBondContact O-N 3.29Å; K53-T56 PolarHBondContact O-N 2.58Å; K53-T56 PolarHBondContact O-OG1 2.75Å; K53-N57 PolarHBondContact O-N 3.28Å; K53-N57 PolarHBondContact O-OD1 3.4Å
54	R	77.9	Confident	80.3	Confident	181 Å²	181	102.5 Å²	102.5	68%	0.683	51%	0.513	S	S	*	.	H	α-helix	trans	-67.4	-18.8	174.2	-65.7	178.2	-69.6	-170.7	-0.2	113.3	D52 K58	D52-R54 PolarHBondContact O-N 2.9Å; D52-R54 VanDerWaalsContact OD1-CB 3.23Å; D52-R54 WeakPolarHBondContact OD1-CB 3.32Å; D52-R54 VanDerWaalsContact OD1-CG 3.29Å; D52-R54 WeakPolarHBondContact OD1-CG 2.94Å; D52-R54 IonicContact OD1-CZ 3.78Å; D52-R54 PolarHBondContact OD1-N 2.79Å; D52-R54 IonicContact OD1-NE 2.84Å; D52-R54 PolarHBondContact OD1-NE 2.9Å; D52-R54 IonicContact OD1-NH2 3.65Å; D52-R54 IonicContact OD2-CZ 3.88Å; D52-R54 VanDerWaalsContact OD2-CZ 3.24Å; D52-R54 IonicContact OD2-NE 3.79Å; D52-R54 PolarHBondContact OD2-NE 3.34Å; D52-R54 IonicContact OD2-NH2 3.72Å; D52-R54 PolarHBondContact OD2-NH2 3.13Å; R54-K58 WeakPolarHBondContact O-CE 3.21Å
55	Y	78.2	Confident	79.7	Confident	124 Å²	124	104.7 Å²	104.7	49%	0.486	55%	0.545	S	S	.	.	H	α-helix	trans	-83.4	-42.1	174.8	-69.3	-84.4	0	0	0	112.3	D52 K53 N57 K58 Y59	D52-Y55 HydrophobicContact CB-CD2 4.03Å; D52-Y55 HydrophobicContact CB-CE2 4.23Å; D52-Y55 PolarHBondContact O-N 3.26Å; D52-Y55 VanDerWaalsContact O-N 3.13Å; K53-Y55 PolarHBondContact O-N 3.29Å; Y55-N57 VanDerWaalsContact C-N 3.29Å; Y55-N57 PolarHBondContact O-N 3.48Å; Y55-K58 WeakPolarHBondContact O-CB 3.34Å; Y55-K58 PolarHBondContact O-N 2.69Å; Y55-K58 VanDerWaalsContact O-N 3.17Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.49Å; Y55-Y59 VanDerWaalsContact O-CE2 3.28Å; Y55-Y59 WeakPolarHBondContact O-CE2 3.28Å
56	T	79.1	Confident	79.6	Confident	38 Å²	38	95 Å²	95	23%	0.233	52%	0.521	C	S	.	.	H	α-helix	trans	-61	-37.4	179.9	48.3	0	0	0	0	112.6	Y50 K53 K58 Y59	Y50-T56 HydrophobicContact CD1-CG2 3.85Å; Y50-T56 HydrophobicContact CD2-CG2 4.34Å; Y50-T56 HydrophobicContact CE1-CG2 4.49Å; Y50-T56 HydrophobicContact CG-CG2 3.76Å; K53-T56 PolarHBondContact O-N 2.58Å; K53-T56 PolarHBondContact O-OG1 2.75Å; T56-K58 PolarHBondContact O-N 2.74Å; T56-K58 VanDerWaalsContact O-N 3.17Å; T56-Y59 PolarHBondContact O-N 3.3Å; T56-Y59 VanDerWaalsContact O-N 3.15Å
57	N	82.8	Confident	79.7	Confident	121 Å²	121	94 Å²	94	65%	0.647	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-65.5	-18.4	-179.4	-65.4	6.8	0	0	0	113.6	K53 Y55 Y59	K53-N57 PolarHBondContact O-N 3.28Å; K53-N57 PolarHBondContact O-OD1 3.4Å; Y55-N57 VanDerWaalsContact C-N 3.29Å; Y55-N57 PolarHBondContact O-N 3.48Å; N57-Y59 PolarHBondContact O-N 2.83Å
58	K	84.9	Confident	80.1	Confident	98 Å²	98	97.9 Å²	97.9	43%	0.426	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-75.2	-12.9	177.3	-62.3	173.5	-177.1	170.7	0	113.5	R54 Y55 T56	R54-K58 WeakPolarHBondContact O-CE 3.21Å; Y55-K58 WeakPolarHBondContact O-CB 3.34Å; Y55-K58 PolarHBondContact O-N 2.69Å; Y55-K58 VanDerWaalsContact O-N 3.17Å; T56-K58 PolarHBondContact O-N 2.74Å; T56-K58 VanDerWaalsContact O-N 3.17Å
59	Y	87.1	Confident	80.5	Confident	58 Å²	58	101.4 Å²	101.4	23%	0.227	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-115	8.6	-178.9	-52.5	-84.6	0	0	0	111.9	R38 L39 G40 K41 Y55 T56 N57	R38-Y59 HydrophobicContact CG-CD1 4.31Å; R38-Y59 HydrophobicContact CG-CE1 4.07Å; R38-Y59 WeakPolarHBondContact O-CD1 3.45Å; L39-Y59 WeakPolarHBondContact O-CE1 3.14Å; G40-Y59 WeakPolarHBondContact O-CE1 3.35Å; G40-Y59 VanDerWaalsContact O-CZ 3.31Å; G40-Y59 PolarHBondContact O-OH 3.34Å; G40-Y59 VanDerWaalsContact O-OH 3.08Å; K41-Y59 HydrophobicContact CB-CD1 3.89Å; K41-Y59 HydrophobicContact CB-CD2 4.23Å; K41-Y59 HydrophobicContact CB-CE1 4.34Å; K41-Y59 HydrophobicContact CB-CG 3.81Å; K41-Y59 HydrophobicContact CG-CD2 4.32Å; K41-Y59 HydrophobicContact CG-CG 4.27Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.49Å; Y55-Y59 VanDerWaalsContact O-CE2 3.28Å; Y55-Y59 WeakPolarHBondContact O-CE2 3.28Å; T56-Y59 PolarHBondContact O-N 3.3Å; T56-Y59 VanDerWaalsContact O-N 3.15Å; N57-Y59 PolarHBondContact O-N 2.83Å
60	S	85.4	Confident	81	Confident	85 Å²	85	100 Å²	100	59%	0.594	52%	0.518	S	S	*	.	S	Bend	trans	-79.9	121.3	169.4	-169.4	0	0	0	0	107.7
61	S	84.7	Confident	81.7	Confident	51 Å²	51	106.2 Å²	106.2	36%	0.357	54%	0.543	S	S	.	.			trans	-62.8	141.5	169.7	-169.3	0	0	0	0	109.7	D37 F63	D37-S61 WeakPolarHBondContact OD2-CA 3.26Å; D37-S61 WeakPolarHBondContact OD2-CB 3.42Å; D37-S61 PolarHBondContact OD2-OG 2.98Å; S61-F63 PolarHBondContact OG-N 3.23Å; S61-F63 PolarHBondContact OG-O 3.33Å
62	Q	80	Confident	82.5	Confident	199 Å²	199	104.7 Å²	104.7	93%	0.93	53%	0.534	S	S	*	.	S	Bend	trans	-87.7	-16.7	175.8	-65.2	-173.7	-2.8	0	0	112.2
63	F	78.4	Confident	83.2	Confident	154 Å²	154	107.3 Å²	107.3	68%	0.675	54%	0.544	S	S	*	.	S	Bend	trans	-150.2	126.5	-176.8	-179.9	-92	0	0	0	110.3	S61	S61-F63 PolarHBondContact OG-N 3.23Å; S61-F63 PolarHBondContact OG-O 3.33Å
64	G	70.5	Confident	83.5	Confident	19 Å²	19	108.8 Å²	108.8	20%	0.196	55%	0.554	C	S	.	*			trans	99.8	41	179.9	0	0	0	0	0	115	P32 G66	P32-G64 VanDerWaalsContact O-O 3.13Å; G64-G66 PolarHBondContact O-N 3.5Å
65	G	74.9	Confident	83.6	Confident	86 Å²	86	106.1 Å²	106.1	89%	0.887	55%	0.549	S	S	*	.			trans	-66.4	113.1	168.8	0	0	0	0	0	111
66	G	81.9	Confident	83.4	Confident	41 Å²	41	107.1 Å²	107.1	42%	0.423	56%	0.563	S	S	.	*			trans	-146.9	156.5	176.6	0	0	0	0	0	111.6	Q31 G64	Q31-G66 PolarHBondContact NE2-O 2.83Å; Q31-G66 VanDerWaalsContact NE2-O 3.17Å; Q31-G66 PolarHBondContact OE1-O 3.26Å; G64-G66 PolarHBondContact O-N 3.5Å
67	S	87.7	Confident	83.4	Confident	72 Å²	72	111.6 Å²	111.6	50%	0.503	58%	0.581	S	S	.	*			trans	-129.8	28.3	-177.2	65.2	0	0	0	0	112.3	Y69 A70	S67-Y69 VanDerWaalsContact C-N 3.28Å; S67-A70 WeakPolarHBondContact O-CB 3.43Å; S67-A70 PolarHBondContact O-N 3.46Å
68	Q	90.8	Very high	83.2	Confident	138 Å²	138	113.2 Å²	113.2	65%	0.645	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-32.8	177.5	-63.1	-62.2	-18.3	0	0	110.8	P29	P29-Q68 HydrophobicContact CB-CB 4.36Å
69	Y	90.3	Very high	83.1	Confident	134 Å²	134	111.7 Å²	111.7	53%	0.525	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	42.6	173.5	-58.9	-78.2	0	0	0	112.1	M28 P29 Q31 S67	M28-Y69 WeakPolarHBondContact CG-OH 3.16Å; P29-Y69 HydrophobicContact CB-CE1 4.37Å; P29-Y69 HydrophobicContact CB-CE2 4.3Å; P29-Y69 WeakPolarHBondContact CD-OH 3.21Å; P29-Y69 HydrophobicContact CG-CE1 4.38Å; P29-Y69 WeakPolarHBondContact O-CE2 3.34Å; P29-Y69 PolarHBondContact O-OH 3.16Å; Q31-Y69 HydrophobicContact CB-CD2 4.02Å; Q31-Y69 HydrophobicContact CB-CE2 4Å; S67-Y69 VanDerWaalsContact C-N 3.28Å
70	A	90.8	Very high	82.9	Confident	48 Å²	48	116.1 Å²	116.1	40%	0.397	62%	0.618	S	S	.	*			trans	-114.7	130.9	178.6	0	0	0	0	0	111.5	S67 F72	S67-A70 WeakPolarHBondContact O-CB 3.43Å; S67-A70 PolarHBondContact O-N 3.46Å; A70-F72 HydrophobicContact CB-CD2 4.41Å; A70-F72 HydrophobicContact CB-CE2 3.74Å; A70-F72 HydrophobicContact CB-CZ 4.22Å
71	Y	90.9	Very high	82.8	Confident	187 Å²	187	120.5 Å²	120.5	73%	0.733	63%	0.629	S	S	*	*			trans	-93.6	128.1	168.2	-180	-107.4	0	0	0	109.6	H73	Y71-H73 HydrophobicContact CE1-CB 3.76Å; Y71-H73 AromaticContact CE1-ND1 3.72Å; Y71-H73 AromaticContact CZ-ND1 3.71Å; Y71-H73 PolarHBondContact OH-ND1 3.42Å
72	F	89.4	Confident	82.8	Confident	151 Å²	151	126.6 Å²	126.6	66%	0.662	66%	0.656	S	S	*	*			trans	-111.5	117.4	171.8	-66	-88.4	0	0	0	108	A70	A70-F72 HydrophobicContact CB-CD2 4.41Å; A70-F72 HydrophobicContact CB-CE2 3.74Å; A70-F72 HydrophobicContact CB-CZ 4.22Å
73	H	87.2	Confident	82.5	Confident	105 Å²	105	122.8 Å²	122.8	49%	0.486	65%	0.646	S	S	.	*			trans	-85.3	114.6	174.4	-160.1	58.5	0	0	0	108.4	Y71 E75 D76	Y71-H73 HydrophobicContact CE1-CB 3.76Å; Y71-H73 AromaticContact CE1-ND1 3.72Å; Y71-H73 AromaticContact CZ-ND1 3.71Å; Y71-H73 PolarHBondContact OH-ND1 3.42Å; H73-E75 VanDerWaalsContact C-N 3.26Å; H73-E75 PolarHBondContact O-N 3.29Å; H73-D76 HydrophobicContact CB-CB 4.42Å
74	E	81.1	Confident	82	Confident	195 Å²	195	121.1 Å²	121.1	91%	0.911	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-24.6	-175.9	-61.5	-170.4	158.6	0	0	112.7
75	E	79.9	Confident	81.8	Confident	125 Å²	125	126.6 Å²	126.6	58%	0.584	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	46.6	-178.6	-59.8	-172.2	172.2	0	0	112.1	H73 E77	H73-E75 VanDerWaalsContact C-N 3.26Å; H73-E75 PolarHBondContact O-N 3.29Å; E75-E77 PolarHBondContact O-N 3.24Å
76	D	72.7	Confident	81.1	Confident	145 Å²	145	125.3 Å²	125.3	78%	0.775	66%	0.656	S	S	*	*			trans	-71.8	59.7	174.6	-165.8	22.7	0	0	0	112.5	H73	H73-D76 HydrophobicContact CB-CB 4.42Å
77	E	79.8	Confident	79.6	Confident	132 Å²	132	132.8 Å²	132.8	62%	0.617	68%	0.676	S	S	*	*			trans	-124.1	135.8	-178.8	-65.3	-164.2	164.5	0	0	112.2	E75 S79	E75-E77 PolarHBondContact O-N 3.24Å; E77-S79 VanDerWaalsContact CB-OG 3.27Å; E77-S79 WeakPolarHBondContact CB-OG 3.35Å; E77-S79 PolarHBondContact O-N 3.35Å; E77-S79 VanDerWaalsContact OE2-CB 3.24Å; E77-S79 WeakPolarHBondContact OE2-CB 3.29Å; E77-S79 PolarHBondContact OE2-OG 3.21Å
78	T	78	Confident	77.7	Confident	154 Å²	154	135.2 Å²	135.2	95%	0.945	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	30.7	167.5	68.5	0	0	0	0	112.4
79	S	84.1	Confident	75.8	Confident	66 Å²	66	137.2 Å²	137.2	46%	0.462	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-27.2	-174.6	53.6	0	0	0	0	112.7	E77	E77-S79 VanDerWaalsContact CB-OG 3.27Å; E77-S79 WeakPolarHBondContact CB-OG 3.35Å; E77-S79 PolarHBondContact O-N 3.35Å; E77-S79 VanDerWaalsContact OE2-CB 3.24Å; E77-S79 WeakPolarHBondContact OE2-CB 3.29Å; E77-S79 PolarHBondContact OE2-OG 3.21Å
80	F	83.2	Confident	73.5	Confident	151 Å²	151	138.8 Å²	138.8	66%	0.662	71%	0.707	S	S	*	*			trans	-70.6	134.9	175	-69	-88.4	0	0	0	112.6
81	Q	83.6	Confident	71.4	Confident	177 Å²	177	141.5 Å²	141.5	83%	0.827	72%	0.719	S	S	*	*			trans	-107.2	129.6	172	-64.5	-178.1	12	0	0	109.7	V83	Q81-V83 PolarHBondContact O-N 3.44Å; Q81-V83 VanDerWaalsContact O-N 3.16Å
82	L	83.1	Confident	69.4	Low	179 Å²	179	136.8 Å²	136.8	94%	0.937	72%	0.719	S	S	*	*			trans	-68.4	111.3	176	-174.9	66.1	0	0	0	110.2	D84	L82-D84 PolarHBondContact O-N 3.49Å
83	V	74.9	Confident	67.5	Low	119 Å²	119	139.1 Å²	139.1	72%	0.721	72%	0.724	S	S	*	*			trans	-81.2	110.9	177.8	-178.3	0	0	0	0	109.6	Q81 T85	Q81-V83 PolarHBondContact O-N 3.44Å; Q81-V83 VanDerWaalsContact O-N 3.16Å; V83-T85 PolarHBondContact O-N 3.08Å
84	D	66.5	Low	65.7	Low	120 Å²	120	140 Å²	140	64%	0.642	73%	0.729	S	S	*	*			trans	-69.5	113.2	174.7	-175.6	10.7	0	0	0	110.9	L82 A86	L82-D84 PolarHBondContact O-N 3.49Å; D84-A86 WeakPolarHBondContact OD1-CB 3.23Å; D84-A86 PolarHBondContact OD1-N 3.34Å
85	T	66.3	Low	64.1	Low	134 Å²	134	141.7 Å²	141.7	82%	0.822	73%	0.727	S	S	*	*			trans	-89.1	-4	175.2	57	0	0	0	0	112.9	V83 K87	V83-T85 PolarHBondContact O-N 3.08Å; T85-K87 PolarHBondContact O-N 3.28Å
86	A	61	Low	62.5	Low	59 Å²	59	140.3 Å²	140.3	49%	0.488	72%	0.723	S	S	.	*	S	Bend	trans	-64.8	120.2	173.8	0	0	0	0	0	109.9	D84 T88	D84-A86 WeakPolarHBondContact OD1-CB 3.23Å; D84-A86 PolarHBondContact OD1-N 3.34Å; A86-T88 PolarHBondContact O-N 2.99Å
87	K	49.8	Very low	61.3	Low	198 Å²	198	143.2 Å²	143.2	86%	0.861	72%	0.723	S	S	*	*			trans	-54.2	107.8	169.9	-81.7	178	177.9	169	0	108.7	T85 Q89	T85-K87 PolarHBondContact O-N 3.28Å; K87-Q89 PolarHBondContact O-N 3.45Å
88	T	48.7	Very low	59.7	Low	123 Å²	123	144.4 Å²	144.4	76%	0.755	73%	0.731	S	S	*	*			trans	-59.2	97.7	-176.6	-33.8	0	0	0	0	109.7	A86 K90	A86-T88 PolarHBondContact O-N 2.99Å; T88-K90 PolarHBondContact O-N 3.37Å
89	Q	50.3	Low	58.3	Low	180 Å²	180	146.4 Å²	146.4	84%	0.841	72%	0.721	S	S	*	*			trans	-64.8	104.7	175.8	-80.3	-163.5	-4.3	0	0	108.2	K87 T91	K87-Q89 PolarHBondContact O-N 3.45Å; Q89-T91 VanDerWaalsContact C-N 3.33Å; Q89-T91 PolarHBondContact O-N 3.37Å
90	K	43.1	Very low	56.5	Low	167 Å²	167	150.2 Å²	150.2	73%	0.726	73%	0.73	S	S	*	*			trans	-64.3	96.1	174	-70	-176.7	179.3	175	0	108.5	T88 A92	T88-K90 PolarHBondContact O-N 3.37Å; K90-A92 PolarHBondContact O-N 3.34Å
91	T	45.9	Very low	54.9	Low	104 Å²	104	145.7 Å²	145.7	64%	0.638	72%	0.72	S	S	*	*			trans	-50.5	140	173.6	37.3	0	0	0	0	110.2	Q89 Y93 Q94	Q89-T91 VanDerWaalsContact C-N 3.33Å; Q89-T91 PolarHBondContact O-N 3.37Å; T91-Y93 PolarHBondContact O-N 3.22Å; T91-Q94 PolarHBondContact O-N 3.32Å
92	A	48.6	Very low	53.3	Low	88 Å²	88	144.3 Å²	144.3	73%	0.727	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-54.9	-18	-171.9	0	0	0	0	0	114.3	K90 Q94 R95	K90-A92 PolarHBondContact O-N 3.34Å; A92-Q94 VanDerWaalsContact C-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.49Å; A92-R95 PolarHBondContact O-N 3.42Å
93	Y	50.3	Low	51.6	Low	200 Å²	200	144.6 Å²	144.6	78%	0.784	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-60.8	-29.2	174.4	-142.9	-94	0	0	0	114	T91 R95 N96	T91-Y93 PolarHBondContact O-N 3.22Å; Y93-R95 VanDerWaalsContact C-N 3.27Å; Y93-R95 PolarHBondContact O-N 3.38Å; Y93-N96 PolarHBondContact O-N 2.64Å
94	Q	49	Very low	50.3	Low	123 Å²	123	144.3 Å²	144.3	58%	0.575	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-66	-25.7	176.3	-75.5	-164.7	-8.4	0	0	113.2	T91 A92 N96	T91-Q94 PolarHBondContact O-N 3.32Å; A92-Q94 VanDerWaalsContact C-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.49Å; Q94-N96 VanDerWaalsContact C-N 3.27Å; Q94-N96 PolarHBondContact O-N 3.15Å
95	R	47.6	Very low	49.6	Very low	232 Å²	232	145 Å²	145	88%	0.875	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-67	-24.4	175.4	-103.6	-179.9	-162.9	160.3	6.9	113.4	A92 Y93	A92-R95 PolarHBondContact O-N 3.42Å; Y93-R95 VanDerWaalsContact C-N 3.27Å; Y93-R95 PolarHBondContact O-N 3.38Å
96	N	45.2	Very low	48.9	Very low	95 Å²	95	148.1 Å²	148.1	51%	0.508	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-97.5	-5.9	-171.3	-129.4	-5.7	0	0	0	114.3	Y93 Q94 M98 R99	Y93-N96 PolarHBondContact O-N 2.64Å; Q94-N96 VanDerWaalsContact C-N 3.27Å; Q94-N96 PolarHBondContact O-N 3.15Å; N96-M98 PolarHBondContact O-N 3.02Å; N96-R99 PolarHBondContact O-N 3.17Å
97	R	47.6	Very low	48.4	Very low	206 Å²	206	155 Å²	155	78%	0.777	71%	0.71	S	S	*	*	H	α-helix	trans	-63.6	-28.6	178.5	-127.3	178.5	-172.6	-179.2	3	112.9	R99	R97-R99 VanDerWaalsContact C-N 3.34Å; R97-R99 PolarHBondContact O-N 3.17Å
98	M	46.3	Very low	48.3	Very low	157 Å²	157	149.9 Å²	149.9	77%	0.773	69%	0.692	S	S	*	*	H	α-helix	trans	-65.4	-27.1	176.3	-86.2	-70.5	-145.9	0	0	114.4	N96	N96-M98 PolarHBondContact O-N 3.02Å
99	R	48.4	Very low	48.4	Very low	197 Å²	197	151.7 Å²	151.7	74%	0.743	69%	0.69	S	S	*	*	H	α-helix	trans	-82.2	-25.5	-178.7	-83.9	-173.8	170.5	-172.9	-1.5	114.2	N96 R97	N96-R99 PolarHBondContact O-N 3.17Å; R97-R99 VanDerWaalsContact C-N 3.34Å; R97-R99 PolarHBondContact O-N 3.17Å
100	F	46.4	Very low	48.2	Very low	145 Å²	145	149 Å²	149	64%	0.636	68%	0.681	S	S	*	*	H	α-helix	trans	-81.1	-28	178.1	-94.4	-89.6	0	0	0	113.6	Q102 R103	F100-Q102 PolarHBondContact O-N 2.96Å; F100-R103 PolarHBondContact O-N 3.3Å
101	A	50.7	Low	48.6	Very low	57 Å²	57	150.2 Å²	150.2	47%	0.471	68%	0.681	S	S	.	*	H	α-helix	trans	-60.9	-42.2	174.7	0	0	0	0	0	112.3	R103 N104 L105	A101-R103 VanDerWaalsContact C-N 3.29Å; A101-R103 PolarHBondContact O-N 3Å; A101-N104 PolarHBondContact O-N 3.13Å; A101-L105 WeakPolarHBondContact O-CD1 3.28Å
102	Q	50.2	Low	48.8	Very low	148 Å²	148	154.8 Å²	154.8	69%	0.692	69%	0.686	S	S	*	*	H	α-helix	trans	-67.8	-23.5	178.4	-75.9	-175.6	-21.6	0	0	114.2	F100	F100-Q102 PolarHBondContact O-N 2.96Å
103	R	47.6	Very low	48.8	Very low	184 Å²	184	157.3 Å²	157.3	69%	0.694	69%	0.688	S	S	*	*	H	α-helix	trans	-77.7	-29.4	180	-169.1	172.3	175.5	-177.7	-1.3	112.9	F100 A101	F100-R103 PolarHBondContact O-N 3.3Å; A101-R103 VanDerWaalsContact C-N 3.29Å; A101-R103 PolarHBondContact O-N 3Å
104	N	48	Very low	48.6	Very low	113 Å²	113	155.4 Å²	155.4	60%	0.604	69%	0.69	S	S	*	*	H	α-helix	trans	-75.4	-38	174.3	-79.5	-7.2	0	0	0	112.2	A101 R106 R107 D108	A101-N104 PolarHBondContact O-N 3.13Å; N104-R106 VanDerWaalsContact C-N 3.28Å; N104-R106 PolarHBondContact O-N 3.45Å; N104-R107 PolarHBondContact O-N 3.46Å; N104-R107 VanDerWaalsContact O-N 3.08Å; N104-D108 PolarHBondContact O-N 3.33Å
105	L	51.7	Low	48.6	Very low	135 Å²	135	155.1 Å²	155.1	71%	0.707	70%	0.697	S	S	*	*	H	α-helix	trans	-63.4	-28.3	177.8	-92.4	79.7	0	0	0	114	A101	A101-L105 WeakPolarHBondContact O-CD1 3.28Å
106	R	50.3	Low	48.7	Very low	200 Å²	200	152.3 Å²	152.3	76%	0.755	69%	0.694	S	S	*	*	H	α-helix	trans	-70.5	-34.5	173.3	-74.7	-171.6	175.1	-171.1	-1.7	112.5	N104 D108 K109 D110	N104-R106 VanDerWaalsContact C-N 3.28Å; N104-R106 PolarHBondContact O-N 3.45Å; R106-D108 PolarHBondContact O-N 3.39Å; R106-K109 PolarHBondContact O-N 3.25Å; R106-D110 PolarHBondContact O-N 3.45Å
107	R	50	Low	48.5	Very low	202 Å²	202	157 Å²	157	76%	0.762	71%	0.71	S	S	*	*	H	α-helix	trans	-75.9	-23.8	-174.4	-149.3	176.1	-174.2	-175.2	0.7	114	N104	N104-R107 PolarHBondContact O-N 3.46Å; N104-R107 VanDerWaalsContact O-N 3.08Å
108	D	48.8	Very low	48	Very low	92 Å²	92	154.1 Å²	154.1	49%	0.492	71%	0.71	S	S	.	*	H	α-helix	trans	-81	-19.2	170.3	-88.3	-53.5	0	0	0	113.5	N104 R106	N104-D108 PolarHBondContact O-N 3.33Å; R106-D108 PolarHBondContact O-N 3.39Å
109	K	49.8	Very low	48	Very low	161 Å²	161	155.5 Å²	155.5	70%	0.7	72%	0.717	S	S	*	*	H	α-helix	trans	-74.1	-41.6	175.6	-155.3	173.9	-175.6	-179	0	111.5	R106 R111 R112	R106-K109 PolarHBondContact O-N 3.25Å; K109-R111 VanDerWaalsContact C-N 3.27Å; K109-R111 PolarHBondContact O-N 2.95Å; K109-R112 PolarHBondContact O-N 2.64Å
110	D	48	Very low	47.7	Very low	124 Å²	124	155 Å²	155	66%	0.663	72%	0.723	S	S	*	*	H	α-helix	trans	-68.5	-24.6	176.2	-63.1	-31.2	0	0	0	113.1	R106	R106-D110 PolarHBondContact O-N 3.45Å
111	R	51.1	Low	47.8	Very low	191 Å²	191	155 Å²	155	72%	0.721	74%	0.735	S	S	*	*	H	α-helix	trans	-78.6	-21.2	178.9	-168.8	174.2	170.2	-140.4	-5.2	113.7	K109	K109-R111 VanDerWaalsContact C-N 3.27Å; K109-R111 PolarHBondContact O-N 2.95Å
112	R	49.4	Very low	47.7	Very low	200 Å²	200	158.7 Å²	158.7	76%	0.755	75%	0.746	S	S	*	*	H	α-helix	trans	-83.7	-22.4	177.6	-71.1	-176.5	-177	-173.5	0.7	113.7	K109 L114 T115	K109-R112 PolarHBondContact O-N 2.64Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-T115 PolarHBondContact O-OG1 2.81Å
113	N	47.8	Very low	47.9	Very low	142 Å²	142	155.8 Å²	155.8	76%	0.759	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-4.5	176.7	-77.3	9	0	0	0	113.9
114	L	47.2	Very low	48.2	Very low	159 Å²	159	156.5 Å²	156.5	83%	0.832	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	36.2	177	-154.6	76.8	0	0	0	112.8	R112	R112-L114 VanDerWaalsContact C-N 3.31Å
115	T	49.7	Very low	48.3	Very low	118 Å²	118	155.7 Å²	155.7	72%	0.724	75%	0.751	S	S	*	*	S	Bend	trans	-125.7	13.4	176.2	28.2	0	0	0	0	114	R112	R112-T115 PolarHBondContact O-OG1 2.81Å
116	Q	49.6	Very low	48.4	Very low	173 Å²	173	151.3 Å²	151.3	81%	0.808	74%	0.735	S	S	*	*	S	Bend	trans	-127.4	12.8	-172.9	-142.7	173.9	5.1	0	0	116
117	F	40.3	Very low	48.6	Very low	193 Å²	193	149 Å²	149	85%	0.846	73%	0.731	S	S	*	*	S	Bend	trans	-132.7	117.5	171	-100.4	-87.8	0	0	0	114
118	N	36.7	Very low	48.9	Very low	146 Å²	146	145.9 Å²	145.9	78%	0.781	73%	0.725	S	S	*	*			trans	53.1	109.6	160.4	-70.4	-6	0	0	0	121.4	Q120	N118-Q120 PolarHBondContact O-N 2.96Å
119	M	46.2	Very low	49.2	Very low	186 Å²	186	150 Å²	150	92%	0.916	74%	0.738	S	S	*	*			trans	-32	126.9	137.2	-68.2	-139.5	-63.4	0	0	113.9
120	Q	43	Very low	49.4	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	73%	0.732	S	S	*	*			trans	-151.6	140.8	144.9	-115.1	171.7	8.5	0	0	110.7	N118 L122	N118-Q120 PolarHBondContact O-N 2.96Å; Q120-L122 PolarHBondContact O-N 3.17Å
121	T	48.9	Very low	49.9	Very low	143 Å²	143	150.7 Å²	150.7	88%	0.877	73%	0.732	S	S	*	*			trans	-80.7	102.6	-169.4	46.9	0	0	0	0	112.2
122	L	47.4	Very low	50.2	Low	135 Å²	135	145.2 Å²	145.2	71%	0.707	72%	0.717	S	S	*	*			trans	-74.7	133.4	171.8	-80.2	155.5	0	0	0	111.9	Q120	Q120-L122 PolarHBondContact O-N 3.17Å
123	P	54.8	Low	50.6	Low	88 Å²	88	144.9 Å²	144.9	57%	0.571	72%	0.716	S	S	*	*			trans	-67.8	151.9	-178.3	24.8	-31.6	0	0	0	113.1	S125 A126	P123-S125 PolarHBondContact O-N 3.47Å; P123-A126 PolarHBondContact O-N 2.85Å; P123-A126 VanDerWaalsContact O-N 3.16Å
124	K	53.8	Low	51.1	Low	199 Å²	199	143 Å²	143	87%	0.865	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-23.9	-166.9	-70.9	-178.9	177.6	175.6	0	115.2
125	S	51.1	Low	51.8	Low	95 Å²	95	143.3 Å²	143.3	66%	0.664	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-28.7	-179.8	53.6	0	0	0	0	114.4	P123	P123-S125 PolarHBondContact O-N 3.47Å
126	A	53.5	Low	52.3	Low	44 Å²	44	143.7 Å²	143.7	36%	0.364	69%	0.691	S	S	.	*	H	α-helix	trans	-71.7	-39.1	-178	0	0	0	0	0	112.8	P123 Q128 K129 E130	P123-A126 PolarHBondContact O-N 2.85Å; P123-A126 VanDerWaalsContact O-N 3.16Å; A126-Q128 PolarHBondContact O-N 3.31Å; A126-K129 PolarHBondContact O-N 3.17Å; A126-E130 PolarHBondContact O-N 2.61Å
127	K	54.5	Low	52.7	Low	152 Å²	152	141.5 Å²	141.5	66%	0.661	68%	0.681	S	S	*	*	H	α-helix	trans	-61.9	-24.1	-178.9	-86.9	-177.4	172.8	175.6	0	114	R131	K127-R131 WeakPolarHBondContact O-CB 3.14Å; K127-R131 PolarHBondContact O-N 3.4Å
128	Q	55.5	Low	53.6	Low	136 Å²	136	139.3 Å²	139.3	64%	0.636	67%	0.671	S	S	*	*	H	α-helix	trans	-80.4	-46.6	-178.9	-163.7	155.8	-12	0	0	111.7	A126 E130 R131 D132	A126-Q128 PolarHBondContact O-N 3.31Å; Q128-E130 VanDerWaalsContact C-N 3.29Å; Q128-E130 PolarHBondContact O-N 3.06Å; Q128-R131 PolarHBondContact O-N 3.28Å; Q128-R131 VanDerWaalsContact O-N 3.14Å; Q128-D132 PolarHBondContact O-N 3.39Å
129	K	55.5	Low	54.5	Low	178 Å²	178	140 Å²	140	77%	0.774	67%	0.667	S	S	*	*	H	α-helix	trans	-57.5	-39.2	174	-95.9	-176.7	173.6	177.8	0	112.9	A126 R133	A126-K129 PolarHBondContact O-N 3.17Å; K129-R133 WeakPolarHBondContact O-CB 3.19Å; K129-R133 PolarHBondContact O-N 2.84Å
130	E	53.8	Low	54.8	Low	122 Å²	122	137.4 Å²	137.4	57%	0.57	65%	0.651	S	S	*	*	H	α-helix	trans	-67.9	-39.3	177.7	-167.8	177	-165.9	0	0	112.2	A126 Q128 R133 M134	A126-E130 PolarHBondContact O-N 2.61Å; Q128-E130 VanDerWaalsContact C-N 3.29Å; Q128-E130 PolarHBondContact O-N 3.06Å; E130-R133 PolarHBondContact O-N 2.88Å; E130-M134 HydrophobicContact CG-CE 4.35Å; E130-M134 PolarHBondContact O-N 2.69Å
131	R	57.5	Low	55.4	Low	178 Å²	178	135.3 Å²	135.3	67%	0.672	64%	0.641	S	S	*	*	H	α-helix	trans	-67.6	-36.5	178.8	-158.6	174.7	-176.3	-167.1	-0	112.2	K127 Q128 R135	K127-R131 WeakPolarHBondContact O-CB 3.14Å; K127-R131 PolarHBondContact O-N 3.4Å; Q128-R131 PolarHBondContact O-N 3.28Å; Q128-R131 VanDerWaalsContact O-N 3.14Å; R131-R135 PolarHBondContact O-N 3.38Å
132	D	57.7	Low	55.8	Low	76 Å²	76	136.4 Å²	136.4	41%	0.406	63%	0.633	S	S	.	*	H	α-helix	trans	-74.3	-37.6	174.7	-71.6	-35.8	0	0	0	112.5	Q128 M134 R135 L136	Q128-D132 PolarHBondContact O-N 3.39Å; D132-M134 VanDerWaalsContact C-N 3.31Å; D132-M134 PolarHBondContact O-N 2.68Å; D132-R135 PolarHBondContact O-N 3.42Å; D132-R135 VanDerWaalsContact O-N 3.15Å; D132-L136 PolarHBondContact O-N 2.95Å
133	R	59.2	Low	56	Low	193 Å²	193	136.4 Å²	136.4	73%	0.728	63%	0.63	S	S	*	*	H	α-helix	trans	-58.6	-42.2	169.9	-175.8	177.9	171.9	-163	-1.9	111.6	K129 E130 L136 Q137	K129-R133 WeakPolarHBondContact O-CB 3.19Å; K129-R133 PolarHBondContact O-N 2.84Å; E130-R133 PolarHBondContact O-N 2.88Å; R133-L136 PolarHBondContact O-N 2.81Å; R133-Q137 WeakPolarHBondContact O-CB 3.41Å; R133-Q137 PolarHBondContact O-N 2.96Å
134	M	57	Low	55.7	Low	102 Å²	102	137.9 Å²	137.9	50%	0.502	63%	0.627	S	S	.	*	H	α-helix	trans	-67.2	-34.5	174.9	-121.1	-173.7	-78.2	0	0	113.1	E130 D132 K138	E130-M134 HydrophobicContact CG-CE 4.35Å; E130-M134 PolarHBondContact O-N 2.69Å; D132-M134 VanDerWaalsContact C-N 3.31Å; D132-M134 PolarHBondContact O-N 2.68Å; M134-K138 WeakPolarHBondContact O-CB 3.19Å; M134-K138 PolarHBondContact O-N 3.48Å
135	R	61.8	Low	55.3	Low	165 Å²	165	130 Å²	130	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-68.2	-42.6	173.1	-83.7	177.4	160.1	-177.5	-7	112.2	R131 D132 K138 K139	R131-R135 PolarHBondContact O-N 3.38Å; D132-R135 PolarHBondContact O-N 3.42Å; D132-R135 VanDerWaalsContact O-N 3.15Å; R135-K138 PolarHBondContact O-N 3.2Å; R135-K139 PolarHBondContact O-N 3.43Å
136	L	59.8	Low	55.1	Low	126 Å²	126	130 Å²	130	66%	0.66	60%	0.598	S	S	*	*	H	α-helix	trans	-61.4	-46.2	174.5	-122.9	78.2	0	0	0	110.9	D132 R133 K138 K139 F140	D132-L136 PolarHBondContact O-N 2.95Å; R133-L136 PolarHBondContact O-N 2.81Å; L136-K138 PolarHBondContact O-N 2.81Å; L136-K139 WeakPolarHBondContact O-CB 3.35Å; L136-K139 PolarHBondContact O-N 3.48Å; L136-K139 VanDerWaalsContact O-N 3.13Å; L136-F140 PolarHBondContact O-N 2.78Å
137	Q	59.1	Low	54.8	Low	128 Å²	128	136.4 Å²	136.4	60%	0.598	61%	0.613	S	S	*	*	H	α-helix	trans	-63.4	-40.4	178.9	-162.4	170.5	28	0	0	112	R133 F140 Q141	R133-Q137 WeakPolarHBondContact O-CB 3.41Å; R133-Q137 PolarHBondContact O-N 2.96Å; Q137-F140 PolarHBondContact O-N 3.24Å; Q137-Q141 VanDerWaalsContact O-CB 3.28Å; Q137-Q141 WeakPolarHBondContact O-CB 3.48Å; Q137-Q141 PolarHBondContact O-N 2.72Å
138	K	58.7	Low	54.3	Low	146 Å²	146	136.1 Å²	136.1	64%	0.635	61%	0.614	S	S	*	*	H	α-helix	trans	-66.3	-32.5	172.2	-84.1	-176.5	172.8	178.9	0	113.6	M134 R135 L136 K142	M134-K138 WeakPolarHBondContact O-CB 3.19Å; M134-K138 PolarHBondContact O-N 3.48Å; R135-K138 PolarHBondContact O-N 3.2Å; L136-K138 PolarHBondContact O-N 2.81Å; K138-K142 WeakPolarHBondContact O-CB 3.18Å; K138-K142 WeakPolarHBondContact O-CG 3.33Å; K138-K142 PolarHBondContact O-N 3.47Å; K138-K142 VanDerWaalsContact O-N 3.08Å
139	K	56.1	Low	53.5	Low	160 Å²	160	137.5 Å²	137.5	70%	0.696	62%	0.618	S	S	*	*	H	α-helix	trans	-65.9	-49.7	171.1	-87.8	-172.3	170.4	-173.5	0	111	R135 L136 Q141 K142 Q143	R135-K139 PolarHBondContact O-N 3.43Å; L136-K139 WeakPolarHBondContact O-CB 3.35Å; L136-K139 PolarHBondContact O-N 3.48Å; L136-K139 VanDerWaalsContact O-N 3.13Å; K139-Q141 VanDerWaalsContact C-N 3.33Å; K139-Q141 PolarHBondContact O-N 3.34Å; K139-K142 PolarHBondContact O-N 2.69Å; K139-Q143 WeakPolarHBondContact O-CB 3.4Å; K139-Q143 PolarHBondContact O-N 2.77Å
140	F	52.3	Low	52.9	Low	132 Å²	132	138.9 Å²	138.9	58%	0.579	62%	0.618	S	S	*	*	H	α-helix	trans	-59.4	-43.2	178.2	-133	-103.1	0	0	0	111.8	L136 Q137 K142 Q143 F144	L136-F140 PolarHBondContact O-N 2.78Å; Q137-F140 PolarHBondContact O-N 3.24Å; F140-K142 PolarHBondContact O-N 2.97Å; F140-Q143 PolarHBondContact O-N 3.08Å; F140-Q143 VanDerWaalsContact O-N 3.17Å; F140-F144 AromaticContact CD1-CD2 3.88Å; F140-F144 HydrophobicContact CD1-CD2 3.88Å; F140-F144 AromaticContact CD1-CE2 3.76Å; F140-F144 HydrophobicContact CD1-CE2 3.76Å; F140-F144 HydrophobicContact CE1-CD2 4.04Å; F140-F144 AromaticContact CE1-CE2 3.41Å; F140-F144 HydrophobicContact CE1-CE2 3.41Å; F140-F144 VanDerWaalsContact CE1-CE2 3.41Å; F140-F144 HydrophobicContact CE1-CZ 4.26Å; F140-F144 HydrophobicContact CZ-CE2 4.07Å; F140-F144 WeakPolarHBondContact O-CD2 3.43Å; F140-F144 PolarHBondContact O-N 2.98Å
141	Q	56.2	Low	52.4	Low	143 Å²	143	138.2 Å²	138.2	67%	0.668	62%	0.619	S	S	*	*	H	α-helix	trans	-69.6	-32.2	179.4	-156.1	170.9	38.9	0	0	112.8	Q137 K139 G145	Q137-Q141 VanDerWaalsContact O-CB 3.28Å; Q137-Q141 WeakPolarHBondContact O-CB 3.48Å; Q137-Q141 PolarHBondContact O-N 2.72Å; K139-Q141 VanDerWaalsContact C-N 3.33Å; K139-Q141 PolarHBondContact O-N 3.34Å; Q141-G145 PolarHBondContact O-N 3.38Å
142	K	55.8	Low	51.5	Low	166 Å²	166	137.4 Å²	137.4	72%	0.722	62%	0.623	S	S	*	*	H	α-helix	trans	-68.4	-39.5	167.9	-80.6	-170.3	172.6	-167	0	112.1	K138 K139 F140 G145 V146	K138-K142 WeakPolarHBondContact O-CB 3.18Å; K138-K142 WeakPolarHBondContact O-CG 3.33Å; K138-K142 PolarHBondContact O-N 3.47Å; K138-K142 VanDerWaalsContact O-N 3.08Å; K139-K142 PolarHBondContact O-N 2.69Å; F140-K142 PolarHBondContact O-N 2.97Å; K142-G145 PolarHBondContact O-N 2.83Å; K142-V146 VanDerWaalsContact O-CG2 3.27Å; K142-V146 WeakPolarHBondContact O-CG2 3.19Å; K142-V146 PolarHBondContact O-N 3.06Å; K142-V146 VanDerWaalsContact O-N 3.08Å
143	Q	51.7	Low	50.7	Low	135 Å²	135	141.8 Å²	141.8	63%	0.631	64%	0.638	S	S	*	*	H	α-helix	trans	-68.2	-37	-178.5	-165	168	-2.2	0	0	112.7	K139 F140	K139-Q143 WeakPolarHBondContact O-CB 3.4Å; K139-Q143 PolarHBondContact O-N 2.77Å; F140-Q143 PolarHBondContact O-N 3.08Å; F140-Q143 VanDerWaalsContact O-N 3.17Å
144	F	49	Very low	49.9	Very low	119 Å²	119	135.7 Å²	135.7	52%	0.522	63%	0.625	S	S	.	*	H	α-helix	trans	-80.5	-34.7	172.6	-83.5	-96.2	0	0	0	113.4	F140 V146 R147 Q148	F140-F144 AromaticContact CD1-CD2 3.88Å; F140-F144 HydrophobicContact CD1-CD2 3.88Å; F140-F144 AromaticContact CD1-CE2 3.76Å; F140-F144 HydrophobicContact CD1-CE2 3.76Å; F140-F144 HydrophobicContact CE1-CD2 4.04Å; F140-F144 AromaticContact CE1-CE2 3.41Å; F140-F144 HydrophobicContact CE1-CE2 3.41Å; F140-F144 VanDerWaalsContact CE1-CE2 3.41Å; F140-F144 HydrophobicContact CE1-CZ 4.26Å; F140-F144 HydrophobicContact CZ-CE2 4.07Å; F140-F144 WeakPolarHBondContact O-CD2 3.43Å; F140-F144 PolarHBondContact O-N 2.98Å; F144-V146 VanDerWaalsContact C-N 3.29Å; F144-V146 PolarHBondContact O-N 2.82Å; F144-R147 PolarHBondContact O-N 2.56Å; F144-Q148 PolarHBondContact O-N 2.91Å
145	G	45.8	Very low	49.2	Very low	33 Å²	33	138.8 Å²	138.8	34%	0.34	64%	0.638	S	S	.	*	H	α-helix	trans	-68.5	-23.2	177.4	0	0	0	0	0	114.5	Q141 K142 K149	Q141-G145 PolarHBondContact O-N 3.38Å; K142-G145 PolarHBondContact O-N 2.83Å; G145-K149 PolarHBondContact O-N 2.92Å
146	V	47.4	Very low	48.6	Very low	95 Å²	95	134.3 Å²	134.3	58%	0.576	64%	0.636	S	S	*	*	H	α-helix	trans	-75.4	-35.9	172.8	169.6	0	0	0	0	111.7	K142 F144 K149 W150	K142-V146 VanDerWaalsContact O-CG2 3.27Å; K142-V146 WeakPolarHBondContact O-CG2 3.19Å; K142-V146 PolarHBondContact O-N 3.06Å; K142-V146 VanDerWaalsContact O-N 3.08Å; F144-V146 VanDerWaalsContact C-N 3.29Å; F144-V146 PolarHBondContact O-N 2.82Å; V146-K149 PolarHBondContact O-N 2.97Å; V146-W150 PolarHBondContact O-N 2.75Å; V146-W150 VanDerWaalsContact O-N 3.12Å
147	R	46	Very low	48.1	Very low	179 Å²	179	137.4 Å²	137.4	68%	0.675	65%	0.647	S	S	*	*	H	α-helix	trans	-61.7	-52.8	172.4	-88.6	-176.6	168.4	174.3	-4.9	111.7	F144 K149 W150 D151	F144-R147 PolarHBondContact O-N 2.56Å; R147-K149 PolarHBondContact O-N 3.3Å; R147-K149 VanDerWaalsContact O-N 3.17Å; R147-W150 WeakPolarHBondContact O-CA 3.17Å; R147-W150 WeakPolarHBondContact O-CB 3.28Å; R147-W150 PolarHBondContact O-N 3.04Å; R147-D151 PolarHBondContact O-N 3.16Å
148	Q	43.5	Very low	48.2	Very low	147 Å²	147	135.4 Å²	135.4	69%	0.687	64%	0.64	S	S	*	*	H	α-helix	trans	-61	-28	177.7	-85	-169.4	-34.1	0	0	114.2	F144 Q152	F144-Q148 PolarHBondContact O-N 2.91Å; Q148-Q152 VanDerWaalsContact O-CB 3.26Å; Q148-Q152 WeakPolarHBondContact O-CB 3.37Å; Q148-Q152 PolarHBondContact O-N 2.76Å; Q148-Q152 VanDerWaalsContact O-N 3.11Å
149	K	39.9	Very low	48.8	Very low	164 Å²	164	133.6 Å²	133.6	71%	0.713	63%	0.632	S	S	*	*	H	α-helix	trans	-78.3	-19.9	173.1	-89.3	-166	168.5	-166	0	114.2	G145 V146 R147	G145-K149 PolarHBondContact O-N 2.92Å; V146-K149 PolarHBondContact O-N 2.97Å; R147-K149 PolarHBondContact O-N 3.3Å; R147-K149 VanDerWaalsContact O-N 3.17Å
150	W	42.5	Very low	49.8	Very low	207 Å²	207	130.9 Å²	130.9	78%	0.784	63%	0.631	S	S	*	*	H	α-helix	trans	-78.8	-46.7	168.3	-108.9	55.5	0	0	0	110.5	V146 R147 Q152 K153 S154	V146-W150 PolarHBondContact O-N 2.75Å; V146-W150 VanDerWaalsContact O-N 3.12Å; R147-W150 WeakPolarHBondContact O-CA 3.17Å; R147-W150 WeakPolarHBondContact O-CB 3.28Å; R147-W150 PolarHBondContact O-N 3.04Å; W150-Q152 PolarHBondContact O-N 3.49Å; W150-Q152 VanDerWaalsContact O-N 3.16Å; W150-K153 CarbonylContact O-C 3.53Å; W150-K153 WeakPolarHBondContact O-CA 3.4Å; W150-K153 PolarHBondContact O-N 2.62Å; W150-S154 PolarHBondContact O-N 3Å
151	D	42.8	Very low	51.4	Low	109 Å²	109	127.3 Å²	127.3	58%	0.583	61%	0.614	S	S	*	*	H	α-helix	trans	-62.8	-21.5	176.6	-59.2	-37.4	0	0	0	113.4	R147 S154	R147-D151 PolarHBondContact O-N 3.16Å; D151-S154 PolarHBondContact O-OG 2.75Å
152	Q	39.3	Very low	52.9	Low	160 Å²	160	127.4 Å²	127.4	75%	0.748	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-3.9	174.1	-163.3	159.8	66.7	0	0	113.1	Q148 W150	Q148-Q152 VanDerWaalsContact O-CB 3.26Å; Q148-Q152 WeakPolarHBondContact O-CB 3.37Å; Q148-Q152 PolarHBondContact O-N 2.76Å; Q148-Q152 VanDerWaalsContact O-N 3.11Å; W150-Q152 PolarHBondContact O-N 3.49Å; W150-Q152 VanDerWaalsContact O-N 3.16Å
153	K	41.3	Very low	54.6	Low	169 Å²	169	121.7 Å²	121.7	74%	0.735	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-12	171.2	-146.4	-169.6	-177.1	-161.6	0	112.7	W150 Q155 A156	W150-K153 CarbonylContact O-C 3.53Å; W150-K153 WeakPolarHBondContact O-CA 3.4Å; W150-K153 PolarHBondContact O-N 2.62Å; K153-Q155 VanDerWaalsContact C-N 3.29Å; K153-A156 PolarHBondContact O-N 3.39Å; K153-A156 VanDerWaalsContact O-N 3.09Å
154	S	42.2	Very low	56.5	Low	64 Å²	64	117.2 Å²	117.2	45%	0.448	58%	0.583	S	S	.	*	S	Bend	trans	-77.9	-10.7	166.8	56.1	0	0	0	0	113.3	W150 D151 A156	W150-S154 PolarHBondContact O-N 3Å; D151-S154 PolarHBondContact O-OG 2.75Å; S154-A156 PolarHBondContact O-N 3.38Å; S154-A156 VanDerWaalsContact O-N 3.12Å
155	Q	42.5	Very low	58.6	Low	168 Å²	168	112.4 Å²	112.4	79%	0.785	56%	0.564	S	S	*	*			trans	-78.5	50.1	147.7	-73.5	-168.1	-14.9	0	0	110.7	K153 Q157	K153-Q155 VanDerWaalsContact C-N 3.29Å; Q155-Q157 PolarHBondContact O-N 3.18Å
156	A	47.9	Very low	60.7	Low	70 Å²	70	118.7 Å²	118.7	58%	0.579	58%	0.584	S	S	*	*			trans	-58.2	123.8	148.2	0	0	0	0	0	105.2	K153 S154 L158	K153-A156 PolarHBondContact O-N 3.39Å; K153-A156 VanDerWaalsContact O-N 3.09Å; S154-A156 PolarHBondContact O-N 3.38Å; S154-A156 VanDerWaalsContact O-N 3.12Å; A156-L158 PolarHBondContact O-N 2.98Å
157	Q	50.7	Low	62.8	Low	191 Å²	191	117 Å²	117	89%	0.893	58%	0.575	S	S	*	*			trans	-58	111.7	166.6	-73.1	171.4	-63.6	0	0	105.4	Q155 K159	Q155-Q157 PolarHBondContact O-N 3.18Å; Q157-K159 PolarHBondContact O-N 2.83Å
158	L	61	Low	64.9	Low	86 Å²	86	115.5 Å²	115.5	45%	0.45	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-48.8	128.8	169.1	-74.5	168.4	0	0	0	106	A156 P301 Q303	A156-L158 PolarHBondContact O-N 2.98Å; L158-P301 HydrophobicContact CD2-CG 4.41Å; L158-Q303 HydrophobicContact CD2-CG 4.41Å
159	K	70.4	Confident	67.1	Low	108 Å²	108	115 Å²	115	47%	0.47	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-55.4	143.7	-179.6	-73	-174.8	175.5	-174.5	0	108.4	Q157 R161 E305	Q157-K159 PolarHBondContact O-N 2.83Å; K159-R161 PolarHBondContact O-N 2.82Å; K159-R161 VanDerWaalsContact O-N 3.15Å; K159-E305 WeakPolarHBondContact CD-OE1 3.49Å; K159-E305 VanDerWaalsContact NZ-CD 3.32Å; K159-E305 IonicContact NZ-OE1 2.86Å; K159-E305 PolarHBondContact NZ-OE1 2.9Å
160	P	78.6	Confident	69.4	Low	103 Å²	103	111.3 Å²	111.3	67%	0.669	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-49.2	126.9	165.9	-23	33.6	0	0	0	107.9	N516	P160-N516 WeakPolarHBondContact CA-OD1 3.43Å
161	R	85.4	Confident	71.9	Confident	57 Å²	57	102.2 Å²	102.2	22%	0.215	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-73.9	147.7	174.2	-69.7	178.6	-175.5	75	-1.5	108.8	K159 P515 N516	K159-R161 PolarHBondContact O-N 2.82Å; K159-R161 VanDerWaalsContact O-N 3.15Å; R161-P515 HydrophobicContact CB-CB 3.86Å; R161-P515 VanDerWaalsContact O-CB 3.27Å; R161-P515 WeakPolarHBondContact O-CB 3.13Å; R161-N516 PolarHBondContact N-OD1 3.06Å; R161-N516 PolarHBondContact O-ND2 2.86Å
162	D	86.5	Confident	74.3	Confident	146 Å²	146	102.2 Å²	102.2	78%	0.781	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-75.7	145.6	174.6	-53.3	-56.4	0	0	0	110.7	P515	D162-P515 WeakPolarHBondContact O-CB 3.47Å
163	S	91.7	Very high	77	Confident	46 Å²	46	98 Å²	98	32%	0.322	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-72.3	147.6	171.9	-168.2	0	0	0	0	109.7	V165	S163-V165 WeakPolarHBondContact CB-O 3.46Å; S163-V165 PolarHBondContact O-N 3.2Å; S163-V165 PolarHBondContact OG-O 3.15Å
164	S	92.6	Very high	79.6	Confident	40 Å²	40	93.3 Å²	93.3	28%	0.28	50%	0.496	S	S	.	.	S	Bend	trans	-71.7	-18.2	176.2	57.4	0	0	0	0	112.8	S267 W268 D269 R284	S164-S267 VanDerWaalsContact N-CB 3.3Å; S164-S267 PolarHBondContact N-OG 2.9Å; S164-S267 PolarHBondContact OG-OG 3.13Å; S164-W268 VanDerWaalsContact OG-CA 3.32Å; S164-W268 WeakPolarHBondContact OG-CA 3.39Å; S164-W268 PolarHBondContact OG-N 2.82Å; S164-D269 WeakPolarHBondContact CB-OD1 3.31Å; S164-D269 PolarHBondContact OG-N 3.24Å; S164-D269 PolarHBondContact OG-OD1 3.27Å; S164-R284 PolarHBondContact O-NH2 2.86Å
165	V	92.9	Very high	82.2	Confident	19 Å²	19	93 Å²	93	12%	0.115	49%	0.488	C	S	.	.	S	Bend	trans	-144	150.5	168.1	73	0	0	0	0	111.2	S163 V167 W171 L510 L512 F530	S163-V165 WeakPolarHBondContact CB-O 3.46Å; S163-V165 PolarHBondContact O-N 3.2Å; S163-V165 PolarHBondContact OG-O 3.15Å; V165-V167 PolarHBondContact O-N 2.86Å; V165-W171 HydrophobicContact CG1-CH2 3.81Å; V165-W171 HydrophobicContact CG1-CZ3 3.91Å; V165-W171 HydrophobicContact CG2-CH2 4Å; V165-L510 HydrophobicContact CG1-CD2 3.7Å; V165-L512 HydrophobicContact CG1-CD1 4.35Å; V165-L512 HydrophobicContact CG1-CD2 4.43Å; V165-F530 HydrophobicContact CG2-CE1 3.88Å; V165-F530 HydrophobicContact CG2-CZ 3.81Å
166	E	90.3	Very high	84.7	Confident	164 Å²	164	89.8 Å²	89.8	77%	0.766	47%	0.472	S	S	*	.			trans	-72.9	117.9	173.3	-174.1	172.4	-164.1	0	0	110.3	R168 W171	E166-R168 PolarHBondContact O-N 3.11Å; E166-W171 WeakPolarHBondContact O-CH2 3.35Å
167	V	90.5	Very high	87	Confident	61 Å²	61	86.5 Å²	86.5	37%	0.37	45%	0.445	S	S	.	.			trans	-81.4	111.1	178.3	179.6	0	0	0	0	108.8	V165 W171 L512 Y523	V165-V167 PolarHBondContact O-N 2.86Å; V167-W171 HydrophobicContact CB-CE3 4.37Å; V167-W171 HydrophobicContact CB-CZ3 4.44Å; V167-W171 HydrophobicContact CG1-CE3 4.01Å; V167-W171 HydrophobicContact CG2-CE3 4.43Å; V167-W171 HydrophobicContact CG2-CZ3 4.2Å; V167-L512 HydrophobicContact CG2-CD2 3.37Å; V167-Y523 HydrophobicContact CG1-CE1 3.74Å
168	R	90.3	Very high	89.2	Confident	147 Å²	147	80.9 Å²	80.9	56%	0.555	42%	0.421	S	S	*	.			trans	-79	161.2	177.7	-61.2	-178.5	179.3	178	0.3	111.7	E166 D170 W171	E166-R168 PolarHBondContact O-N 3.11Å; R168-D170 VanDerWaalsContact C-N 3.32Å; R168-D170 WeakPolarHBondContact CB-OD1 3.43Å; R168-D170 PolarHBondContact O-N 3.1Å; R168-W171 HydrophobicContact CB-CG 4.44Å; R168-W171 PolarHBondContact O-N 2.85Å
169	S	88.9	Confident	90.9	Very high	135 Å²	135	76.9 Å²	76.9	94%	0.944	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.6	-175	52.8	0	0	0	0	115.1
170	D	90.1	Very high	92.2	Very high	87 Å²	87	74.8 Å²	74.8	47%	0.465	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.9	176.1	56.3	-15	0	0	0	113.2	R168 P526	R168-D170 VanDerWaalsContact C-N 3.32Å; R168-D170 WeakPolarHBondContact CB-OD1 3.43Å; R168-D170 PolarHBondContact O-N 3.1Å; D170-P526 HydrophobicContact CB-CG 4.37Å
171	W	93.7	Very high	93	Very high	17 Å²	17	74.4 Å²	74.4	6%	0.064	38%	0.383	C	S	.	.			trans	-78.4	121.2	178.9	-67	9.3	0	0	0	112.1	V165 E166 V167 R168 L510 Y523 L525 T529 F530	V165-W171 HydrophobicContact CG1-CH2 3.81Å; V165-W171 HydrophobicContact CG1-CZ3 3.91Å; V165-W171 HydrophobicContact CG2-CH2 4Å; E166-W171 WeakPolarHBondContact O-CH2 3.35Å; V167-W171 HydrophobicContact CB-CE3 4.37Å; V167-W171 HydrophobicContact CB-CZ3 4.44Å; V167-W171 HydrophobicContact CG1-CE3 4.01Å; V167-W171 HydrophobicContact CG2-CE3 4.43Å; V167-W171 HydrophobicContact CG2-CZ3 4.2Å; R168-W171 HydrophobicContact CB-CG 4.44Å; R168-W171 PolarHBondContact O-N 2.85Å; W171-L510 HydrophobicContact CE3-CD2 4.38Å; W171-L510 HydrophobicContact CH2-CD2 3.95Å; W171-L510 HydrophobicContact CZ3-CD2 3.53Å; W171-Y523 HydrophobicContact CB-CD1 3.86Å; W171-Y523 HydrophobicContact CE3-CD1 4.28Å; W171-Y523 HydrophobicContact CE3-CG 4.25Å; W171-L525 HydrophobicContact CD2-CD2 3.65Å; W171-L525 HydrophobicContact CE3-CD2 4.03Å; W171-L525 HydrophobicContact CG-CD2 4.12Å; W171-L525 HydrophobicContact CH2-CD2 4.25Å; W171-L525 HydrophobicContact CZ2-CD2 3.86Å; W171-L525 HydrophobicContact CZ3-CD2 4.32Å; W171-T529 HydrophobicContact CZ2-CG2 4.09Å; W171-F530 HydrophobicContact CH2-CE2 4.35Å; W171-F530 AromaticContact CH2-CZ 3.8Å; W171-F530 HydrophobicContact CH2-CZ 3.8Å; W171-F530 HydrophobicContact CZ2-CE2 4.26Å; W171-F530 AromaticContact CZ2-CZ 3.85Å; W171-F530 HydrophobicContact CZ2-CZ 3.85Å
172	E	93.8	Very high	93.5	Very high	108 Å²	108	71.7 Å²	71.7	51%	0.505	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124	-178.5	-164.9	-163.5	141.9	0	0	111.6	K174 Y523 S524	E172-K174 VanDerWaalsContact CD-CE 3.44Å; E172-K174 PolarHBondContact O-N 2.93Å; E172-K174 WeakPolarHBondContact OE1-CE 3.49Å; E172-K174 IonicContact OE1-NZ 2.76Å; E172-K174 PolarHBondContact OE1-NZ 2.91Å; E172-K174 WeakPolarHBondContact OE2-CE 3.32Å; E172-K174 IonicContact OE2-NZ 2.84Å; E172-K174 PolarHBondContact OE2-NZ 3.16Å; E172-Y523 CarbonylContact O-C 3.52Å; E172-Y523 VanDerWaalsContact O-CA 3.26Å; E172-Y523 WeakPolarHBondContact O-CA 3.49Å; E172-S524 PolarHBondContact N-O 2.89Å; E172-S524 PolarHBondContact O-N 2.99Å
173	V	95.9	Very high	93.9	Very high	72 Å²	72	69.4 Å²	69.4	44%	0.436	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	112.6	173	-178.9	0	0	0	0	109.7	Y523	V173-Y523 HydrophobicContact CG2-CD1 3.86Å; V173-Y523 HydrophobicContact CG2-CE1 3.43Å; V173-Y523 VanDerWaalsContact CG2-CE1 3.43Å
174	K	96.4	Very high	94.1	Very high	71 Å²	71	75 Å²	75	31%	0.309	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-38.8	179.2	-63.9	-65.6	-178.2	-176.5	0	113.6	E172 L504 V522 S524	E172-K174 VanDerWaalsContact CD-CE 3.44Å; E172-K174 PolarHBondContact O-N 2.93Å; E172-K174 WeakPolarHBondContact OE1-CE 3.49Å; E172-K174 IonicContact OE1-NZ 2.76Å; E172-K174 PolarHBondContact OE1-NZ 2.91Å; E172-K174 WeakPolarHBondContact OE2-CE 3.32Å; E172-K174 IonicContact OE2-NZ 2.84Å; E172-K174 PolarHBondContact OE2-NZ 3.16Å; K174-L504 HydrophobicContact CB-CD1 4.15Å; K174-L504 HydrophobicContact CB-CD2 3.81Å; K174-L504 HydrophobicContact CD-CD2 4.32Å; K174-L504 HydrophobicContact CG-CD1 4.42Å; K174-L504 HydrophobicContact CG-CD2 4.16Å; K174-V522 PolarHBondContact N-O 2.91Å; K174-S524 VanDerWaalsContact CE-CB 3.41Å
175	E	95.6	Very high	94.2	Very high	58 Å²	58	75.4 Å²	75.4	27%	0.271	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	145.1	178.6	179.5	74.4	175.8	0	0	110.7	M177 R181 I500 R521 V522	E175-M177 HydrophobicContact CG-CE 4.34Å; E175-M177 HydrophobicContact CG-CG 4.07Å; E175-R181 IonicContact OE1-CZ 2.69Å; E175-R181 VanDerWaalsContact OE1-CZ 3.25Å; E175-R181 IonicContact OE1-NH1 3.34Å; E175-R181 PolarHBondContact OE1-NH1 3.2Å; E175-R181 IonicContact OE1-NH2 2.97Å; E175-R181 PolarHBondContact OE1-NH2 3.12Å; E175-I500 HydrophobicContact CB-CG2 4.22Å; E175-I500 HydrophobicContact CG-CD1 3.93Å; E175-I500 HydrophobicContact CG-CG2 4.46Å; E175-R521 WeakPolarHBondContact O-CA 3.41Å; E175-V522 HydrophobicContact CB-CB 4.44Å; E175-V522 HydrophobicContact CB-CG2 4.36Å; E175-V522 PolarHBondContact N-O 3.2Å; E175-V522 PolarHBondContact O-N 2.89Å
176	E	96.2	Very high	94.3	Very high	99 Å²	99	80.7 Å²	80.7	46%	0.463	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.3	172.6	-175.6	169.1	140.4	0	0	110.6	R181 V519 R521	E176-R181 PolarHBondContact O-NH1 3.25Å; E176-V519 HydrophobicContact CG-CG2 3.31Å; E176-R521 HydrophobicContact CB-CG 4.27Å; E176-R521 HydrophobicContact CG-CG 4.02Å; E176-R521 IonicContact OE1-NH2 3.94Å; E176-R521 PolarHBondContact OE1-NH2 3.25Å; E176-R521 IonicContact OE2-CZ 2.74Å; E176-R521 IonicContact OE2-NE 3.02Å; E176-R521 PolarHBondContact OE2-NE 3.39Å; E176-R521 IonicContact OE2-NH2 3.91Å; E176-R521 PolarHBondContact OE2-NH2 3.17Å
177	M	96.1	Very high	94.5	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114.6	-177.7	-68.2	175.7	-83.6	0	0	111.6	E175 L182 V497 I500 V519 I520 V522	E175-M177 HydrophobicContact CG-CE 4.34Å; E175-M177 HydrophobicContact CG-CG 4.07Å; M177-L182 HydrophobicContact CB-CD1 4.26Å; M177-L182 HydrophobicContact CB-CD2 4.28Å; M177-L182 HydrophobicContact CB-CG 4.29Å; M177-L182 HydrophobicContact SD-CD2 4.08Å; M177-V497 HydrophobicContact CE-CG2 4.38Å; M177-I500 HydrophobicContact CE-CD1 3.61Å; M177-I500 HydrophobicContact CG-CD1 4.5Å; M177-I500 HydrophobicContact SD-CD1 3.41Å; M177-I500 WeakPolarHBondContact SD-CD1 3.48Å; M177-V519 WeakPolarHBondContact O-CA 2.85Å; M177-V519 VanDerWaalsContact O-CG2 3.27Å; M177-V519 WeakPolarHBondContact O-CG2 3.41Å; M177-I520 HydrophobicContact CB-CD1 4.46Å; M177-I520 HydrophobicContact CB-CG1 3.89Å; M177-I520 HydrophobicContact CE-CD1 3.91Å; M177-I520 HydrophobicContact CE-CG1 4.13Å; M177-I520 PolarHBondContact N-O 2.72Å; M177-I520 PolarHBondContact O-N 2.87Å; M177-V522 HydrophobicContact CE-CG2 4.03Å
178	D	96.1	Very high	94.4	Very high	73 Å²	73	77.4 Å²	77.4	39%	0.39	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	154.1	176.3	81.2	-15.5	0	0	0	112.3	P180 R181 L182	D178-P180 VanDerWaalsContact C-N 3.35Å; D178-R181 PolarHBondContact O-N 3.12Å; D178-R181 WeakPolarHBondContact OD1-CB 3.24Å; D178-R181 PolarHBondContact OD1-N 3Å; D178-L182 WeakPolarHBondContact O-CG 3.41Å; D178-L182 PolarHBondContact O-N 3.09Å; D178-L182 VanDerWaalsContact O-N 3.15Å
179	F	97.3	Very high	94.3	Very high	2 Å²	2	77.4 Å²	77.4	1%	0.009	38%	0.38	C	S	.	.	H	α-helix	trans	-61.1	-36.9	179.5	-69.9	11.1	0	0	0	112.8	R181 L182 M183 C261 T262 S264 K513 Q518 I520	F179-R181 VanDerWaalsContact C-N 3.34Å; F179-R181 PolarHBondContact O-N 2.92Å; F179-L182 HydrophobicContact CD1-CD1 4.34Å; F179-L182 PolarHBondContact O-N 3.37Å; F179-M183 WeakPolarHBondContact O-CB 3.41Å; F179-M183 WeakPolarHBondContact O-CG 3.44Å; F179-M183 PolarHBondContact O-N 3.1Å; F179-C261 WeakPolarHBondContact CZ-O 3.35Å; F179-T262 WeakPolarHBondContact CD2-O 3.27Å; F179-S264 WeakPolarHBondContact CE2-O 3.22Å; F179-K513 HydrophobicContact CZ-CD 4.32Å; F179-K513 HydrophobicContact CZ-CG 4.31Å; F179-Q518 HydrophobicContact CB-CB 4.15Å; F179-Q518 VanDerWaalsContact CD1-C 3.4Å; F179-Q518 HydrophobicContact CD1-CB 4.35Å; F179-Q518 VanDerWaalsContact CD1-O 3.3Å; F179-Q518 WeakPolarHBondContact CD1-O 3.39Å; F179-Q518 HydrophobicContact CD2-CB 3.67Å; F179-Q518 HydrophobicContact CD2-CG 3.94Å; F179-Q518 HydrophobicContact CE2-CB 4.11Å; F179-Q518 HydrophobicContact CE2-CG 4.15Å; F179-Q518 HydrophobicContact CG-CB 3.8Å; F179-Q518 PolarHBondContact N-O 3.4Å; F179-I520 HydrophobicContact CE1-CG2 4.29Å
180	P	96.8	Very high	94.4	Very high	65 Å²	65	72.9 Å²	72.9	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-57.9	-33.7	172.2	-29.4	36.5	0	0	0	116	D178 K184	D178-P180 VanDerWaalsContact C-N 3.35Å; P180-K184 WeakPolarHBondContact O-CD 3.41Å; P180-K184 WeakPolarHBondContact O-CE 3.38Å; P180-K184 WeakPolarHBondContact O-CG 3.4Å
181	R	95.5	Very high	94.4	Very high	94 Å²	94	71.2 Å²	71.2	36%	0.355	34%	0.342	S	S	.	.	H	α-helix	trans	-68.9	-49.3	170.2	175.9	175.8	173.8	-162.5	-4.5	110.3	E175 E176 D178 F179 M183 K184 M185	E175-R181 IonicContact OE1-CZ 2.69Å; E175-R181 VanDerWaalsContact OE1-CZ 3.25Å; E175-R181 IonicContact OE1-NH1 3.34Å; E175-R181 PolarHBondContact OE1-NH1 3.2Å; E175-R181 IonicContact OE1-NH2 2.97Å; E175-R181 PolarHBondContact OE1-NH2 3.12Å; E176-R181 PolarHBondContact O-NH1 3.25Å; D178-R181 PolarHBondContact O-N 3.12Å; D178-R181 WeakPolarHBondContact OD1-CB 3.24Å; D178-R181 PolarHBondContact OD1-N 3Å; F179-R181 VanDerWaalsContact C-N 3.34Å; F179-R181 PolarHBondContact O-N 2.92Å; R181-M183 PolarHBondContact O-N 3.05Å; R181-K184 PolarHBondContact O-N 2.92Å; R181-M185 HydrophobicContact CG-CE 3.82Å
182	L	96.3	Very high	94.3	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-38.8	-177.5	-65.8	171.6	0	0	0	113.6	M177 D178 F179 K184 M185 T262 N489 I493 I520	M177-L182 HydrophobicContact CB-CD1 4.26Å; M177-L182 HydrophobicContact CB-CD2 4.28Å; M177-L182 HydrophobicContact CB-CG 4.29Å; M177-L182 HydrophobicContact SD-CD2 4.08Å; D178-L182 WeakPolarHBondContact O-CG 3.41Å; D178-L182 PolarHBondContact O-N 3.09Å; D178-L182 VanDerWaalsContact O-N 3.15Å; F179-L182 HydrophobicContact CD1-CD1 4.34Å; F179-L182 PolarHBondContact O-N 3.37Å; L182-K184 PolarHBondContact O-N 3.28Å; L182-K184 VanDerWaalsContact O-N 3.15Å; L182-M185 WeakPolarHBondContact O-CB 3.27Å; L182-M185 PolarHBondContact O-N 2.93Å; L182-M185 VanDerWaalsContact O-N 3.16Å; L182-T262 HydrophobicContact CB-CG2 3.62Å; L182-N489 PolarHBondContact O-ND2 3.24Å; L182-I493 HydrophobicContact CB-CD1 4.32Å; L182-I493 HydrophobicContact CB-CG1 4.15Å; L182-I493 HydrophobicContact CD2-CG1 4.37Å; L182-I493 HydrophobicContact CD2-CG2 4.39Å; L182-I493 WeakPolarHBondContact O-CG1 3.45Å; L182-I520 HydrophobicContact CD1-CD1 3.76Å; L182-I520 HydrophobicContact CD1-CG1 3.97Å
183	M	95.6	Very high	94.4	Very high	98 Å²	98	74 Å²	74	48%	0.483	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18	176.6	-74.6	-176.8	176.9	0	0	114	F179 R181 R186 T262 N489	F179-M183 WeakPolarHBondContact O-CB 3.41Å; F179-M183 WeakPolarHBondContact O-CG 3.44Å; F179-M183 PolarHBondContact O-N 3.1Å; R181-M183 PolarHBondContact O-N 3.05Å; M183-R186 PolarHBondContact O-NH1 2.89Å; M183-T262 HydrophobicContact CG-CG2 3.88Å; M183-N489 PolarHBondContact O-ND2 2.86Å
184	K	95.9	Very high	94.4	Very high	165 Å²	165	75 Å²	75	72%	0.717	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-14.2	178.1	-64.7	173.8	-170.6	173.3	0	113.4	P180 R181 L182	P180-K184 WeakPolarHBondContact O-CD 3.41Å; P180-K184 WeakPolarHBondContact O-CE 3.38Å; P180-K184 WeakPolarHBondContact O-CG 3.4Å; R181-K184 PolarHBondContact O-N 2.92Å; L182-K184 PolarHBondContact O-N 3.28Å; L182-K184 VanDerWaalsContact O-N 3.15Å
185	M	94.9	Very high	94.4	Very high	47 Å²	47	74.2 Å²	74.2	23%	0.232	37%	0.369	C	S	.	.			trans	-62.1	141.2	177.5	-62.3	-60	-176.7	0	0	110.8	R181 L182 N489 I493 C496	R181-M185 HydrophobicContact CG-CE 3.82Å; L182-M185 WeakPolarHBondContact O-CB 3.27Å; L182-M185 PolarHBondContact O-N 2.93Å; L182-M185 VanDerWaalsContact O-N 3.16Å; M185-N489 WeakPolarHBondContact O-CA 3.3Å; M185-N489 PolarHBondContact O-ND2 3.15Å; M185-I493 HydrophobicContact CB-CG1 4.34Å; M185-C496 HydrophobicContact CE-CB 4.27Å; M185-C496 HydrophobicContact SD-CB 4.45Å
186	R	94.5	Very high	94.4	Very high	130 Å²	130	74.1 Å²	74.1	49%	0.491	37%	0.37	S	S	.	.			trans	-143.4	141.3	175.7	-67.2	-63.9	-178.5	-77.9	1.4	109.1	M183 E488 N489	M183-R186 PolarHBondContact O-NH1 2.89Å; R186-E488 CarbonylContact C-O 3.54Å; R186-E488 WeakPolarHBondContact CA-O 3.44Å; R186-N489 PolarHBondContact NH1-ND2 2.84Å
187	Y	94.6	Very high	94.4	Very high	32 Å²	32	70.9 Å²	70.9	13%	0.125	35%	0.354	C	S	.	.			trans	-143.6	126.7	170.5	-169.7	-109.8	0	0	0	109.2	E189 V190 L368 G369 E488 W491 R495	Y187-E189 HydrophobicContact CE1-CB 4.45Å; Y187-E189 WeakPolarHBondContact CE1-O 3.26Å; Y187-E189 HydrophobicContact CE2-CB 4.39Å; Y187-E189 PolarHBondContact OH-O 2.91Å; Y187-V190 HydrophobicContact CD1-CG2 3.56Å; Y187-V190 HydrophobicContact CE1-CG2 3.8Å; Y187-L368 HydrophobicContact CD1-CD2 4.43Å; Y187-L368 HydrophobicContact CE1-CB 4.13Å; Y187-L368 HydrophobicContact CE1-CD2 3.95Å; Y187-G369 WeakPolarHBondContact OH-CA 3.47Å; Y187-G369 PolarHBondContact OH-N 2.66Å; Y187-E488 PolarHBondContact N-O 3.35Å; Y187-E488 WeakPolarHBondContact O-CA 3.27Å; Y187-W491 HydrophobicContact CD1-CB 4.27Å; Y187-R495 HydrophobicContact CD2-CG 4.26Å; Y187-R495 HydrophobicContact CE2-CG 4.48Å; Y187-R495 HydrophobicContact CG-CB 4.44Å
188	M	88.7	Confident	94.4	Very high	124 Å²	124	71.9 Å²	71.9	61%	0.611	36%	0.361	S	S	*	.			trans	-111.2	-25.1	-171.8	-60.6	-56.3	-61.7	0	0	113.2	V190 E488	M188-V190 PolarHBondContact O-N 2.95Å; M188-E488 HydrophobicContact CE-CG 3.94Å; M188-E488 WeakPolarHBondContact CE-OE1 3.36Å; M188-E488 HydrophobicContact SD-CB 3.71Å; M188-E488 HydrophobicContact SD-CG 3.45Å; M188-E488 WeakPolarHBondContact SD-CG 3.33Å
189	E	87	Confident	94.4	Very high	148 Å²	148	68.5 Å²	68.5	69%	0.692	34%	0.343	S	S	*	.			trans	-87.2	54.7	-170.2	-63.9	175.3	170.7	0	0	111.1	Y187	Y187-E189 HydrophobicContact CE1-CB 4.45Å; Y187-E189 WeakPolarHBondContact CE1-O 3.26Å; Y187-E189 HydrophobicContact CE2-CB 4.39Å; Y187-E189 PolarHBondContact OH-O 2.91Å
190	V	91.2	Very high	94.3	Very high	39 Å²	39	68.6 Å²	68.6	24%	0.236	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-99.7	119.3	176.2	-176	0	0	0	0	108	Y187 M188 L368 W491	Y187-V190 HydrophobicContact CD1-CG2 3.56Å; Y187-V190 HydrophobicContact CE1-CG2 3.8Å; M188-V190 PolarHBondContact O-N 2.95Å; V190-L368 HydrophobicContact CB-CD2 4.33Å; V190-L368 HydrophobicContact CG1-CD2 3.97Å; V190-L368 HydrophobicContact CG2-CD2 3.85Å; V190-W491 HydrophobicContact CG1-CD2 4.25Å; V190-W491 HydrophobicContact CG1-CH2 4.45Å; V190-W491 HydrophobicContact CG1-CZ2 3.96Å; V190-W491 HydrophobicContact CG2-CB 4.02Å; V190-W491 HydrophobicContact CG2-CD2 3.9Å; V190-W491 HydrophobicContact CG2-CE3 4.49Å; V190-W491 HydrophobicContact CG2-CG 3.67Å
191	S	90.1	Very high	94.2	Very high	53 Å²	53	66.7 Å²	66.7	37%	0.371	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-68.7	155.4	172.7	71.2	0	0	0	0	111.1	K367	S191-K367 PolarHBondContact OG-N 2.97Å
192	D	91.3	Very high	94.3	Very high	150 Å²	150	62.2 Å²	62.2	80%	0.802	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-58.4	141.9	162.2	-75.1	-44	0	0	0	109.8
193	P	95.6	Very high	94.3	Very high	32 Å²	32	62.2 Å²	62.2	21%	0.208	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-72	149.3	-179.3	23.3	-30.3	0	0	0	113.4	R364 H365 W366	P193-R364 HydrophobicContact CB-CB 4.28Å; P193-R364 VanDerWaalsContact CG-CZ 3.48Å; P193-H365 CarbonylContact C-O 3.1Å; P193-H365 VanDerWaalsContact CA-O 3.22Å; P193-H365 WeakPolarHBondContact CA-O 3.33Å; P193-W366 HydrophobicContact CB-CD2 3.84Å; P193-W366 VanDerWaalsContact CB-CE2 3.48Å; P193-W366 HydrophobicContact CB-CE3 4.33Å; P193-W366 HydrophobicContact CB-CG 4.28Å; P193-W366 HydrophobicContact CB-CH2 4.22Å; P193-W366 HydrophobicContact CB-CZ2 3.7Å; P193-W366 HydrophobicContact CB-CZ3 4.5Å; P193-W366 HydrophobicContact CG-CZ2 3.75Å
194	V	96.7	Very high	94.4	Very high	93 Å²	93	60 Å²	60	56%	0.564	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	126	167.3	-175.4	0	0	0	0	109.2	I196 R364 H365	V194-I196 PolarHBondContact O-N 2.96Å; V194-R364 WeakPolarHBondContact O-CA 3.38Å; V194-H365 PolarHBondContact N-O 3.5Å; V194-H365 PolarHBondContact O-N 2.93Å
195	D	96.5	Very high	94.4	Very high	56 Å²	56	52.5 Å²	52.5	30%	0.299	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	116.7	172.9	-68.8	13.6	0	0	0	108.8	R362 R364	D195-R362 WeakPolarHBondContact OD2-CD 3.31Å; D195-R362 IonicContact OD2-CZ 3.22Å; D195-R362 IonicContact OD2-NE 2.87Å; D195-R362 IonicContact OD2-NH1 2.71Å; D195-R362 PolarHBondContact OD2-NH1 3.32Å; D195-R364 IonicContact OD1-CZ 2.66Å; D195-R364 VanDerWaalsContact OD1-CZ 3.27Å; D195-R364 IonicContact OD1-NE 3.67Å; D195-R364 PolarHBondContact OD1-NE 3.27Å; D195-R364 IonicContact OD1-NH2 3.74Å; D195-R364 PolarHBondContact OD1-NH2 3.37Å
196	I	95.9	Very high	94.5	Very high	56 Å²	56	51.9 Å²	51.9	29%	0.287	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-54.4	179.6	-57.1	159.4	0	0	0	110.6	V194 L241 Q245 Y363 H365 I375	V194-I196 PolarHBondContact O-N 2.96Å; I196-L241 HydrophobicContact CD1-CD1 4.41Å; I196-L241 HydrophobicContact CG2-CD2 3.75Å; I196-Q245 VanDerWaalsContact CD1-NE2 3.34Å; I196-Y363 WeakPolarHBondContact CB-O 3.48Å; I196-Y363 PolarHBondContact N-O 3.43Å; I196-H365 HydrophobicContact CD1-CB 3.79Å; I196-H365 HydrophobicContact CG1-CB 4.05Å; I196-I375 HydrophobicContact CD1-CD1 3.82Å; I196-I375 HydrophobicContact CD1-CG1 4.11Å; I196-I375 HydrophobicContact CD1-CG2 4.25Å
197	E	95.8	Very high	94.5	Very high	31 Å²	31	50.3 Å²	50.3	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138.1	-174.1	-156.7	173.1	142.3	0	0	108.6	K240 N342 Y363	E197-K240 IonicContact OE1-NZ 3.69Å; E197-K240 IonicContact OE2-NZ 3.41Å; E197-K240 PolarHBondContact OE2-NZ 3.17Å; E197-N342 VanDerWaalsContact CD-ND2 3.27Å; E197-N342 WeakPolarHBondContact CG-ND2 3.46Å; E197-N342 PolarHBondContact OE1-ND2 2.86Å; E197-Y363 HydrophobicContact CB-CD2 4.11Å; E197-Y363 PolarHBondContact N-O 3.07Å; E197-Y363 PolarHBondContact O-N 3.42Å
198	C	97.1	Very high	94.5	Very high	22 Å²	22	50.3 Å²	50.3	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.4	-178.7	-64.5	0	0	0	0	109.6	F340 N342 Y361	C198-F340 HydrophobicContact CB-CB 4.39Å; C198-F340 HydrophobicContact CB-CD1 3.39Å; C198-F340 HydrophobicContact CB-CE1 3.85Å; C198-F340 HydrophobicContact CB-CG 4.11Å; C198-N342 PolarHBondContact O-N 2.83Å; C198-Y361 WeakPolarHBondContact CA-O 3.11Å
199	C	96.1	Very high	94.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.6	-163.1	-59.3	0	0	0	0	111.7	N342 P343 A360 Y361	C199-N342 CarbonylContact C-O 3.45Å; C199-N342 WeakPolarHBondContact CA-O 3.4Å; C199-N342 HydrophobicContact CB-CB 4.38Å; C199-P343 VanDerWaalsContact CB-O 3.31Å; C199-P343 WeakPolarHBondContact CB-O 3.42Å; C199-A360 CarbonylContact O-C 3.52Å; C199-A360 VanDerWaalsContact O-CA 3.23Å; C199-A360 WeakPolarHBondContact O-CA 3.43Å; C199-A360 WeakPolarHBondContact O-CB 3.28Å; C199-Y361 PolarHBondContact N-O 2.9Å; C199-Y361 PolarHBondContact O-N 3.23Å
200	G	95.4	Very high	95.4	Very high	5 Å²	5	40.6 Å²	40.6	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.9	-163.8	173.1	0	0	0	0	0	114.9	F340 N342 P343	G200-F340 PolarHBondContact O-N 3.37Å; G200-N342 PolarHBondContact N-O 3.49Å; G200-P343 PolarHBondContact N-O 3.17Å
201	A	94.5	Very high	95.6	Very high	24 Å²	24	47.5 Å²	47.5	20%	0.198	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	137.2	-172.5	0	0	0	0	0	112.3	R337 H338 K339 V359	A201-R337 HydrophobicContact CB-CB 4.33Å; A201-H338 WeakPolarHBondContact CA-O 3.23Å; A201-K339 HydrophobicContact CB-CG 4.28Å; A201-V359 PolarHBondContact N-O 3.32Å; A201-V359 PolarHBondContact O-N 3.18Å
202	L	96.5	Very high	95.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.5	-173.1	-62.6	178.1	0	0	0	111.5	R337 H338 F340 A360 H380 V383 F393	L202-R337 CarbonylContact O-C 3.59Å; L202-R337 VanDerWaalsContact O-CA 3.31Å; L202-R337 WeakPolarHBondContact O-CA 3.26Å; L202-H338 PolarHBondContact N-O 3.15Å; L202-H338 PolarHBondContact O-N 2.81Å; L202-F340 HydrophobicContact CD1-CE2 3.83Å; L202-F340 HydrophobicContact CG-CE2 4.27Å; L202-A360 HydrophobicContact CD1-CB 3.95Å; L202-A360 HydrophobicContact CD2-CB 3.65Å; L202-A360 HydrophobicContact CG-CB 3.68Å; L202-H380 HydrophobicContact CD1-CB 3.89Å; L202-H380 HydrophobicContact CD2-CB 4.32Å; L202-H380 WeakPolarHBondContact CD2-O 3.48Å; L202-V383 HydrophobicContact CB-CG1 3.95Å; L202-V383 HydrophobicContact CB-CG2 4.2Å; L202-V383 HydrophobicContact CD1-CG1 3.61Å; L202-V383 HydrophobicContact CG-CG1 4.42Å; L202-F393 HydrophobicContact CD1-CD1 3.76Å; L202-F393 HydrophobicContact CD1-CE1 4.04Å
203	E	96.6	Very high	96.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	151	168.1	-70.9	-177.6	178.5	0	0	110.9	R225 L331 M333 R337 S358 V383	E203-R225 IonicContact OE1-NH2 2.85Å; E203-R225 PolarHBondContact OE1-NH2 3.24Å; E203-L331 HydrophobicContact CB-CB 3.83Å; E203-L331 HydrophobicContact CB-CD1 4.05Å; E203-L331 HydrophobicContact CB-CG 4.49Å; E203-M333 VanDerWaalsContact OE2-CA 3.26Å; E203-M333 WeakPolarHBondContact OE2-CA 3.44Å; E203-M333 WeakPolarHBondContact OE2-CG 3.46Å; E203-M333 PolarHBondContact OE2-N 3.46Å; E203-R337 HydrophobicContact CG-CG 3.74Å; E203-R337 IonicContact OE1-CZ 3.78Å; E203-R337 IonicContact OE1-NE 3.46Å; E203-R337 PolarHBondContact OE1-NE 3.3Å; E203-R337 IonicContact OE1-NH2 3.85Å; E203-R337 PolarHBondContact OE1-NH2 2.88Å; E203-S358 PolarHBondContact N-OG 2.73Å; E203-V383 PolarHBondContact O-N 3.03Å
204	Y	97.1	Very high	96.1	Very high	52 Å²	52	40.1 Å²	40.1	20%	0.204	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-77.4	133.1	178	-75.9	-94.4	0	0	0	111.8	D206 R332 E336 H338 V383	Y204-D206 PolarHBondContact O-N 2.7Å; Y204-R332 WeakPolarHBondContact O-CB 3.26Å; Y204-R332 WeakPolarHBondContact O-CG 3.33Å; Y204-R332 PolarHBondContact O-N 3.07Å; Y204-E336 WeakPolarHBondContact CD2-O 3.36Å; Y204-H338 HydrophobicContact CE2-CB 4.28Å; Y204-V383 CarbonylContact C-O 3.57Å; Y204-V383 WeakPolarHBondContact CA-O 3.46Å; Y204-V383 HydrophobicContact CD1-CG2 3.71Å; Y204-V383 HydrophobicContact CD2-CG2 4.12Å; Y204-V383 HydrophobicContact CE1-CG2 3.76Å; Y204-V383 HydrophobicContact CE2-CG2 4.18Å; Y204-V383 HydrophobicContact CG-CG2 3.89Å
205	Y	97.3	Very high	96	Very high	6 Å²	6	46.8 Å²	46.8	2%	0.024	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-62.1	129.5	174.8	-176.5	-97.8	0	0	0	112.1	K207 D210 C330 L331 V383 M384 I394 K451	Y205-K207 HydrophobicContact CD1-CG 4.37Å; Y205-K207 PolarHBondContact O-N 3.26Å; Y205-D210 WeakPolarHBondContact CE1-OD2 3.45Å; Y205-D210 PolarHBondContact OH-OD1 3.4Å; Y205-C330 HydrophobicContact CD2-CB 4.29Å; Y205-C330 HydrophobicContact CE2-CB 3.79Å; Y205-L331 HydrophobicContact CD2-CD2 4.2Å; Y205-V383 WeakPolarHBondContact CB-O 3.36Å; Y205-V383 PolarHBondContact N-O 3.06Å; Y205-M384 HydrophobicContact CD1-CE 4.34Å; Y205-I394 HydrophobicContact CD2-CD1 3.66Å; Y205-I394 HydrophobicContact CG-CD1 3.89Å; Y205-K451 HydrophobicContact CE2-CD 4.36Å; Y205-K451 HydrophobicContact CE2-CG 4.3Å
206	D	96.1	Very high	96	Very high	34 Å²	34	48.2 Å²	48.2	18%	0.182	23%	0.229	C	C	.	.			trans	-82.3	99.3	174.7	-177.4	25	0	0	0	111.4	Y204 A208 F209 C330 R332	Y204-D206 PolarHBondContact O-N 2.7Å; D206-A208 PolarHBondContact O-N 3Å; D206-A208 WeakPolarHBondContact OD1-CB 3.37Å; D206-A208 PolarHBondContact OD1-N 3.24Å; D206-A208 VanDerWaalsContact OD1-N 3.17Å; D206-A208 WeakPolarHBondContact OD2-CB 3.26Å; D206-F209 HydrophobicContact CB-CD2 3.88Å; D206-F209 HydrophobicContact CB-CE2 4.13Å; D206-F209 WeakPolarHBondContact O-CB 3.16Å; D206-F209 WeakPolarHBondContact O-CD2 3.01Å; D206-F209 PolarHBondContact O-N 2.7Å; D206-C330 PolarHBondContact N-O 2.97Å; D206-R332 HydrophobicContact CB-CG 3.93Å; D206-R332 IonicContact OD1-NE 3.72Å; D206-R332 IonicContact OD1-NH2 3.59Å
207	K	94.5	Very high	96	Very high	97 Å²	97	48.7 Å²	48.7	42%	0.422	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-12.2	174.2	-62.8	-174.4	-178.4	-179.3	0	114.4	Y205 F209 D210 T385	Y205-K207 HydrophobicContact CD1-CG 4.37Å; Y205-K207 PolarHBondContact O-N 3.26Å; K207-F209 PolarHBondContact O-N 3.19Å; K207-D210 PolarHBondContact O-N 2.8Å; K207-T385 WeakPolarHBondContact CE-O 3.22Å; K207-T385 PolarHBondContact NZ-O 3.06Å
208	A	95.6	Very high	96.1	Very high	33 Å²	33	51.1 Å²	51.1	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.1	170	0	0	0	0	0	113.3	D206 D210 R211	D206-A208 PolarHBondContact O-N 3Å; D206-A208 WeakPolarHBondContact OD1-CB 3.37Å; D206-A208 PolarHBondContact OD1-N 3.24Å; D206-A208 VanDerWaalsContact OD1-N 3.17Å; D206-A208 WeakPolarHBondContact OD2-CB 3.26Å; A208-D210 VanDerWaalsContact C-N 3.3Å; A208-D210 PolarHBondContact O-N 2.62Å; A208-R211 PolarHBondContact O-N 3.49Å
209	F	97	Very high	96.1	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.013	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66.7	-29	176.1	-79.7	-106.7	0	0	0	113.1	D206 K207 R211 I212 K218 F326 Q329 C330 I468 T471	D206-F209 HydrophobicContact CB-CD2 3.88Å; D206-F209 HydrophobicContact CB-CE2 4.13Å; D206-F209 WeakPolarHBondContact O-CB 3.16Å; D206-F209 WeakPolarHBondContact O-CD2 3.01Å; D206-F209 PolarHBondContact O-N 2.7Å; K207-F209 PolarHBondContact O-N 3.19Å; F209-R211 PolarHBondContact O-N 3.42Å; F209-R211 VanDerWaalsContact O-N 3.1Å; F209-I212 HydrophobicContact CB-CD1 4.14Å; F209-I212 HydrophobicContact CD1-CD1 3.52Å; F209-I212 HydrophobicContact CE1-CD1 4.16Å; F209-I212 HydrophobicContact CG-CD1 3.96Å; F209-I212 WeakPolarHBondContact O-CB 3.43Å; F209-I212 WeakPolarHBondContact O-CG1 3.18Å; F209-I212 PolarHBondContact O-N 2.63Å; F209-I212 VanDerWaalsContact O-N 3.08Å; F209-K218 HydrophobicContact CE1-CD 3.93Å; F209-K218 HydrophobicContact CZ-CD 3.98Å; F209-F326 HydrophobicContact CD1-CE2 4.49Å; F209-Q329 HydrophobicContact CE1-CG 4.32Å; F209-Q329 WeakPolarHBondContact CE2-O 3.34Å; F209-Q329 HydrophobicContact CZ-CG 4.08Å; F209-Q329 WeakPolarHBondContact CZ-O 3.31Å; F209-C330 HydrophobicContact CD1-CB 4.02Å; F209-C330 HydrophobicContact CD2-CB 4.43Å; F209-C330 HydrophobicContact CE1-CB 4.22Å; F209-C330 HydrophobicContact CG-CB 4.13Å; F209-I468 HydrophobicContact CD1-CD1 4.34Å; F209-I468 HydrophobicContact CE1-CD1 3.76Å; F209-T471 HydrophobicContact CB-CG2 4.15Å; F209-T471 PolarHBondContact O-OG1 3.24Å
210	D	95.7	Very high	96.2	Very high	64 Å²	64	56.8 Å²	56.8	34%	0.342	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-66.7	-8.7	174.3	-65	-35	0	0	0	113.4	Y205 K207 A208 K451 T471	Y205-D210 WeakPolarHBondContact CE1-OD2 3.45Å; Y205-D210 PolarHBondContact OH-OD1 3.4Å; K207-D210 PolarHBondContact O-N 2.8Å; A208-D210 VanDerWaalsContact C-N 3.3Å; A208-D210 PolarHBondContact O-N 2.62Å; D210-K451 IonicContact OD1-NZ 3.82Å; D210-K451 PolarHBondContact OD1-NZ 2.81Å; D210-K451 IonicContact OD2-NZ 2.78Å; D210-K451 PolarHBondContact OD2-NZ 2.99Å; D210-T471 WeakPolarHBondContact CA-OG1 3.27Å; D210-T471 PolarHBondContact OD1-OG1 3.41Å
211	R	95.9	Very high	96.3	Very high	184 Å²	184	63.1 Å²	63.1	69%	0.694	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-102.3	8.7	175.2	-58.8	-175.5	-67.2	-168	-2.3	113.5	A208 F209 N216	A208-R211 PolarHBondContact O-N 3.49Å; F209-R211 PolarHBondContact O-N 3.42Å; F209-R211 VanDerWaalsContact O-N 3.1Å; R211-N216 PolarHBondContact O-ND2 2.92Å
212	I	97.4	Very high	96.3	Very high	13 Å²	13	65.9 Å²	65.9	7%	0.067	31%	0.309	C	S	.	.			trans	-79.6	133.3	172.4	-60.6	170.5	0	0	0	109	F209 K218 I468	F209-I212 HydrophobicContact CB-CD1 4.14Å; F209-I212 HydrophobicContact CD1-CD1 3.52Å; F209-I212 HydrophobicContact CE1-CD1 4.16Å; F209-I212 HydrophobicContact CG-CD1 3.96Å; F209-I212 WeakPolarHBondContact O-CB 3.43Å; F209-I212 WeakPolarHBondContact O-CG1 3.18Å; F209-I212 PolarHBondContact O-N 2.63Å; F209-I212 VanDerWaalsContact O-N 3.08Å; I212-K218 HydrophobicContact CD1-CB 3.91Å; I212-K218 HydrophobicContact CD1-CD 3.94Å; I212-I468 HydrophobicContact CD1-CG2 4.09Å; I212-I468 HydrophobicContact CG2-CG2 4.41Å; I212-I468 WeakPolarHBondContact CG2-O 3.42Å
213	T	96	Very high	96.2	Very high	45 Å²	45	67 Å²	67	28%	0.276	32%	0.315	S	S	.	.			trans	-132.1	171.4	177	75.6	0	0	0	0	108.7	R215 N216 E217 D417 L469	T213-R215 PolarHBondContact O-N 2.68Å; T213-R215 PolarHBondContact OG1-N 3.49Å; T213-N216 WeakPolarHBondContact CA-OD1 3.36Å; T213-N216 VanDerWaalsContact CB-OD1 3.31Å; T213-N216 WeakPolarHBondContact CB-OD1 3.13Å; T213-N216 PolarHBondContact N-OD1 2.83Å; T213-N216 CarbonylContact O-C 3.1Å; T213-N216 PolarHBondContact O-N 2.85Å; T213-N216 VanDerWaalsContact O-N 3.14Å; T213-N216 PolarHBondContact O-OD1 2.98Å; T213-N216 PolarHBondContact OG1-OD1 2.88Å; T213-E217 PolarHBondContact O-N 2.89Å; T213-D417 WeakPolarHBondContact CB-OD2 3.37Å; T213-L469 CarbonylContact C-O 3.56Å; T213-L469 WeakPolarHBondContact CA-O 3.5Å
214	T	95.1	Very high	95.9	Very high	22 Å²	22	76.4 Å²	76.4	14%	0.135	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.9	-178.2	75.4	0	0	0	0	113.3	R413 L416 D417 L469	T214-R413 PolarHBondContact OG1-O 3.43Å; T214-L416 HydrophobicContact CG2-CB 3.82Å; T214-L416 HydrophobicContact CG2-CD2 4.37Å; T214-D417 PolarHBondContact N-OD2 2.93Å; T214-D417 PolarHBondContact OG1-OD2 2.86Å; T214-D417 VanDerWaalsContact OG1-OD2 3.06Å; T214-L469 HydrophobicContact CG2-CB 4.43Å; T214-L469 PolarHBondContact N-O 2.91Å
215	R	94.6	Very high	95.7	Very high	233 Å²	233	75.9 Å²	75.9	88%	0.879	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-17.9	178.6	-58.5	-173.8	-179	-148.1	-0.1	114.4	T213	T213-R215 PolarHBondContact O-N 2.68Å; T213-R215 PolarHBondContact OG1-N 3.49Å
216	N	96.5	Very high	95.5	Very high	86 Å²	86	78.4 Å²	78.4	46%	0.46	37%	0.367	S	S	.	.	S	Bend	trans	-126.6	47.4	174.3	66	-32.8	0	0	0	109.7	R211 T213	R211-N216 PolarHBondContact O-ND2 2.92Å; T213-N216 WeakPolarHBondContact CA-OD1 3.36Å; T213-N216 VanDerWaalsContact CB-OD1 3.31Å; T213-N216 WeakPolarHBondContact CB-OD1 3.13Å; T213-N216 PolarHBondContact N-OD1 2.83Å; T213-N216 CarbonylContact O-C 3.1Å; T213-N216 PolarHBondContact O-N 2.85Å; T213-N216 VanDerWaalsContact O-N 3.14Å; T213-N216 PolarHBondContact O-OD1 2.98Å; T213-N216 PolarHBondContact OG1-OD1 2.88Å
217	E	96.1	Very high	95.4	Very high	67 Å²	67	79.6 Å²	79.6	31%	0.313	37%	0.37	S	S	.	.			trans	-56.9	144.3	177.4	57.8	172.9	-134.9	0	0	111.6	T213 R413 V467 I468 L469	T213-E217 PolarHBondContact O-N 2.89Å; E217-R413 IonicContact OE2-CZ 2.66Å; E217-R413 IonicContact OE2-NE 2.77Å; E217-R413 PolarHBondContact OE2-NE 3.07Å; E217-R413 VanDerWaalsContact OE2-NE 3.15Å; E217-R413 IonicContact OE2-NH2 3.43Å; E217-V467 HydrophobicContact CB-CB 4.35Å; E217-I468 WeakPolarHBondContact CA-O 3.17Å; E217-I468 WeakPolarHBondContact CB-O 3.18Å; E217-L469 HydrophobicContact CB-CD2 3.95Å; E217-L469 VanDerWaalsContact OE2-CD2 3.24Å; E217-L469 WeakPolarHBondContact OE2-CD2 3.4Å
218	K	97.6	Very high	95.4	Very high	82 Å²	82	76.8 Å²	76.8	36%	0.357	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.2	-177.9	-174	174.1	-178.1	175.1	0	109.3	F209 I212 L220 I468	F209-K218 HydrophobicContact CE1-CD 3.93Å; F209-K218 HydrophobicContact CZ-CD 3.98Å; I212-K218 HydrophobicContact CD1-CB 3.91Å; I212-K218 HydrophobicContact CD1-CD 3.94Å; K218-L220 PolarHBondContact O-N 2.92Å; K218-I468 HydrophobicContact CB-CB 4.43Å; K218-I468 PolarHBondContact N-O 2.76Å; K218-I468 VanDerWaalsContact N-O 3.07Å; K218-I468 WeakPolarHBondContact O-CB 3.25Å; K218-I468 PolarHBondContact O-N 3.41Å
219	Q	97.6	Very high	95.3	Very high	129 Å²	129	78.5 Å²	78.5	60%	0.603	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	131.6	178.4	-170.8	178.4	-2.4	0	0	111.2	Q329	Q219-Q329 PolarHBondContact O-NE2 2.83Å
220	L	98.1	Very high	95.2	Very high	12 Å²	12	80 Å²	80	6%	0.063	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-70.2	129.4	169.7	-166.7	80.4	0	0	0	108.3	K218 I322 N325 F326 Q329 V455 H466 I468	K218-L220 PolarHBondContact O-N 2.92Å; L220-I322 HydrophobicContact CD2-CB 4.45Å; L220-I322 HydrophobicContact CD2-CG1 4.2Å; L220-I322 HydrophobicContact CD2-CG2 4.37Å; L220-N325 HydrophobicContact CD1-CB 4.34Å; L220-N325 HydrophobicContact CD2-CB 4.09Å; L220-N325 HydrophobicContact CG-CB 4.2Å; L220-F326 HydrophobicContact CD1-CB 4Å; L220-F326 HydrophobicContact CD1-CD2 4.36Å; L220-Q329 VanDerWaalsContact CA-OE1 3.3Å; L220-V455 HydrophobicContact CD1-CG2 4.34Å; L220-V455 HydrophobicContact CD2-CG1 4.26Å; L220-H466 HydrophobicContact CB-CB 3.91Å; L220-H466 WeakPolarHBondContact CB-O 3.33Å; L220-H466 HydrophobicContact CD2-CB 3.92Å; L220-H466 PolarHBondContact N-O 3.03Å; L220-I468 HydrophobicContact CD1-CD1 4.13Å; L220-I468 HydrophobicContact CD1-CG1 4Å
221	K	96.6	Very high	95.2	Very high	138 Å²	138	77 Å²	77	60%	0.6	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-98.7	143.7	178.3	-67.8	-174.5	176.3	-172.2	0	109.4	I223 N325	K221-I223 HydrophobicContact CB-CG1 4.33Å; K221-I223 PolarHBondContact O-N 3.36Å; K221-N325 WeakPolarHBondContact O-CB 3.46Å; K221-N325 PolarHBondContact O-OD1 2.85Å
222	S	94.6	Very high	95.3	Very high	82 Å²	82	68.3 Å²	68.3	57%	0.573	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-70.3	118.3	163.1	-161.6	0	0	0	0	108.2	Y321 N325	S222-Y321 VanDerWaalsContact CB-OH 3.26Å; S222-Y321 WeakPolarHBondContact CB-OH 3.31Å; S222-Y321 PolarHBondContact OG-OH 3.04Å; S222-N325 WeakPolarHBondContact CA-OD1 3.46Å
223	I	93.3	Very high	95.1	Very high	24 Å²	24	69.6 Å²	69.6	12%	0.123	34%	0.335	C	S	.	.			trans	-118	114.8	179.8	-68.2	175.4	0	0	0	106.7	K221 R225 N325 Q328 Q329 M333	K221-I223 HydrophobicContact CB-CG1 4.33Å; K221-I223 PolarHBondContact O-N 3.36Å; I223-R225 HydrophobicContact CG2-CG 3.74Å; I223-R225 PolarHBondContact O-N 2.67Å; I223-N325 PolarHBondContact N-OD1 3.25Å; I223-Q328 HydrophobicContact CD1-CB 4.28Å; I223-Q328 HydrophobicContact CG2-CB 4.02Å; I223-Q329 VanDerWaalsContact CD1-CA 3.48Å; I223-Q329 HydrophobicContact CD1-CB 3.52Å; I223-Q329 HydrophobicContact CD1-CG 4.06Å; I223-M333 HydrophobicContact CD1-CE 3.74Å; I223-M333 HydrophobicContact CD1-SD 3.95Å; I223-M333 HydrophobicContact CG2-SD 4.26Å
224	K	91.4	Very high	95.1	Very high	199 Å²	199	70.5 Å²	70.5	87%	0.865	34%	0.338	S	S	*	.			trans	-81.9	113.4	174	-62.8	-172.5	178.2	-171.9	0	108.2
225	R	92.4	Very high	95.2	Very high	41 Å²	41	69.5 Å²	69.5	16%	0.155	33%	0.332	C	S	.	.			trans	-141.5	150.8	171.4	-69.8	-67.9	-171.6	142.4	0.6	108.7	E203 I223 F227 Q328 S354 E355 V356 A357	E203-R225 IonicContact OE1-NH2 2.85Å; E203-R225 PolarHBondContact OE1-NH2 3.24Å; I223-R225 HydrophobicContact CG2-CG 3.74Å; I223-R225 PolarHBondContact O-N 2.67Å; R225-F227 HydrophobicContact CB-CD2 4.45Å; R225-F227 HydrophobicContact CB-CE2 3.86Å; R225-F227 HydrophobicContact CB-CZ 4.29Å; R225-F227 VanDerWaalsContact O-CD2 3.28Å; R225-F227 WeakPolarHBondContact O-CD2 3.35Å; R225-Q328 HydrophobicContact CG-CG 4.15Å; R225-S354 VanDerWaalsContact CZ-O 3.24Å; R225-S354 PolarHBondContact NH1-O 2.93Å; R225-E355 CarbonylContact C-O 3.59Å; R225-E355 WeakPolarHBondContact CA-O 3.36Å; R225-E355 WeakPolarHBondContact CD-O 3.49Å; R225-V356 PolarHBondContact NH1-O 3.45Å; R225-A357 HydrophobicContact CB-CB 4.12Å
226	I	93.1	Very high	95.3	Very high	59 Å²	59	61 Å²	61	30%	0.303	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-81	123.9	173.3	-53.2	174.5	0	0	0	108.4	H228 M351 E355 A357	I226-H228 WeakPolarHBondContact CG2-NE2 3.32Å; I226-M351 HydrophobicContact CD1-CE 4.35Å; I226-M351 HydrophobicContact CD1-SD 3.68Å; I226-E355 HydrophobicContact CD1-CB 4.47Å; I226-E355 PolarHBondContact N-O 2.95Å; I226-A357 WeakPolarHBondContact O-CB 3.47Å; I226-A357 PolarHBondContact O-N 3.27Å
227	F	94.5	Very high	95.3	Very high	59 Å²	59	57.3 Å²	57.3	26%	0.259	29%	0.288	S	S	.	.			trans	-112.5	115.1	175	-68.1	-91.7	0	0	0	108.3	R225 H324 Q328 A357	R225-F227 HydrophobicContact CB-CD2 4.45Å; R225-F227 HydrophobicContact CB-CE2 3.86Å; R225-F227 HydrophobicContact CB-CZ 4.29Å; R225-F227 VanDerWaalsContact O-CD2 3.28Å; R225-F227 WeakPolarHBondContact O-CD2 3.35Å; F227-H324 HydrophobicContact CD2-CB 4.26Å; F227-H324 AromaticContact CD2-ND1 3.82Å; F227-H324 HydrophobicContact CE1-CB 4.14Å; F227-H324 HydrophobicContact CE2-CB 3.68Å; F227-H324 AromaticContact CG-ND1 3.96Å; F227-H324 HydrophobicContact CZ-CB 3.61Å; F227-H324 WeakPolarHBondContact CZ-O 3.34Å; F227-Q328 HydrophobicContact CE1-CG 4.2Å; F227-Q328 HydrophobicContact CZ-CG 3.64Å; F227-A357 HydrophobicContact CD1-CB 3.84Å; F227-A357 HydrophobicContact CE1-CB 3.71Å; F227-A357 HydrophobicContact CG-CB 4.33Å; F227-A357 HydrophobicContact CZ-CB 4.11Å
228	H	94	Very high	95.4	Very high	37 Å²	37	54.2 Å²	54.2	17%	0.171	27%	0.273	C	S	.	.			trans	-86.7	119.3	-179.3	-59.6	99.7	0	0	0	109.9	I226 V230 F346	I226-H228 WeakPolarHBondContact CG2-NE2 3.32Å; H228-V230 HydrophobicContact CB-CG2 4.25Å; H228-F346 HydrophobicContact CB-CB 4.17Å; H228-F346 HydrophobicContact CB-CD2 4.15Å; H228-F346 HydrophobicContact CB-CG 4.33Å; H228-F346 PolarHBondContact NE2-O 3.29Å
229	T	93.1	Very high	95.3	Very high	70 Å²	70	57 Å²	57	43%	0.429	28%	0.281	S	S	.	.			trans	-108.3	29.6	179.6	49.5	0	0	0	0	112	K283	T229-K283 WeakPolarHBondContact O-CE 3.23Å; T229-K283 PolarHBondContact O-NZ 3.22Å
230	V	95.6	Very high	95.3	Very high	34 Å²	34	56.4 Å²	56.4	21%	0.206	28%	0.276	C	S	.	.			trans	-56.3	135.2	-174.9	-176.6	0	0	0	0	111.9	H228 D234 F346 R377	H228-V230 HydrophobicContact CB-CG2 4.25Å; V230-D234 HydrophobicContact CG1-CB 3.58Å; V230-F346 HydrophobicContact CB-CD1 4.13Å; V230-F346 HydrophobicContact CB-CE1 3.96Å; V230-F346 HydrophobicContact CB-CZ 4.43Å; V230-F346 HydrophobicContact CG1-CD1 4.16Å; V230-F346 HydrophobicContact CG1-CE1 3.86Å; V230-F346 HydrophobicContact CG2-CD1 3.73Å; V230-F346 HydrophobicContact CG2-CE1 4.1Å; V230-F346 HydrophobicContact CG2-CG 4.07Å; V230-R377 PolarHBondContact O-NH1 3.21Å; V230-R377 PolarHBondContact O-NH2 3.34Å
231	T	96	Very high	95.2	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	28%	0.275	C	S	.	.			trans	-74	-168.7	177.8	-162.4	0	0	0	0	112.2	D234 D282 K283 R377	T231-D234 HydrophobicContact CG2-CB 4.34Å; T231-D282 WeakPolarHBondContact CB-OD1 3.42Å; T231-D282 VanDerWaalsContact CG2-OD1 3.27Å; T231-D282 WeakPolarHBondContact CG2-OD1 3.12Å; T231-D282 PolarHBondContact OG1-OD1 2.99Å; T231-K283 PolarHBondContact OG1-N 3.43Å; T231-K283 VanDerWaalsContact OG1-N 3.16Å; T231-R377 PolarHBondContact O-NH1 2.96Å
232	T	96.8	Very high	95.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-42.1	-175.5	-57.9	0	0	0	0	112.1	I238 F249 A250 T251 F280 F281 D282	T232-I238 HydrophobicContact CG2-CD1 3.87Å; T232-I238 HydrophobicContact CG2-CG2 4.01Å; T232-F249 HydrophobicContact CG2-CB 3.77Å; T232-A250 WeakPolarHBondContact OG1-CA 3.45Å; T232-T251 PolarHBondContact OG1-N 3.12Å; T232-F280 HydrophobicContact CG2-CD1 4.31Å; T232-F281 VanDerWaalsContact CB-O 3.32Å; T232-F281 WeakPolarHBondContact CB-O 3.44Å; T232-F281 PolarHBondContact OG1-O 3.13Å; T232-D282 VanDerWaalsContact CA-OD1 3.31Å; T232-D282 WeakPolarHBondContact CA-OD1 3.34Å; T232-D282 WeakPolarHBondContact CB-OD1 3.49Å; T232-D282 PolarHBondContact N-OD1 2.8Å
233	T	94.9	Very high	95.1	Very high	41 Å²	41	54.9 Å²	54.9	25%	0.252	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-38.8	179.6	36.5	0	0	0	0	113.5	D235 R239 F280 D282	T233-D235 VanDerWaalsContact C-N 3.27Å; T233-D235 PolarHBondContact O-N 2.74Å; T233-R239 WeakPolarHBondContact O-CD 3.3Å; T233-R239 WeakPolarHBondContact O-CG 3.49Å; T233-R239 PolarHBondContact O-NE 3.08Å; T233-F280 HydrophobicContact CG2-CB 4.23Å; T233-F280 HydrophobicContact CG2-CD1 4.47Å; T233-F280 HydrophobicContact CG2-CG 4.38Å; T233-D282 WeakPolarHBondContact CG2-OD2 3.39Å; T233-D282 PolarHBondContact N-OD1 3.03Å; T233-D282 PolarHBondContact OG1-OD1 2.79Å
234	D	95.4	Very high	95.1	Very high	64 Å²	64	59 Å²	59	34%	0.342	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.9	-177.9	-54.2	0.1	0	0	0	112.1	V230 T231 P236 R239	V230-D234 HydrophobicContact CG1-CB 3.58Å; T231-D234 HydrophobicContact CG2-CB 4.34Å; D234-P236 WeakPolarHBondContact O-CD 3.36Å; D234-P236 VanDerWaalsContact O-N 3.15Å; D234-R239 PolarHBondContact O-NE 3.39Å; D234-R239 PolarHBondContact O-NH2 3.38Å
235	D	97.1	Very high	95.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.265	C	S	.	.			trans	-62	115.2	-175.2	-176.7	-44.8	0	0	0	110.9	T233 V237 I238 R239 F346 Y363 R377	T233-D235 VanDerWaalsContact C-N 3.27Å; T233-D235 PolarHBondContact O-N 2.74Å; D235-V237 VanDerWaalsContact C-N 3.26Å; D235-V237 PolarHBondContact O-N 3.12Å; D235-V237 WeakPolarHBondContact OD1-CA 3.39Å; D235-V237 WeakPolarHBondContact OD1-CB 3.4Å; D235-V237 PolarHBondContact OD1-N 2.96Å; D235-I238 HydrophobicContact CB-CB 3.97Å; D235-I238 HydrophobicContact CB-CD1 4.01Å; D235-I238 HydrophobicContact CB-CG1 3.92Å; D235-I238 PolarHBondContact O-N 2.94Å; D235-I238 PolarHBondContact OD1-N 2.88Å; D235-R239 WeakPolarHBondContact O-CG 3.42Å; D235-R239 PolarHBondContact O-N 3.01Å; D235-F346 HydrophobicContact CB-CE1 4.27Å; D235-F346 WeakPolarHBondContact OD2-CZ 3.5Å; D235-Y363 PolarHBondContact OD1-OH 3.09Å; D235-Y363 WeakPolarHBondContact OD2-CE1 3.47Å; D235-Y363 PolarHBondContact OD2-OH 3.16Å; D235-R377 WeakPolarHBondContact OD2-CD 3.44Å; D235-R377 IonicContact OD2-CZ 3.64Å; D235-R377 IonicContact OD2-NE 3.94Å; D235-R377 IonicContact OD2-NH1 2.7Å; D235-R377 PolarHBondContact OD2-NH1 3.05Å
236	P	96.7	Very high	95.3	Very high	55 Å²	55	52.2 Å²	52.2	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-68.8	-26.1	-174.2	28.5	-34.9	0	0	0	112.3	D234 K240 P345	D234-P236 WeakPolarHBondContact O-CD 3.36Å; D234-P236 VanDerWaalsContact O-N 3.15Å; P236-K240 VanDerWaalsContact O-CB 3.29Å; P236-K240 WeakPolarHBondContact O-CB 3.46Å; P236-K240 PolarHBondContact O-N 3.36Å; P236-P345 HydrophobicContact CG-CB 4.22Å
237	V	97.1	Very high	95.5	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-74.5	-41.2	175.4	-172.7	0	0	0	0	109.8	D235 K240 L241 P345 Y363	D235-V237 VanDerWaalsContact C-N 3.26Å; D235-V237 PolarHBondContact O-N 3.12Å; D235-V237 WeakPolarHBondContact OD1-CA 3.39Å; D235-V237 WeakPolarHBondContact OD1-CB 3.4Å; D235-V237 PolarHBondContact OD1-N 2.96Å; V237-K240 WeakPolarHBondContact O-CB 3.41Å; V237-K240 PolarHBondContact O-N 3.27Å; V237-L241 HydrophobicContact CG1-CD1 4.05Å; V237-L241 HydrophobicContact CG1-CG 4.34Å; V237-L241 WeakPolarHBondContact O-CB 3.33Å; V237-L241 VanDerWaalsContact O-CG 3.24Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 3.12Å; V237-P345 HydrophobicContact CG2-CB 3.68Å; V237-P345 HydrophobicContact CG2-CG 3.95Å; V237-Y363 HydrophobicContact CB-CD1 4.38Å; V237-Y363 HydrophobicContact CB-CD2 4.41Å; V237-Y363 HydrophobicContact CB-CE1 3.82Å; V237-Y363 HydrophobicContact CB-CE2 3.87Å; V237-Y363 HydrophobicContact CG1-CD1 4.03Å; V237-Y363 HydrophobicContact CG1-CD2 3.74Å; V237-Y363 HydrophobicContact CG1-CE1 3.96Å; V237-Y363 HydrophobicContact CG1-CE2 3.68Å; V237-Y363 HydrophobicContact CG1-CG 3.92Å; V237-Y363 HydrophobicContact CG2-CE2 4Å
238	I	97.4	Very high	95.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-44.1	173.5	-62.2	-176.9	0	0	0	110.7	T232 D235 K240 L241 A242 F249 F280 Y363 R377	T232-I238 HydrophobicContact CG2-CD1 3.87Å; T232-I238 HydrophobicContact CG2-CG2 4.01Å; D235-I238 HydrophobicContact CB-CB 3.97Å; D235-I238 HydrophobicContact CB-CD1 4.01Å; D235-I238 HydrophobicContact CB-CG1 3.92Å; D235-I238 PolarHBondContact O-N 2.94Å; D235-I238 PolarHBondContact OD1-N 2.88Å; I238-K240 VanDerWaalsContact C-N 3.29Å; I238-K240 PolarHBondContact O-N 3.06Å; I238-L241 PolarHBondContact O-N 2.9Å; I238-A242 VanDerWaalsContact O-CB 3.25Å; I238-A242 WeakPolarHBondContact O-CB 3.32Å; I238-A242 PolarHBondContact O-N 2.87Å; I238-F249 HydrophobicContact CG2-CB 3.83Å; I238-F249 HydrophobicContact CG2-CD1 3.8Å; I238-F249 HydrophobicContact CG2-CG 4.03Å; I238-F280 HydrophobicContact CG2-CE1 4.5Å; I238-Y363 HydrophobicContact CD1-CE1 4.36Å; I238-Y363 HydrophobicContact CG1-CD1 4.09Å; I238-Y363 HydrophobicContact CG1-CE1 3.77Å; I238-R377 HydrophobicContact CD1-CB 4.31Å
239	R	96.3	Very high	95.9	Very high	142 Å²	142	45.7 Å²	45.7	54%	0.536	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-39.1	174.3	-72.8	-171.3	-80.5	177.6	-3.2	112.7	T233 D234 D235	T233-R239 WeakPolarHBondContact O-CD 3.3Å; T233-R239 WeakPolarHBondContact O-CG 3.49Å; T233-R239 PolarHBondContact O-NE 3.08Å; D234-R239 PolarHBondContact O-NE 3.39Å; D234-R239 PolarHBondContact O-NH2 3.38Å; D235-R239 WeakPolarHBondContact O-CG 3.42Å; D235-R239 PolarHBondContact O-N 3.01Å
240	K	96.6	Very high	96.1	Very high	115 Å²	115	42.3 Å²	42.3	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-66.5	-48.9	173.5	174	-169.5	169.9	-157.6	0	112	E197 P236 V237 I238 A242 K243	E197-K240 IonicContact OE1-NZ 3.69Å; E197-K240 IonicContact OE2-NZ 3.41Å; E197-K240 PolarHBondContact OE2-NZ 3.17Å; P236-K240 VanDerWaalsContact O-CB 3.29Å; P236-K240 WeakPolarHBondContact O-CB 3.46Å; P236-K240 PolarHBondContact O-N 3.36Å; V237-K240 WeakPolarHBondContact O-CB 3.41Å; V237-K240 PolarHBondContact O-N 3.27Å; I238-K240 VanDerWaalsContact C-N 3.29Å; I238-K240 PolarHBondContact O-N 3.06Å; K240-A242 VanDerWaalsContact C-N 3.34Å; K240-A242 PolarHBondContact O-N 3.16Å; K240-K243 PolarHBondContact O-N 3.11Å
241	L	95.3	Very high	96.2	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-40.3	179.2	-71	173.5	0	0	0	111.6	I196 V237 I238 K243 T244 Q245 Y363 I375	I196-L241 HydrophobicContact CD1-CD1 4.41Å; I196-L241 HydrophobicContact CG2-CD2 3.75Å; V237-L241 HydrophobicContact CG1-CD1 4.05Å; V237-L241 HydrophobicContact CG1-CG 4.34Å; V237-L241 WeakPolarHBondContact O-CB 3.33Å; V237-L241 VanDerWaalsContact O-CG 3.24Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 3.12Å; I238-L241 PolarHBondContact O-N 2.9Å; L241-K243 PolarHBondContact O-N 2.94Å; L241-K243 VanDerWaalsContact O-N 3.09Å; L241-T244 PolarHBondContact O-N 2.92Å; L241-T244 PolarHBondContact O-OG1 3.03Å; L241-T244 VanDerWaalsContact O-OG1 3.14Å; L241-Q245 PolarHBondContact O-N 2.85Å; L241-Y363 HydrophobicContact CD1-CD1 4.16Å; L241-Y363 HydrophobicContact CD1-CG 4.17Å; L241-I375 HydrophobicContact CD1-CG2 4.07Å
242	A	95.3	Very high	96.3	Very high	9 Å²	9	41 Å²	41	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-19.9	177.8	0	0	0	0	0	113.6	I238 K240 F249 K278 F280	I238-A242 VanDerWaalsContact O-CB 3.25Å; I238-A242 WeakPolarHBondContact O-CB 3.32Å; I238-A242 PolarHBondContact O-N 2.87Å; K240-A242 VanDerWaalsContact C-N 3.34Å; K240-A242 PolarHBondContact O-N 3.16Å; A242-F249 HydrophobicContact CB-CE1 3.92Å; A242-F249 HydrophobicContact CB-CE2 4.07Å; A242-F249 HydrophobicContact CB-CZ 3.71Å; A242-K278 WeakPolarHBondContact O-CE 3.36Å; A242-K278 PolarHBondContact O-NZ 3.17Å; A242-F280 HydrophobicContact CB-CE1 3.95Å; A242-F280 HydrophobicContact CB-CZ 3.92Å
243	K	94.8	Very high	96.4	Very high	183 Å²	183	42.3 Å²	42.3	80%	0.796	22%	0.217	S	C	*	.	H	α-helix	trans	-78.3	-22.4	172	-66.8	177.4	-177	-177.2	0	113	K240 L241	K240-K243 PolarHBondContact O-N 3.11Å; L241-K243 PolarHBondContact O-N 2.94Å; L241-K243 VanDerWaalsContact O-N 3.09Å
244	T	93.8	Very high	96.5	Very high	111 Å²	111	40.4 Å²	40.4	68%	0.681	21%	0.205	S	C	*	.	H	α-helix	trans	-115.1	-37.9	-170.9	58.9	0	0	0	0	114.8	L241	L241-T244 PolarHBondContact O-N 2.92Å; L241-T244 PolarHBondContact O-OG1 3.03Å; L241-T244 VanDerWaalsContact O-OG1 3.14Å
245	Q	93.4	Very high	96.6	Very high	83 Å²	83	37.3 Å²	37.3	39%	0.388	19%	0.188	S	C	.	.	S	Bend	trans	-158.4	164.9	-174.9	60.2	177.4	5	0	0	112.9	I196 L241 F249 I375	I196-Q245 VanDerWaalsContact CD1-NE2 3.34Å; L241-Q245 PolarHBondContact O-N 2.85Å; Q245-F249 WeakPolarHBondContact O-CZ 3.33Å; Q245-I375 HydrophobicContact CG-CD1 3.99Å
246	G	94.1	Very high	96.7	Very high	15 Å²	15	37.3 Å²	37.3	16%	0.155	19%	0.188	C	C	.	.			trans	85.9	154.1	-177.9	0	0	0	0	0	113.4	F249	G246-F249 VanDerWaalsContact C-CZ 3.47Å; G246-F249 WeakPolarHBondContact O-CZ 3.46Å
247	N	96.9	Very high	96.8	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.091	17%	0.172	C	C	.	.	S	Bend	trans	-136.3	-7	174.6	61.4	36.5	0	0	0	113.9	K278 L279 D371 I372 D373 R502	N247-K278 CarbonylContact O-C 3.58Å; N247-K278 WeakPolarHBondContact O-CA 3.32Å; N247-L279 PolarHBondContact O-N 3.2Å; N247-D371 PolarHBondContact ND2-O 3.07Å; N247-I372 WeakPolarHBondContact OD1-CA 3.39Å; N247-D373 PolarHBondContact N-O 3.38Å; N247-D373 PolarHBondContact ND2-N 3.2Å; N247-D373 PolarHBondContact OD1-N 3.15Å; N247-D373 PolarHBondContact OD1-O 3.19Å; N247-R502 PolarHBondContact ND2-NH2 3.04Å; N247-R502 VanDerWaalsContact ND2-NH2 3.12Å
248	V	98.2	Very high	96.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.6	165.7	-176.2	0	0	0	0	109.3	L279 F281 I372 D373 L374 I375 I498	V248-L279 CarbonylContact C-O 3.58Å; V248-L279 WeakPolarHBondContact CA-O 3.46Å; V248-L279 HydrophobicContact CG1-CB 4.46Å; V248-L279 HydrophobicContact CG2-CB 4.33Å; V248-L279 HydrophobicContact CG2-CD1 4.32Å; V248-F281 HydrophobicContact CG1-CD2 3.83Å; V248-F281 HydrophobicContact CG1-CE2 3.57Å; V248-I372 HydrophobicContact CG2-CG2 3.94Å; V248-D373 PolarHBondContact N-O 3.2Å; V248-D373 VanDerWaalsContact N-O 3.1Å; V248-L374 HydrophobicContact CB-CD1 3.84Å; V248-L374 HydrophobicContact CG1-CD1 3.56Å; V248-I375 PolarHBondContact O-N 3.08Å; V248-I498 HydrophobicContact CG1-CD1 4.13Å; V248-I498 HydrophobicContact CG1-CG1 4.38Å; V248-I498 HydrophobicContact CG2-CD1 4.32Å; V248-I498 HydrophobicContact CG2-CG2 3.89Å
249	F	98.6	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.3	-177.6	-53.6	-89.4	0	0	0	110.2	T232 I238 A242 Q245 G246 K278 L279 F280 F281 I375	T232-F249 HydrophobicContact CG2-CB 3.77Å; I238-F249 HydrophobicContact CG2-CB 3.83Å; I238-F249 HydrophobicContact CG2-CD1 3.8Å; I238-F249 HydrophobicContact CG2-CG 4.03Å; A242-F249 HydrophobicContact CB-CE1 3.92Å; A242-F249 HydrophobicContact CB-CE2 4.07Å; A242-F249 HydrophobicContact CB-CZ 3.71Å; Q245-F249 WeakPolarHBondContact O-CZ 3.33Å; G246-F249 VanDerWaalsContact C-CZ 3.47Å; G246-F249 WeakPolarHBondContact O-CZ 3.46Å; F249-K278 HydrophobicContact CE2-CB 4.25Å; F249-K278 HydrophobicContact CE2-CD 4.28Å; F249-K278 HydrophobicContact CE2-CG 4.21Å; F249-L279 PolarHBondContact N-O 2.83Å; F249-F280 HydrophobicContact CB-CD1 3.79Å; F249-F280 HydrophobicContact CB-CE1 4.09Å; F249-F280 AromaticContact CD2-CD1 3.85Å; F249-F280 HydrophobicContact CD2-CD1 3.85Å; F249-F280 AromaticContact CD2-CE1 3.48Å; F249-F280 HydrophobicContact CD2-CE1 3.48Å; F249-F280 VanDerWaalsContact CD2-CE1 3.48Å; F249-F280 HydrophobicContact CD2-CG 4.49Å; F249-F280 AromaticContact CD2-CZ 3.85Å; F249-F280 HydrophobicContact CD2-CZ 3.85Å; F249-F280 HydrophobicContact CE2-CE1 4.09Å; F249-F280 HydrophobicContact CE2-CZ 4.09Å; F249-F280 HydrophobicContact CG-CD1 4.05Å; F249-F280 AromaticContact CG-CE1 3.83Å; F249-F280 HydrophobicContact CG-CE1 3.83Å; F249-F281 PolarHBondContact O-N 2.93Å; F249-I375 WeakPolarHBondContact CA-O 3.46Å; F249-I375 HydrophobicContact CD1-CB 3.97Å; F249-I375 HydrophobicContact CD1-CG2 4.36Å; F249-I375 HydrophobicContact CE1-CB 4.22Å; F249-I375 HydrophobicContact CE1-CD1 3.97Å; F249-I375 HydrophobicContact CE1-CG1 4.46Å
250	A	98.3	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	165.8	178	0	0	0	0	0	112.3	T232 L255 F281 I375 V376 R377	T232-A250 WeakPolarHBondContact OG1-CA 3.45Å; A250-L255 HydrophobicContact CB-CD1 4.22Å; A250-L255 HydrophobicContact CB-CD2 3.54Å; A250-L255 HydrophobicContact CB-CG 3.61Å; A250-F281 HydrophobicContact CB-CB 4.09Å; A250-I375 PolarHBondContact N-O 3.22Å; A250-V376 VanDerWaalsContact O-CA 3.31Å; A250-V376 WeakPolarHBondContact O-CA 3.41Å; A250-R377 PolarHBondContact O-N 2.97Å
251	T	98.4	Very high	97	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.025	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	156.5	161.1	63.8	0	0	0	0	111.4	T232 A253 I254 L255	T232-T251 PolarHBondContact OG1-N 3.12Å; T251-A253 VanDerWaalsContact C-N 3.28Å; T251-A253 PolarHBondContact O-N 3.17Å; T251-I254 PolarHBondContact O-N 3.27Å; T251-I254 WeakPolarHBondContact OG1-CD1 3.49Å; T251-I254 VanDerWaalsContact OG1-CG1 3.27Å; T251-I254 WeakPolarHBondContact OG1-CG1 3.48Å; T251-I254 PolarHBondContact OG1-N 3.49Å; T251-L255 PolarHBondContact O-N 3.06Å
252	D	97.8	Very high	97.1	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-33	177.5	66.2	-2	0	0	0	113.1	I254 L255 A256 V376 R377 C378 E379 L444	D252-I254 VanDerWaalsContact C-N 3.34Å; D252-I254 PolarHBondContact O-N 2.78Å; D252-L255 PolarHBondContact O-N 3.47Å; D252-A256 WeakPolarHBondContact O-CB 3.43Å; D252-A256 PolarHBondContact O-N 3.42Å; D252-V376 HydrophobicContact CB-CG1 4.27Å; D252-R377 WeakPolarHBondContact CB-O 3.39Å; D252-R377 PolarHBondContact N-O 2.95Å; D252-C378 HydrophobicContact CB-CB 4.43Å; D252-C378 WeakPolarHBondContact OD2-CA 3.49Å; D252-E379 PolarHBondContact OD2-N 3.29Å; D252-L444 HydrophobicContact CB-CD1 4.34Å
253	A	97.4	Very high	97.2	Very high	27 Å²	27	24.3 Å²	24.3	22%	0.223	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-39.4	173.9	0	0	0	0	0	112.4	T251 T257 F289	T251-A253 VanDerWaalsContact C-N 3.28Å; T251-A253 PolarHBondContact O-N 3.17Å; A253-T257 WeakPolarHBondContact O-CB 3.28Å; A253-T257 PolarHBondContact O-N 3.01Å; A253-T257 PolarHBondContact O-OG1 3.16Å; A253-F289 HydrophobicContact CB-CE1 4.45Å
254	I	98.4	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-72.3	-48.5	177.2	-67.2	172.8	0	0	0	110.2	T251 D252 A256 T257 L258 I270 F281 K283 F289	T251-I254 PolarHBondContact O-N 3.27Å; T251-I254 WeakPolarHBondContact OG1-CD1 3.49Å; T251-I254 VanDerWaalsContact OG1-CG1 3.27Å; T251-I254 WeakPolarHBondContact OG1-CG1 3.48Å; T251-I254 PolarHBondContact OG1-N 3.49Å; D252-I254 VanDerWaalsContact C-N 3.34Å; D252-I254 PolarHBondContact O-N 2.78Å; I254-A256 PolarHBondContact O-N 3.31Å; I254-T257 WeakPolarHBondContact O-CB 3.07Å; I254-T257 PolarHBondContact O-N 3.28Å; I254-T257 VanDerWaalsContact O-N 3.17Å; I254-L258 PolarHBondContact O-N 2.84Å; I254-I270 HydrophobicContact CG2-CD1 3.98Å; I254-I270 HydrophobicContact CG2-CG1 4.35Å; I254-I270 HydrophobicContact CG2-CG2 3.93Å; I254-F281 VanDerWaalsContact CD1-O 3.25Å; I254-F281 WeakPolarHBondContact CD1-O 3.33Å; I254-F281 HydrophobicContact CG2-CB 3.77Å; I254-K283 HydrophobicContact CD1-CB 4.31Å; I254-K283 HydrophobicContact CD1-CG 4.33Å; I254-F289 HydrophobicContact CG1-CE1 4.17Å; I254-F289 HydrophobicContact CG1-CZ 4.05Å
255	L	97.9	Very high	97.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.1	-41.7	177.5	-68	-166	0	0	0	113.1	A250 T251 D252 T257 L258 M259 L374 V376 L444 L494	A250-L255 HydrophobicContact CB-CD1 4.22Å; A250-L255 HydrophobicContact CB-CD2 3.54Å; A250-L255 HydrophobicContact CB-CG 3.61Å; T251-L255 PolarHBondContact O-N 3.06Å; D252-L255 PolarHBondContact O-N 3.47Å; L255-T257 PolarHBondContact O-N 3Å; L255-L258 HydrophobicContact CD2-CD1 4.44Å; L255-L258 PolarHBondContact O-N 3.45Å; L255-M259 VanDerWaalsContact O-CB 3.26Å; L255-M259 WeakPolarHBondContact O-CB 3.47Å; L255-M259 WeakPolarHBondContact O-CG 3.48Å; L255-M259 PolarHBondContact O-N 3.16Å; L255-L374 HydrophobicContact CD1-CD1 4.26Å; L255-L374 HydrophobicContact CD1-CD2 4.03Å; L255-V376 HydrophobicContact CD1-CB 4.22Å; L255-V376 HydrophobicContact CD1-CG1 3.69Å; L255-V376 HydrophobicContact CD1-CG2 3.41Å; L255-V376 VanDerWaalsContact CD1-CG2 3.41Å; L255-V376 HydrophobicContact CG-CG1 4.3Å; L255-L444 HydrophobicContact CB-CD1 4.1Å; L255-L494 HydrophobicContact CD1-CD2 4.16Å; L255-L494 HydrophobicContact CD2-CD1 3.78Å; L255-L494 HydrophobicContact CD2-CD2 3.99Å
256	A	98.3	Very high	97.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.7	-31.6	177.4	0	0	0	0	0	112.4	D252 I254 C260 R437 C440 C441	D252-A256 WeakPolarHBondContact O-CB 3.43Å; D252-A256 PolarHBondContact O-N 3.42Å; I254-A256 PolarHBondContact O-N 3.31Å; A256-C260 VanDerWaalsContact O-CB 3.24Å; A256-C260 WeakPolarHBondContact O-CB 3.1Å; A256-C260 PolarHBondContact O-N 3.21Å; A256-C260 VanDerWaalsContact O-N 3.07Å; A256-C260 PolarHBondContact O-SG 2.89Å; A256-R437 HydrophobicContact CB-CB 4.25Å; A256-R437 HydrophobicContact CB-CG 4.46Å; A256-C440 HydrophobicContact CB-CB 3.92Å; A256-C441 WeakPolarHBondContact CB-SG 3.48Å
257	T	98.5	Very high	97.6	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.012	6%	0.064	C	C	.	.	H	α-helix	trans	-67.7	-44.8	176.3	-57	0	0	0	0	111	A253 I254 L255 C261 W268 I270 F289 Y433 R437	A253-T257 WeakPolarHBondContact O-CB 3.28Å; A253-T257 PolarHBondContact O-N 3.01Å; A253-T257 PolarHBondContact O-OG1 3.16Å; I254-T257 WeakPolarHBondContact O-CB 3.07Å; I254-T257 PolarHBondContact O-N 3.28Å; I254-T257 VanDerWaalsContact O-N 3.17Å; L255-T257 PolarHBondContact O-N 3Å; T257-C261 WeakPolarHBondContact O-CA 3.37Å; T257-C261 PolarHBondContact O-N 3.09Å; T257-W268 HydrophobicContact CG2-CD2 3.76Å; T257-W268 HydrophobicContact CG2-CE3 3.83Å; T257-W268 HydrophobicContact CG2-CG 4.16Å; T257-W268 HydrophobicContact CG2-CZ3 4.35Å; T257-I270 HydrophobicContact CG2-CD1 3.93Å; T257-F289 HydrophobicContact CG2-CE2 3.9Å; T257-F289 HydrophobicContact CG2-CZ 4.01Å; T257-F289 WeakPolarHBondContact OG1-CZ 3.44Å; T257-Y433 WeakPolarHBondContact CG2-OH 3.4Å; T257-Y433 PolarHBondContact O-OH 2.97Å; T257-R437 PolarHBondContact OG1-NE 2.93Å; T257-R437 PolarHBondContact OG1-NH2 3.16Å
258	L	97.9	Very high	97.6	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-66.5	-53.5	173.1	-67.2	173.7	0	0	0	112.2	I254 L255 C260 C261 W268 I270 F281 I493 L494 I511	I254-L258 PolarHBondContact O-N 2.84Å; L255-L258 HydrophobicContact CD2-CD1 4.44Å; L255-L258 PolarHBondContact O-N 3.45Å; L258-C260 PolarHBondContact O-N 2.64Å; L258-C261 VanDerWaalsContact O-CB 3.23Å; L258-C261 WeakPolarHBondContact O-CB 3.37Å; L258-C261 PolarHBondContact O-N 2.71Å; L258-C261 VanDerWaalsContact O-N 3.09Å; L258-C261 PolarHBondContact O-SG 2.89Å; L258-W268 HydrophobicContact CD2-CH2 4.06Å; L258-W268 HydrophobicContact CD2-CZ3 4.18Å; L258-I270 HydrophobicContact CD1-CD1 4.39Å; L258-I270 HydrophobicContact CD2-CD1 3.71Å; L258-I270 HydrophobicContact CG-CD1 3.66Å; L258-F281 HydrophobicContact CD1-CD1 3.78Å; L258-F281 HydrophobicContact CD1-CE1 3.84Å; L258-I493 WeakPolarHBondContact O-CG2 3.09Å; L258-L494 HydrophobicContact CD1-CD1 4.06Å; L258-I511 HydrophobicContact CD2-CD1 4.02Å; L258-I511 HydrophobicContact CD2-CG2 4.26Å
259	M	98.3	Very high	97.6	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-56.7	-35.9	-178	-80.3	-162.5	-174.7	0	0	113.1	L255 C440 L444 M487 A490 W491 L494	L255-M259 VanDerWaalsContact O-CB 3.26Å; L255-M259 WeakPolarHBondContact O-CB 3.47Å; L255-M259 WeakPolarHBondContact O-CG 3.48Å; L255-M259 PolarHBondContact O-N 3.16Å; M259-C440 PolarHBondContact SD-SG 3.43Å; M259-L444 HydrophobicContact CE-CD2 4.07Å; M259-L444 HydrophobicContact SD-CD1 4.5Å; M259-M487 HydrophobicContact SD-CE 4.04Å; M259-A490 HydrophobicContact CB-CB 3.83Å; M259-A490 HydrophobicContact CG-CB 3.99Å; M259-A490 HydrophobicContact SD-CB 3.89Å; M259-W491 HydrophobicContact CE-CD2 3.72Å; M259-W491 HydrophobicContact CE-CE3 3.4Å; M259-W491 VanDerWaalsContact CE-CE3 3.4Å; M259-W491 HydrophobicContact CE-CH2 3.68Å; M259-W491 HydrophobicContact CE-CZ2 3.97Å; M259-W491 HydrophobicContact CE-CZ3 3.38Å; M259-L494 HydrophobicContact CE-CB 4.39Å; M259-L494 HydrophobicContact CE-CD2 3.48Å; M259-L494 VanDerWaalsContact CE-CD2 3.48Å; M259-L494 HydrophobicContact CG-CB 4.33Å
260	C	97.8	Very high	97.5	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	8.3	-179.2	-59.1	0	0	0	0	113.8	A256 L258 T262 R263 Y433 A436 R437	A256-C260 VanDerWaalsContact O-CB 3.24Å; A256-C260 WeakPolarHBondContact O-CB 3.1Å; A256-C260 PolarHBondContact O-N 3.21Å; A256-C260 VanDerWaalsContact O-N 3.07Å; A256-C260 PolarHBondContact O-SG 2.89Å; L258-C260 PolarHBondContact O-N 2.64Å; C260-T262 PolarHBondContact O-N 3.39Å; C260-R263 PolarHBondContact O-N 2.79Å; C260-Y433 HydrophobicContact CB-CD2 4.01Å; C260-Y433 HydrophobicContact CB-CE2 3.82Å; C260-Y433 WeakPolarHBondContact O-CD2 3.29Å; C260-Y433 VanDerWaalsContact O-CE2 3.28Å; C260-Y433 WeakPolarHBondContact O-CE2 3.38Å; C260-A436 HydrophobicContact CB-CB 4Å; C260-A436 VanDerWaalsContact SG-C 3.54Å; C260-R437 HydrophobicContact CB-CG 4.39Å
261	C	97.5	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-51.1	-34.5	-169.1	60.7	0	0	0	0	114.7	F179 T257 L258 R263 S264 W268	F179-C261 WeakPolarHBondContact CZ-O 3.35Å; T257-C261 WeakPolarHBondContact O-CA 3.37Å; T257-C261 PolarHBondContact O-N 3.09Å; L258-C261 VanDerWaalsContact O-CB 3.23Å; L258-C261 WeakPolarHBondContact O-CB 3.37Å; L258-C261 PolarHBondContact O-N 2.71Å; L258-C261 VanDerWaalsContact O-N 3.09Å; L258-C261 PolarHBondContact O-SG 2.89Å; C261-R263 PolarHBondContact O-N 3.48Å; C261-S264 WeakPolarHBondContact O-CB 3.25Å; C261-S264 PolarHBondContact O-N 3.22Å; C261-S264 PolarHBondContact O-OG 3.09Å; C261-W268 HydrophobicContact CB-CH2 4.27Å; C261-W268 HydrophobicContact CB-CZ2 3.63Å
262	T	97.3	Very high	97.4	Very high	16 Å²	16	12.4 Å²	12.4	10%	0.098	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-63.5	-10.6	-178.5	56	0	0	0	0	114.5	F179 L182 M183 C260 I493	F179-T262 WeakPolarHBondContact CD2-O 3.27Å; L182-T262 HydrophobicContact CB-CG2 3.62Å; M183-T262 HydrophobicContact CG-CG2 3.88Å; C260-T262 PolarHBondContact O-N 3.39Å; T262-I493 HydrophobicContact CG2-CD1 3.84Å
263	R	97.4	Very high	97.3	Very high	44 Å²	44	15.2 Å²	15.2	17%	0.166	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-98.9	-12	174.1	-61.6	177.8	-178.9	-133	1.2	113.8	C260 C261 S432 Y433 I483 N484	C260-R263 PolarHBondContact O-N 2.79Å; C261-R263 PolarHBondContact O-N 3.48Å; R263-S432 PolarHBondContact NH1-OG 3.42Å; R263-Y433 HydrophobicContact CB-CD2 4.01Å; R263-Y433 HydrophobicContact CB-CG 4.43Å; R263-I483 PolarHBondContact NH1-O 3.22Å; R263-I483 VanDerWaalsContact NH1-O 3.07Å; R263-I483 PolarHBondContact NH2-O 3.34Å; R263-N484 PolarHBondContact NH2-O 2.88Å
264	S	96.9	Very high	97.2	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.014	8%	0.078	C	C	.	.			trans	-70.6	138.5	-176.4	65.7	0	0	0	0	112.1	F179 C261 W268 K513	F179-S264 WeakPolarHBondContact CE2-O 3.22Å; C261-S264 WeakPolarHBondContact O-CB 3.25Å; C261-S264 PolarHBondContact O-N 3.22Å; C261-S264 PolarHBondContact O-OG 3.09Å; S264-W268 VanDerWaalsContact CB-NE1 3.31Å; S264-W268 PolarHBondContact OG-NE1 3.34Å; S264-K513 WeakPolarHBondContact OG-CG 3.4Å
265	V	95.8	Very high	97.1	Very high	40 Å²	40	19.3 Å²	19.3	24%	0.242	10%	0.1	C	C	.	.			trans	-118.5	-35	178.4	178	0	0	0	0	110.5	E296 T297 K513	V265-E296 HydrophobicContact CB-CG 3.88Å; V265-E296 PolarHBondContact N-OE1 3.13Å; V265-T297 HydrophobicContact CG2-CG2 4.03Å; V265-K513 VanDerWaalsContact C-NZ 3.31Å; V265-K513 PolarHBondContact O-NZ 2.66Å
266	N	95.1	Very high	96.8	Very high	53 Å²	53	20.7 Å²	20.7	28%	0.283	11%	0.114	S	C	.	.	S	Bend	trans	-74.5	168.9	170.6	-67.3	-10.8	0	0	0	111.2	E296 K513	N266-E296 PolarHBondContact N-OE1 3.17Å; N266-K513 WeakPolarHBondContact O-CE 3.01Å; N266-K513 PolarHBondContact O-NZ 3.08Å
267	S	96.9	Very high	96.5	Very high	20 Å²	20	25.7 Å²	25.7	14%	0.14	14%	0.141	C	C	.	.			trans	-81.2	148.8	169.7	-167.8	0	0	0	0	109.9	S164 L512 K513	S164-S267 VanDerWaalsContact N-CB 3.3Å; S164-S267 PolarHBondContact N-OG 2.9Å; S164-S267 PolarHBondContact OG-OG 3.13Å; S267-L512 WeakPolarHBondContact OG-CD1 3.48Å; S267-K513 WeakPolarHBondContact CB-O 3.37Å; S267-K513 PolarHBondContact OG-O 3.2Å
268	W	97.2	Very high	96.5	Very high	18 Å²	18	29.1 Å²	29.1	7%	0.068	16%	0.155	C	C	.	.			trans	-154.1	154.4	171.4	55.6	-95.9	0	0	0	107.4	S164 T257 L258 C261 S264 I270 Y433 I511 K513 I520	S164-W268 VanDerWaalsContact OG-CA 3.32Å; S164-W268 WeakPolarHBondContact OG-CA 3.39Å; S164-W268 PolarHBondContact OG-N 2.82Å; T257-W268 HydrophobicContact CG2-CD2 3.76Å; T257-W268 HydrophobicContact CG2-CE3 3.83Å; T257-W268 HydrophobicContact CG2-CG 4.16Å; T257-W268 HydrophobicContact CG2-CZ3 4.35Å; L258-W268 HydrophobicContact CD2-CH2 4.06Å; L258-W268 HydrophobicContact CD2-CZ3 4.18Å; C261-W268 HydrophobicContact CB-CH2 4.27Å; C261-W268 HydrophobicContact CB-CZ2 3.63Å; S264-W268 VanDerWaalsContact CB-NE1 3.31Å; S264-W268 PolarHBondContact OG-NE1 3.34Å; W268-I270 HydrophobicContact CE3-CD1 4.01Å; W268-I270 HydrophobicContact CE3-CG1 4.06Å; W268-I270 HydrophobicContact CZ3-CB 4.49Å; W268-I270 HydrophobicContact CZ3-CD1 3.71Å; W268-I270 HydrophobicContact CZ3-CG1 4.04Å; W268-Y433 PolarHBondContact NE1-OH 2.96Å; W268-I511 HydrophobicContact CH2-CG2 4.1Å; W268-I511 HydrophobicContact CZ3-CG2 4.04Å; W268-K513 HydrophobicContact CD2-CB 3.9Å; W268-K513 HydrophobicContact CG-CB 4.05Å; W268-K513 HydrophobicContact CZ2-CB 3.92Å; W268-K513 HydrophobicContact CZ2-CG 4.19Å; W268-K513 PolarHBondContact O-N 3.01Å; W268-I520 HydrophobicContact CH2-CG2 4.04Å; W268-I520 HydrophobicContact CZ2-CG2 3.88Å
269	D	97.2	Very high	96.5	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.9	176.9	56.3	-87.2	0	0	0	111.8	S164 R284 L510 I511 L512	S164-D269 WeakPolarHBondContact CB-OD1 3.31Å; S164-D269 PolarHBondContact OG-N 3.24Å; S164-D269 PolarHBondContact OG-OD1 3.27Å; D269-R284 VanDerWaalsContact CG-NH2 3.33Å; D269-R284 IonicContact OD1-CZ 3.16Å; D269-R284 IonicContact OD1-NE 3.24Å; D269-R284 IonicContact OD1-NH2 3.24Å; D269-R284 PolarHBondContact OD1-NH2 3.24Å; D269-R284 IonicContact OD2-CZ 2.77Å; D269-R284 IonicContact OD2-NE 2.72Å; D269-R284 PolarHBondContact OD2-NE 3.2Å; D269-R284 IonicContact OD2-NH2 2.78Å; D269-R284 PolarHBondContact OD2-NH2 2.93Å; D269-L510 HydrophobicContact CB-CD1 3.98Å; D269-L510 HydrophobicContact CB-CD2 4.15Å; D269-L510 HydrophobicContact CB-CG 4.12Å; D269-I511 CarbonylContact C-O 3.51Å; D269-I511 VanDerWaalsContact CA-O 3.24Å; D269-I511 WeakPolarHBondContact CA-O 3.42Å; D269-L512 HydrophobicContact CB-CD1 4.03Å
270	I	98	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.7	178.8	-72.1	170.8	0	0	0	106.9	I254 T257 L258 W268 V272 F281 D282 F289 I511	I254-I270 HydrophobicContact CG2-CD1 3.98Å; I254-I270 HydrophobicContact CG2-CG1 4.35Å; I254-I270 HydrophobicContact CG2-CG2 3.93Å; T257-I270 HydrophobicContact CG2-CD1 3.93Å; L258-I270 HydrophobicContact CD1-CD1 4.39Å; L258-I270 HydrophobicContact CD2-CD1 3.71Å; L258-I270 HydrophobicContact CG-CD1 3.66Å; W268-I270 HydrophobicContact CE3-CD1 4.01Å; W268-I270 HydrophobicContact CE3-CG1 4.06Å; W268-I270 HydrophobicContact CZ3-CB 4.49Å; W268-I270 HydrophobicContact CZ3-CD1 3.71Å; W268-I270 HydrophobicContact CZ3-CG1 4.04Å; I270-V272 HydrophobicContact CG2-CG2 4.48Å; I270-F281 HydrophobicContact CG2-CB 4.43Å; I270-F281 HydrophobicContact CG2-CD1 4.07Å; I270-D282 CarbonylContact C-O 3.59Å; I270-D282 WeakPolarHBondContact CG2-O 3.49Å; I270-F289 HydrophobicContact CD1-CE2 4.3Å; I270-F289 HydrophobicContact CG1-CE2 3.82Å; I270-F289 HydrophobicContact CG1-CZ 4.39Å; I270-I511 HydrophobicContact CB-CB 4.47Å; I270-I511 PolarHBondContact N-O 3.27Å; I270-I511 PolarHBondContact O-N 3.14Å
271	I	96.8	Very high	96.5	Very high	25 Å²	25	30.2 Å²	30.2	13%	0.128	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	141.5	172.3	-67.9	175	0	0	0	108.3	F281 D282 R284 Y509 L510 F530	I271-F281 WeakPolarHBondContact O-CA 3.35Å; I271-D282 HydrophobicContact CB-CB 4.23Å; I271-D282 HydrophobicContact CG2-CB 4.47Å; I271-D282 PolarHBondContact N-O 3.37Å; I271-D282 PolarHBondContact O-N 3.23Å; I271-R284 HydrophobicContact CD1-CG 3.53Å; I271-R284 HydrophobicContact CG1-CG 4.26Å; I271-Y509 WeakPolarHBondContact CA-O 3.43Å; I271-L510 HydrophobicContact CG1-CD1 3.87Å; I271-F530 HydrophobicContact CD1-CB 4.33Å; I271-F530 HydrophobicContact CD1-CD2 3.94Å; I271-F530 HydrophobicContact CD1-CG 4.3Å; I271-F530 HydrophobicContact CG1-CD2 4.48Å
272	V	97.6	Very high	96.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.9	169.3	-172.3	0	0	0	0	108.1	I270 L279 F280 F281 C501 Y509 I511	I270-V272 HydrophobicContact CG2-CG2 4.48Å; V272-L279 HydrophobicContact CG1-CD2 4.16Å; V272-F280 CarbonylContact C-O 3.59Å; V272-F280 WeakPolarHBondContact CA-O 3.45Å; V272-F281 HydrophobicContact CG1-CD1 4.4Å; V272-F281 HydrophobicContact CG1-CE1 4.2Å; V272-F281 HydrophobicContact CG1-CZ 4.29Å; V272-F281 HydrophobicContact CG2-CD1 3.54Å; V272-F281 HydrophobicContact CG2-CE1 3.56Å; V272-F281 HydrophobicContact CG2-CG 4.4Å; V272-F281 HydrophobicContact CG2-CZ 4.42Å; V272-C501 HydrophobicContact CG1-CB 4.33Å; V272-Y509 PolarHBondContact N-O 2.8Å; V272-Y509 PolarHBondContact O-N 3.48Å; V272-I511 HydrophobicContact CG2-CD1 3.67Å; V272-I511 HydrophobicContact CG2-CG1 3.91Å
273	Q	95.8	Very high	96.3	Very high	64 Å²	64	30.4 Å²	30.4	30%	0.299	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.2	173.6	-167.7	178.7	2.8	0	0	109.1	V275 F280 K508	Q273-V275 HydrophobicContact CG-CG2 4.03Å; Q273-F280 HydrophobicContact CB-CB 4.48Å; Q273-F280 PolarHBondContact N-O 2.65Å; Q273-F280 PolarHBondContact O-N 3.1Å; Q273-K508 HydrophobicContact CG-CG 4.44Å
274	R	95.6	Very high	96.1	Very high	39 Å²	39	29.6 Å²	29.6	15%	0.147	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.8	173.6	-178.9	164.1	161.8	-156	7.6	110.2	G276 K278 L279 R502 D505 E506 G507 Y509	R274-G276 PolarHBondContact NE-O 3.21Å; R274-K278 WeakPolarHBondContact CA-O 3.27Å; R274-L279 HydrophobicContact CB-CD2 3.69Å; R274-L279 HydrophobicContact CG-CD2 3.82Å; R274-R502 PolarHBondContact NH1-O 3.23Å; R274-R502 VanDerWaalsContact NH1-O 3.1Å; R274-R502 PolarHBondContact NH2-O 2.95Å; R274-D505 WeakPolarHBondContact CD-O 3.5Å; R274-D505 PolarHBondContact NE-O 3.25Å; R274-D505 VanDerWaalsContact NH1-C 3.33Å; R274-D505 PolarHBondContact NH1-O 3.07Å; R274-E506 HydrophobicContact CG-CG 4.4Å; R274-G507 PolarHBondContact N-O 2.9Å; R274-G507 PolarHBondContact O-N 3.38Å; R274-G507 VanDerWaalsContact O-N 3.16Å; R274-Y509 HydrophobicContact CB-CE2 4.26Å
275	V	94.5	Very high	95.3	Very high	75 Å²	75	34.8 Å²	34.8	46%	0.455	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	112.1	176.8	-173.8	0	0	0	0	107.9	Q273 N277 K278	Q273-V275 HydrophobicContact CG-CG2 4.03Å; V275-N277 PolarHBondContact O-N 2.96Å; V275-K278 PolarHBondContact N-O 3Å; V275-K278 WeakPolarHBondContact O-CB 3.25Å; V275-K278 PolarHBondContact O-N 2.63Å
276	G	92.8	Very high	94.5	Very high	29 Å²	29	38.9 Å²	38.9	30%	0.299	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-123.9	-168.7	0	0	0	0	0	112.7	R274 E506	R274-G276 PolarHBondContact NE-O 3.21Å; G276-E506 VanDerWaalsContact CA-CD 3.49Å; G276-E506 VanDerWaalsContact CA-OE1 3.28Å; G276-E506 WeakPolarHBondContact CA-OE1 3.39Å; G276-E506 PolarHBondContact N-OE1 3.44Å; G276-E506 PolarHBondContact N-OE2 3.39Å
277	N	92.8	Very high	94.2	Very high	105 Å²	105	37.5 Å²	37.5	56%	0.561	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	12.2	175.6	-167.1	23.3	0	0	0	113.5	V275 R502	V275-N277 PolarHBondContact O-N 2.96Å; N277-R502 PolarHBondContact OD1-NH2 3.4Å
278	K	97	Very high	94	Very high	73 Å²	73	40.3 Å²	40.3	32%	0.317	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.5	-178.7	-63.1	173.3	-172.7	164.3	0	110.9	A242 N247 F249 R274 V275 F280	A242-K278 WeakPolarHBondContact O-CE 3.36Å; A242-K278 PolarHBondContact O-NZ 3.17Å; N247-K278 CarbonylContact O-C 3.58Å; N247-K278 WeakPolarHBondContact O-CA 3.32Å; F249-K278 HydrophobicContact CE2-CB 4.25Å; F249-K278 HydrophobicContact CE2-CD 4.28Å; F249-K278 HydrophobicContact CE2-CG 4.21Å; R274-K278 WeakPolarHBondContact CA-O 3.27Å; V275-K278 PolarHBondContact N-O 3Å; V275-K278 WeakPolarHBondContact O-CB 3.25Å; V275-K278 PolarHBondContact O-N 2.63Å; K278-F280 HydrophobicContact CB-CE2 3.84Å; K278-F280 HydrophobicContact CB-CZ 4.3Å
279	L	97.9	Very high	93.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.6	173.4	-66.6	175.9	0	0	0	109.7	N247 V248 F249 V272 R274 F281 I498 C501 R502	N247-L279 PolarHBondContact O-N 3.2Å; V248-L279 CarbonylContact C-O 3.58Å; V248-L279 WeakPolarHBondContact CA-O 3.46Å; V248-L279 HydrophobicContact CG1-CB 4.46Å; V248-L279 HydrophobicContact CG2-CB 4.33Å; V248-L279 HydrophobicContact CG2-CD1 4.32Å; F249-L279 PolarHBondContact N-O 2.83Å; V272-L279 HydrophobicContact CG1-CD2 4.16Å; R274-L279 HydrophobicContact CB-CD2 3.69Å; R274-L279 HydrophobicContact CG-CD2 3.82Å; L279-F281 HydrophobicContact CB-CE2 4.16Å; L279-F281 HydrophobicContact CD1-CE2 4.47Å; L279-I498 HydrophobicContact CD1-CG2 4.08Å; L279-C501 HydrophobicContact CD1-CB 3.77Å; L279-C501 HydrophobicContact CD2-CB 3.99Å; L279-R502 HydrophobicContact CD1-CG 3.74Å
280	F	98.1	Very high	93.7	Very high	26 Å²	26	42.8 Å²	42.8	11%	0.114	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.9	170.2	-59.1	-92	0	0	0	108	T232 T233 I238 A242 F249 V272 Q273 K278	T232-F280 HydrophobicContact CG2-CD1 4.31Å; T233-F280 HydrophobicContact CG2-CB 4.23Å; T233-F280 HydrophobicContact CG2-CD1 4.47Å; T233-F280 HydrophobicContact CG2-CG 4.38Å; I238-F280 HydrophobicContact CG2-CE1 4.5Å; A242-F280 HydrophobicContact CB-CE1 3.95Å; A242-F280 HydrophobicContact CB-CZ 3.92Å; F249-F280 HydrophobicContact CB-CD1 3.79Å; F249-F280 HydrophobicContact CB-CE1 4.09Å; F249-F280 AromaticContact CD2-CD1 3.85Å; F249-F280 HydrophobicContact CD2-CD1 3.85Å; F249-F280 AromaticContact CD2-CE1 3.48Å; F249-F280 HydrophobicContact CD2-CE1 3.48Å; F249-F280 VanDerWaalsContact CD2-CE1 3.48Å; F249-F280 HydrophobicContact CD2-CG 4.49Å; F249-F280 AromaticContact CD2-CZ 3.85Å; F249-F280 HydrophobicContact CD2-CZ 3.85Å; F249-F280 HydrophobicContact CE2-CE1 4.09Å; F249-F280 HydrophobicContact CE2-CZ 4.09Å; F249-F280 HydrophobicContact CG-CD1 4.05Å; F249-F280 AromaticContact CG-CE1 3.83Å; F249-F280 HydrophobicContact CG-CE1 3.83Å; V272-F280 CarbonylContact C-O 3.59Å; V272-F280 WeakPolarHBondContact CA-O 3.45Å; Q273-F280 HydrophobicContact CB-CB 4.48Å; Q273-F280 PolarHBondContact N-O 2.65Å; Q273-F280 PolarHBondContact O-N 3.1Å; K278-F280 HydrophobicContact CB-CE2 3.84Å; K278-F280 HydrophobicContact CB-CZ 4.3Å
281	F	98.3	Very high	93.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.8	173.6	-71.6	-98	0	0	0	108.7	T232 V248 F249 A250 I254 L258 I270 I271 V272 L279 V497 I498 I511	T232-F281 VanDerWaalsContact CB-O 3.32Å; T232-F281 WeakPolarHBondContact CB-O 3.44Å; T232-F281 PolarHBondContact OG1-O 3.13Å; V248-F281 HydrophobicContact CG1-CD2 3.83Å; V248-F281 HydrophobicContact CG1-CE2 3.57Å; F249-F281 PolarHBondContact O-N 2.93Å; A250-F281 HydrophobicContact CB-CB 4.09Å; I254-F281 VanDerWaalsContact CD1-O 3.25Å; I254-F281 WeakPolarHBondContact CD1-O 3.33Å; I254-F281 HydrophobicContact CG2-CB 3.77Å; L258-F281 HydrophobicContact CD1-CD1 3.78Å; L258-F281 HydrophobicContact CD1-CE1 3.84Å; I270-F281 HydrophobicContact CG2-CB 4.43Å; I270-F281 HydrophobicContact CG2-CD1 4.07Å; I271-F281 WeakPolarHBondContact O-CA 3.35Å; V272-F281 HydrophobicContact CG1-CD1 4.4Å; V272-F281 HydrophobicContact CG1-CE1 4.2Å; V272-F281 HydrophobicContact CG1-CZ 4.29Å; V272-F281 HydrophobicContact CG2-CD1 3.54Å; V272-F281 HydrophobicContact CG2-CE1 3.56Å; V272-F281 HydrophobicContact CG2-CG 4.4Å; V272-F281 HydrophobicContact CG2-CZ 4.42Å; L279-F281 HydrophobicContact CB-CE2 4.16Å; L279-F281 HydrophobicContact CD1-CE2 4.47Å; F281-V497 HydrophobicContact CE1-CG1 3.96Å; F281-V497 HydrophobicContact CZ-CG1 4.23Å; F281-I498 HydrophobicContact CE2-CG1 4.21Å; F281-I498 HydrophobicContact CZ-CG1 4.1Å; F281-I511 HydrophobicContact CD1-CD1 4.48Å; F281-I511 HydrophobicContact CE1-CD1 3.93Å
282	D	96.8	Very high	93.6	Very high	6 Å²	6	44 Å²	44	3%	0.032	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	165.2	-172.7	-78.5	-69.2	0	0	0	112.2	T231 T232 T233 I270 I271	T231-D282 WeakPolarHBondContact CB-OD1 3.42Å; T231-D282 VanDerWaalsContact CG2-OD1 3.27Å; T231-D282 WeakPolarHBondContact CG2-OD1 3.12Å; T231-D282 PolarHBondContact OG1-OD1 2.99Å; T232-D282 VanDerWaalsContact CA-OD1 3.31Å; T232-D282 WeakPolarHBondContact CA-OD1 3.34Å; T232-D282 WeakPolarHBondContact CB-OD1 3.49Å; T232-D282 PolarHBondContact N-OD1 2.8Å; T233-D282 WeakPolarHBondContact CG2-OD2 3.39Å; T233-D282 PolarHBondContact N-OD1 3.03Å; T233-D282 PolarHBondContact OG1-OD1 2.79Å; I270-D282 CarbonylContact C-O 3.59Å; I270-D282 WeakPolarHBondContact CG2-O 3.49Å; I271-D282 HydrophobicContact CB-CB 4.23Å; I271-D282 HydrophobicContact CG2-CB 4.47Å; I271-D282 PolarHBondContact N-O 3.37Å; I271-D282 PolarHBondContact O-N 3.23Å
283	K	94.2	Very high	93.6	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.057	24%	0.242	C	C	.	.			trans	-115.6	164.9	169.8	59.8	172.1	-177.4	173.4	0	109	T229 T231 I254 F289 D290	T229-K283 WeakPolarHBondContact O-CE 3.23Å; T229-K283 PolarHBondContact O-NZ 3.22Å; T231-K283 PolarHBondContact OG1-N 3.43Å; T231-K283 VanDerWaalsContact OG1-N 3.16Å; I254-K283 HydrophobicContact CD1-CB 4.31Å; I254-K283 HydrophobicContact CD1-CG 4.33Å; K283-F289 HydrophobicContact CB-CD1 4.22Å; K283-F289 HydrophobicContact CB-CD2 4.33Å; K283-F289 HydrophobicContact CB-CG 4.11Å; K283-F289 HydrophobicContact CD-CB 4.43Å; K283-F289 HydrophobicContact CD-CD1 3.72Å; K283-F289 HydrophobicContact CD-CE1 4.29Å; K283-F289 HydrophobicContact CD-CG 4.22Å; K283-D290 IonicContact NZ-OD1 3.25Å; K283-D290 PolarHBondContact NZ-OD1 3.09Å; K283-D290 IonicContact NZ-OD2 3.27Å; K283-D290 PolarHBondContact NZ-OD2 3.01Å
284	R	91.9	Very high	93.7	Very high	28 Å²	28	43 Å²	43	11%	0.106	23%	0.231	C	C	.	.			trans	-87.2	132.2	170.3	-67.9	-179	-63.5	117.3	-6.8	110.4	S164 D269 I271 N286 S287 F530	S164-R284 PolarHBondContact O-NH2 2.86Å; D269-R284 VanDerWaalsContact CG-NH2 3.33Å; D269-R284 IonicContact OD1-CZ 3.16Å; D269-R284 IonicContact OD1-NE 3.24Å; D269-R284 IonicContact OD1-NH2 3.24Å; D269-R284 PolarHBondContact OD1-NH2 3.24Å; D269-R284 IonicContact OD2-CZ 2.77Å; D269-R284 IonicContact OD2-NE 2.72Å; D269-R284 PolarHBondContact OD2-NE 3.2Å; D269-R284 IonicContact OD2-NH2 2.78Å; D269-R284 PolarHBondContact OD2-NH2 2.93Å; I271-R284 HydrophobicContact CD1-CG 3.53Å; I271-R284 HydrophobicContact CG1-CG 4.26Å; R284-N286 VanDerWaalsContact C-N 3.31Å; R284-N286 PolarHBondContact NH1-OD1 3.5Å; R284-N286 PolarHBondContact O-N 2.84Å; R284-S287 WeakPolarHBondContact O-CB 3.37Å; R284-S287 PolarHBondContact O-N 3.24Å; R284-S287 PolarHBondContact O-OG 3.09Å; R284-F530 HydrophobicContact CG-CD1 4.46Å
285	D	81.2	Confident	93.8	Very high	111 Å²	111	41.4 Å²	41.4	59%	0.594	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.5	-178.6	-53.1	-70.1	0	0	0	112.6	S287	D285-S287 PolarHBondContact O-N 2.95Å
286	N	79.4	Confident	93.8	Very high	125 Å²	125	38.2 Å²	38.2	67%	0.668	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	13.7	173.6	69.7	15.8	0	0	0	114.8	R284	R284-N286 VanDerWaalsContact C-N 3.31Å; R284-N286 PolarHBondContact NH1-OD1 3.5Å; R284-N286 PolarHBondContact O-N 2.84Å
287	S	88.7	Confident	94	Very high	25 Å²	25	38.2 Å²	38.2	18%	0.175	20%	0.201	C	C	.	.	S	Bend	trans	-107.5	156.2	-175.6	76.3	0	0	0	0	114.4	R284 D285 F289	R284-S287 WeakPolarHBondContact O-CB 3.37Å; R284-S287 PolarHBondContact O-N 3.24Å; R284-S287 PolarHBondContact O-OG 3.09Å; D285-S287 PolarHBondContact O-N 2.95Å; S287-F289 PolarHBondContact O-N 3.03Å; S287-F289 WeakPolarHBondContact OG-CB 3.28Å
288	D	91.3	Very high	94.1	Very high	78 Å²	78	33.7 Å²	33.7	42%	0.417	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-72.4	17.3	174.2	-74.8	-2.1	0	0	0	113.4	D290 L291 R313	D288-D290 VanDerWaalsContact C-N 3.33Å; D288-D290 PolarHBondContact O-N 3.04Å; D288-L291 HydrophobicContact CB-CB 4.43Å; D288-L291 HydrophobicContact CB-CD1 3.86Å; D288-L291 HydrophobicContact CB-CG 4.14Å; D288-L291 VanDerWaalsContact O-CB 3.31Å; D288-L291 WeakPolarHBondContact O-CB 3.23Å; D288-L291 PolarHBondContact O-N 3.34Å; D288-R313 IonicContact OD1-CZ 3.06Å; D288-R313 IonicContact OD1-NH1 3.98Å; D288-R313 PolarHBondContact OD1-NH1 2.85Å; D288-R313 IonicContact OD1-NH2 2.82Å; D288-R313 IonicContact OD2-CZ 3.83Å; D288-R313 IonicContact OD2-NH1 2.75Å; D288-R313 PolarHBondContact OD2-NH1 3.14Å
289	F	94.5	Very high	93.9	Very high	18 Å²	18	35.3 Å²	35.3	8%	0.079	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.5	-37.4	-169.8	-173.7	-85.8	0	0	0	114.3	A253 I254 T257 I270 K283 S287 L291	A253-F289 HydrophobicContact CB-CE1 4.45Å; I254-F289 HydrophobicContact CG1-CE1 4.17Å; I254-F289 HydrophobicContact CG1-CZ 4.05Å; T257-F289 HydrophobicContact CG2-CE2 3.9Å; T257-F289 HydrophobicContact CG2-CZ 4.01Å; T257-F289 WeakPolarHBondContact OG1-CZ 3.44Å; I270-F289 HydrophobicContact CD1-CE2 4.3Å; I270-F289 HydrophobicContact CG1-CE2 3.82Å; I270-F289 HydrophobicContact CG1-CZ 4.39Å; K283-F289 HydrophobicContact CB-CD1 4.22Å; K283-F289 HydrophobicContact CB-CD2 4.33Å; K283-F289 HydrophobicContact CB-CG 4.11Å; K283-F289 HydrophobicContact CD-CB 4.43Å; K283-F289 HydrophobicContact CD-CD1 3.72Å; K283-F289 HydrophobicContact CD-CE1 4.29Å; K283-F289 HydrophobicContact CD-CG 4.22Å; S287-F289 PolarHBondContact O-N 3.03Å; S287-F289 WeakPolarHBondContact OG-CB 3.28Å; F289-L291 VanDerWaalsContact C-N 3.29Å
290	D	94.4	Very high	93.5	Very high	56 Å²	56	40.5 Å²	40.5	30%	0.299	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-83	-4.5	178.1	-56.7	-52.7	0	0	0	113	K283 D288 T320	K283-D290 IonicContact NZ-OD1 3.25Å; K283-D290 PolarHBondContact NZ-OD1 3.09Å; K283-D290 IonicContact NZ-OD2 3.27Å; K283-D290 PolarHBondContact NZ-OD2 3.01Å; D288-D290 VanDerWaalsContact C-N 3.33Å; D288-D290 PolarHBondContact O-N 3.04Å; D290-T320 PolarHBondContact O-OG1 3.42Å
291	L	96.1	Very high	93.2	Very high	38 Å²	38	40.1 Å²	40.1	20%	0.199	21%	0.214	C	C	.	.	S	Bend	trans	-74.6	132.5	176.7	-60.6	-170	0	0	0	111.6	D288 F289 T293 A316 M317 T320	D288-L291 HydrophobicContact CB-CB 4.43Å; D288-L291 HydrophobicContact CB-CD1 3.86Å; D288-L291 HydrophobicContact CB-CG 4.14Å; D288-L291 VanDerWaalsContact O-CB 3.31Å; D288-L291 WeakPolarHBondContact O-CB 3.23Å; D288-L291 PolarHBondContact O-N 3.34Å; F289-L291 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 3.03Å; L291-A316 HydrophobicContact CB-CB 3.99Å; L291-A316 HydrophobicContact CD1-CB 4.48Å; L291-M317 HydrophobicContact CD1-CG 4.02Å; L291-M317 HydrophobicContact CD2-CG 4.43Å; L291-T320 WeakPolarHBondContact CA-OG1 3.4Å; L291-T320 HydrophobicContact CD2-CG2 4.5Å
292	L	97.4	Very high	92.9	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.073	22%	0.218	C	C	.	.			trans	-85.5	105.7	-176.8	-67.3	176.4	0	0	0	110.8	A316 A319 T320 N323 K434 W438	L292-A316 WeakPolarHBondContact O-CA 3.34Å; L292-A319 HydrophobicContact CB-CB 4.03Å; L292-T320 PolarHBondContact N-OG1 3.17Å; L292-N323 HydrophobicContact CD1-CB 3.51Å; L292-K434 HydrophobicContact CB-CD 4.05Å; L292-K434 HydrophobicContact CD2-CD 4.29Å; L292-W438 HydrophobicContact CD1-CZ2 3.97Å; L292-W438 HydrophobicContact CD2-CZ2 3.94Å
293	T	96.9	Very high	92.4	Very high	31 Å²	31	44.1 Å²	44.1	19%	0.19	23%	0.234	C	C	.	.			trans	-55.3	146.1	178.1	64.1	0	0	0	0	112.5	L291 E296 K434	L291-T293 PolarHBondContact O-N 3.03Å; T293-E296 WeakPolarHBondContact CB-OE2 3.49Å; T293-E296 WeakPolarHBondContact CG2-OE2 3.47Å; T293-E296 PolarHBondContact OG1-OE2 3.47Å; T293-K434 VanDerWaalsContact O-CD 3.31Å; T293-K434 WeakPolarHBondContact O-CD 3.41Å; T293-K434 WeakPolarHBondContact O-CE 3.5Å; T293-K434 PolarHBondContact O-NZ 3.31Å
294	V	97.4	Very high	92.1	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	25%	0.249	C	C	.	.	S	Bend	trans	-124.3	123.3	-177.7	-178.6	0	0	0	0	109.9	E296 L315 A319	V294-E296 PolarHBondContact O-N 3.47Å; V294-E296 VanDerWaalsContact O-N 3.15Å; V294-L315 HydrophobicContact CB-CB 3.99Å; V294-L315 HydrophobicContact CG1-CB 4.41Å; V294-L315 HydrophobicContact CG1-CD1 4.4Å; V294-L315 HydrophobicContact CG2-CB 4.03Å; V294-L315 WeakPolarHBondContact CG2-O 3.36Å; V294-A319 HydrophobicContact CG2-CB 3.56Å
295	S	97.1	Very high	91.6	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.042	27%	0.268	C	S	.	.	S	Bend	trans	57.6	25.9	178.8	-56	0	0	0	0	114	T297 A298 W402 N430 N431	S295-T297 PolarHBondContact O-N 2.87Å; S295-A298 VanDerWaalsContact O-CB 3.23Å; S295-A298 WeakPolarHBondContact O-CB 3.27Å; S295-A298 PolarHBondContact O-N 3.43Å; S295-W402 PolarHBondContact OG-NE1 3.43Å; S295-N430 CarbonylContact C-O 3.56Å; S295-N430 WeakPolarHBondContact CA-O 3.31Å; S295-N431 PolarHBondContact N-OD1 3.34Å
296	E	96.1	Very high	91.3	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.033	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-44.1	-177.3	173	-179.2	-179.2	0	0	113.5	V265 N266 T293 V294 N430	V265-E296 HydrophobicContact CB-CG 3.88Å; V265-E296 PolarHBondContact N-OE1 3.13Å; N266-E296 PolarHBondContact N-OE1 3.17Å; T293-E296 WeakPolarHBondContact CB-OE2 3.49Å; T293-E296 WeakPolarHBondContact CG2-OE2 3.47Å; T293-E296 PolarHBondContact OG1-OE2 3.47Å; V294-E296 PolarHBondContact O-N 3.47Å; V294-E296 VanDerWaalsContact O-N 3.15Å; E296-N430 PolarHBondContact N-O 3.3Å
297	T	96.4	Very high	91.5	Very high	29 Å²	29	50.2 Å²	50.2	18%	0.178	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11.4	-175.1	64.8	0	0	0	0	112.6	V265 S295 K429 N430 N431 S432	V265-T297 HydrophobicContact CG2-CG2 4.03Å; S295-T297 PolarHBondContact O-N 2.87Å; T297-K429 CarbonylContact C-O 3.59Å; T297-K429 VanDerWaalsContact O-O 3.08Å; T297-K429 PolarHBondContact OG1-O 2.82Å; T297-N430 PolarHBondContact N-O 2.82Å; T297-N430 PolarHBondContact OG1-O 3.47Å; T297-N431 PolarHBondContact OG1-N 3.23Å; T297-S432 WeakPolarHBondContact OG1-CB 3.44Å; T297-S432 PolarHBondContact OG1-N 3.42Å
298	A	95.6	Very high	91.6	Very high	10 Å²	10	50.4 Å²	50.4	8%	0.083	28%	0.279	C	S	.	.	S	Bend	trans	-64.7	154.5	173	0	0	0	0	0	111.5	S295 E300 C407 N430	S295-A298 VanDerWaalsContact O-CB 3.23Å; S295-A298 WeakPolarHBondContact O-CB 3.27Å; S295-A298 PolarHBondContact O-N 3.43Å; A298-E300 PolarHBondContact O-N 2.79Å; A298-C407 HydrophobicContact CB-CB 3.86Å; A298-N430 WeakPolarHBondContact CA-OD1 3.43Å; A298-N430 HydrophobicContact CB-CB 4.15Å; A298-N430 WeakPolarHBondContact CB-OD1 3.45Å
299	N	91.4	Very high	91.6	Very high	107 Å²	107	50.3 Å²	50.3	57%	0.572	28%	0.275	S	S	*	.	S	Bend	trans	-56.7	-36.3	174.5	-74	17.1	0	0	0	112.3	K429	N299-K429 VanDerWaalsContact CG-NZ 3.33Å; N299-K429 PolarHBondContact ND2-NZ 3.43Å; N299-K429 WeakPolarHBondContact OD1-CE 3.34Å; N299-K429 PolarHBondContact OD1-NZ 2.77Å
300	E	90.6	Very high	91.6	Very high	112 Å²	112	50.1 Å²	50.1	52%	0.523	28%	0.275	S	S	.	.	S	Bend	trans	-130.1	93.9	176.3	-68.1	176.4	173.6	0	0	105.5	A298 C407	A298-E300 PolarHBondContact O-N 2.79Å; E300-C407 PolarHBondContact O-SG 2.75Å
301	P	91.8	Very high	91.6	Very high	18 Å²	18	47.9 Å²	47.9	12%	0.117	26%	0.264	C	S	.	.			trans	-72	167.9	177	31.3	-35.4	0	0	0	110.7	L158 Q303	L158-P301 HydrophobicContact CD2-CG 4.41Å; P301-Q303 PolarHBondContact O-N 3.28Å
302	P	91.4	Very high	91.4	Very high	13 Å²	13	49.1 Å²	49.1	8%	0.084	27%	0.274	C	S	.	.			trans	-55.9	138.8	173.9	-24.3	34.9	0	0	0	112	P312 L315 W402	P302-P312 HydrophobicContact CB-CG 4.31Å; P302-L315 HydrophobicContact CB-CD1 3.99Å; P302-L315 HydrophobicContact CG-CD1 3.78Å; P302-W402 HydrophobicContact CG-CZ2 4.16Å
303	Q	87.2	Confident	91.2	Very high	76 Å²	76	55 Å²	55	36%	0.355	30%	0.296	S	S	.	.			trans	-135.2	16.3	-179.6	-63.3	-71.9	-88.3	0	0	111.5	L158 P301	L158-Q303 HydrophobicContact CD2-CG 4.41Å; P301-Q303 PolarHBondContact O-N 3.28Å
304	D	86.7	Confident	91.1	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	30%	0.301	S	S	.	.			trans	-72.1	141.1	178	-91.9	38.3	0	0	0	110.4	S308 N310 S311 P312	D304-S308 PolarHBondContact OD2-OG 3.41Å; D304-N310 HydrophobicContact CB-CB 4.31Å; D304-S311 VanDerWaalsContact O-CA 3.25Å; D304-S311 WeakPolarHBondContact O-CA 3.46Å; D304-S311 WeakPolarHBondContact O-CB 3.38Å; D304-P312 VanDerWaalsContact O-CD 3.31Å; D304-P312 WeakPolarHBondContact O-CD 3.47Å
305	E	81.8	Confident	91.1	Very high	111 Å²	111	55.8 Å²	55.8	52%	0.519	30%	0.298	S	S	.	.			trans	-113.6	158.1	-169.7	-65.6	-65.5	177.1	0	0	113.5	K159 N307 S308	K159-E305 WeakPolarHBondContact CD-OE1 3.49Å; K159-E305 VanDerWaalsContact NZ-CD 3.32Å; K159-E305 IonicContact NZ-OE1 2.86Å; K159-E305 PolarHBondContact NZ-OE1 2.9Å; E305-N307 PolarHBondContact O-N 3.34Å; E305-S308 PolarHBondContact O-N 3.49Å
306	G	76.2	Confident	91.1	Very high	52 Å²	52	56 Å²	56	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-129.1	171.6	0	0	0	0	0	113.4	S308	G306-S308 PolarHBondContact O-N 2.82Å
307	N	83.1	Confident	91.1	Very high	174 Å²	174	60 Å²	60	93%	0.93	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	12.8	-175.2	-66	-4.9	0	0	0	114.6	E305 F309	E305-N307 PolarHBondContact O-N 3.34Å; N307-F309 PolarHBondContact O-N 3.4Å
308	S	90.9	Very high	91.1	Very high	28 Å²	28	59.5 Å²	59.5	20%	0.196	32%	0.315	C	S	.	.			trans	-67.2	127.9	168.7	-177.1	0	0	0	0	110.1	D304 E305 G306 N310 S311 N314	D304-S308 PolarHBondContact OD2-OG 3.41Å; E305-S308 PolarHBondContact O-N 3.49Å; G306-S308 PolarHBondContact O-N 2.82Å; S308-N310 PolarHBondContact O-N 3.45Å; S308-N310 VanDerWaalsContact O-N 3.09Å; S308-N310 PolarHBondContact OG-N 2.96Å; S308-S311 WeakPolarHBondContact O-CB 3.4Å; S308-S311 PolarHBondContact O-N 3.16Å; S308-S311 PolarHBondContact O-OG 3.15Å; S308-N314 PolarHBondContact O-ND2 3.4Å
309	F	90.1	Very high	91.3	Very high	76 Å²	76	59.1 Å²	59.1	33%	0.333	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-2.2	171.1	61.4	-92.8	0	0	0	113.3	N307 R457 K461	N307-F309 PolarHBondContact O-N 3.4Å; F309-R457 PolarHBondContact O-NH2 2.6Å; F309-R457 VanDerWaalsContact O-NH2 3.15Å; F309-K461 HydrophobicContact CZ-CB 4.27Å
310	N	94.6	Very high	91.6	Very high	14 Å²	14	54.7 Å²	54.7	8%	0.075	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	8.4	170.9	-67	-22.2	0	0	0	112.9	D304 S308 L315 W402 R457	D304-N310 HydrophobicContact CB-CB 4.31Å; S308-N310 PolarHBondContact O-N 3.45Å; S308-N310 VanDerWaalsContact O-N 3.09Å; S308-N310 PolarHBondContact OG-N 2.96Å; N310-L315 WeakPolarHBondContact O-CD1 3.42Å; N310-W402 HydrophobicContact CB-CE3 4.36Å; N310-W402 HydrophobicContact CB-CZ3 4.1Å; N310-R457 PolarHBondContact OD1-NH1 3.33Å; N310-R457 PolarHBondContact OD1-NH2 3.26Å; N310-R457 VanDerWaalsContact OD1-NH2 3.17Å
311	S	93.7	Very high	91.9	Very high	10 Å²	10	54.1 Å²	54.1	7%	0.07	28%	0.283	C	S	.	.	S	Bend	trans	-63.6	150.1	172.1	72.4	0	0	0	0	110.8	D304 S308 R313 N314 L315	D304-S311 VanDerWaalsContact O-CA 3.25Å; D304-S311 WeakPolarHBondContact O-CA 3.46Å; D304-S311 WeakPolarHBondContact O-CB 3.38Å; S308-S311 WeakPolarHBondContact O-CB 3.4Å; S308-S311 PolarHBondContact O-N 3.16Å; S308-S311 PolarHBondContact O-OG 3.15Å; S311-R313 VanDerWaalsContact C-N 3.27Å; S311-R313 PolarHBondContact O-N 2.92Å; S311-N314 PolarHBondContact O-N 3.32Å; S311-N314 VanDerWaalsContact O-N 3.13Å; S311-N314 WeakPolarHBondContact OG-CB 3.49Å; S311-N314 PolarHBondContact OG-N 2.9Å; S311-N314 PolarHBondContact OG-ND2 3.02Å; S311-L315 WeakPolarHBondContact O-CG 3.33Å; S311-L315 PolarHBondContact O-N 2.85Å
312	P	93.6	Very high	92.2	Very high	64 Å²	64	53.4 Å²	53.4	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-52.9	-41.8	-175.9	-28.1	34.1	0	0	0	113.9	P302 D304 A316	P302-P312 HydrophobicContact CB-CG 4.31Å; D304-P312 VanDerWaalsContact O-CD 3.31Å; D304-P312 WeakPolarHBondContact O-CD 3.47Å; P312-A316 WeakPolarHBondContact O-CB 3.29Å; P312-A316 PolarHBondContact O-N 3.4Å
313	R	93.1	Very high	92.5	Very high	138 Å²	138	53.4 Å²	53.4	52%	0.521	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-48	177.4	-174.3	177.4	173.8	92.6	2.3	112	D288 S311 L315 A316 M317	D288-R313 IonicContact OD1-CZ 3.06Å; D288-R313 IonicContact OD1-NH1 3.98Å; D288-R313 PolarHBondContact OD1-NH1 2.85Å; D288-R313 IonicContact OD1-NH2 2.82Å; D288-R313 IonicContact OD2-CZ 3.83Å; D288-R313 IonicContact OD2-NH1 2.75Å; D288-R313 PolarHBondContact OD2-NH1 3.14Å; S311-R313 VanDerWaalsContact C-N 3.27Å; S311-R313 PolarHBondContact O-N 2.92Å; R313-L315 PolarHBondContact O-N 3.13Å; R313-A316 PolarHBondContact O-N 2.97Å; R313-A316 VanDerWaalsContact O-N 3.16Å; R313-M317 HydrophobicContact CG-SD 4.23Å; R313-M317 WeakPolarHBondContact O-CG 3.48Å; R313-M317 PolarHBondContact O-N 3.17Å
314	N	95.4	Very high	93	Very high	58 Å²	58	52.6 Å²	52.6	31%	0.31	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-39	179.3	-73.9	-29.5	0	0	0	112.1	S308 S311 A316 E318	S308-N314 PolarHBondContact O-ND2 3.4Å; S311-N314 PolarHBondContact O-N 3.32Å; S311-N314 VanDerWaalsContact O-N 3.13Å; S311-N314 WeakPolarHBondContact OG-CB 3.49Å; S311-N314 PolarHBondContact OG-N 2.9Å; S311-N314 PolarHBondContact OG-ND2 3.02Å; N314-A316 VanDerWaalsContact C-N 3.34Å; N314-E318 WeakPolarHBondContact O-CB 3.14Å; N314-E318 PolarHBondContact O-N 3.04Å
315	L	96.8	Very high	93.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-37.9	173.3	-72.6	176	0	0	0	112.3	V294 P302 N310 S311 R313 A319 W402	V294-L315 HydrophobicContact CB-CB 3.99Å; V294-L315 HydrophobicContact CG1-CB 4.41Å; V294-L315 HydrophobicContact CG1-CD1 4.4Å; V294-L315 HydrophobicContact CG2-CB 4.03Å; V294-L315 WeakPolarHBondContact CG2-O 3.36Å; P302-L315 HydrophobicContact CB-CD1 3.99Å; P302-L315 HydrophobicContact CG-CD1 3.78Å; N310-L315 WeakPolarHBondContact O-CD1 3.42Å; S311-L315 WeakPolarHBondContact O-CG 3.33Å; S311-L315 PolarHBondContact O-N 2.85Å; R313-L315 PolarHBondContact O-N 3.13Å; L315-A319 VanDerWaalsContact O-CB 3.28Å; L315-A319 WeakPolarHBondContact O-CB 3.35Å; L315-A319 PolarHBondContact O-N 3.15Å; L315-W402 HydrophobicContact CD1-CD2 4.28Å; L315-W402 HydrophobicContact CD1-CE3 4.5Å; L315-W402 HydrophobicContact CD2-CB 3.89Å; L315-W402 HydrophobicContact CD2-CD2 4.15Å; L315-W402 HydrophobicContact CD2-CE3 4.34Å; L315-W402 HydrophobicContact CD2-CG 3.97Å
316	A	96.6	Very high	94.3	Very high	9 Å²	9	44.3 Å²	44.3	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-70.5	-42.2	178.4	0	0	0	0	0	112.1	L291 L292 P312 R313 N314 A319 T320	L291-A316 HydrophobicContact CB-CB 3.99Å; L291-A316 HydrophobicContact CD1-CB 4.48Å; L292-A316 WeakPolarHBondContact O-CA 3.34Å; P312-A316 WeakPolarHBondContact O-CB 3.29Å; P312-A316 PolarHBondContact O-N 3.4Å; R313-A316 PolarHBondContact O-N 2.97Å; R313-A316 VanDerWaalsContact O-N 3.16Å; N314-A316 VanDerWaalsContact C-N 3.34Å; A316-A319 PolarHBondContact O-N 3.45Å; A316-T320 PolarHBondContact O-N 3Å; A316-T320 PolarHBondContact O-OG1 3.41Å
317	M	95.9	Very high	95.3	Very high	93 Å²	93	42 Å²	42	46%	0.458	21%	0.208	S	C	.	.	H	α-helix	trans	-59.5	-45.5	171.4	-68.2	174.5	69.9	0	0	111.7	L291 R313 T320 Y321	L291-M317 HydrophobicContact CD1-CG 4.02Å; L291-M317 HydrophobicContact CD2-CG 4.43Å; R313-M317 HydrophobicContact CG-SD 4.23Å; R313-M317 WeakPolarHBondContact O-CG 3.48Å; R313-M317 PolarHBondContact O-N 3.17Å; M317-T320 PolarHBondContact O-N 3.03Å; M317-Y321 WeakPolarHBondContact O-CB 3.33Å; M317-Y321 PolarHBondContact O-N 2.97Å
318	E	97.5	Very high	96	Very high	17 Å²	17	33.8 Å²	33.8	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-41.7	175.3	-178.2	-178.6	175.9	0	0	111.8	N314 Y321 I322 R457 S463 H466	N314-E318 WeakPolarHBondContact O-CB 3.14Å; N314-E318 PolarHBondContact O-N 3.04Å; E318-Y321 PolarHBondContact O-N 3.37Å; E318-I322 HydrophobicContact CG-CD1 3.86Å; E318-I322 HydrophobicContact CG-CG1 4.42Å; E318-I322 WeakPolarHBondContact O-CB 3.38Å; E318-I322 VanDerWaalsContact O-CG1 3.22Å; E318-I322 WeakPolarHBondContact O-CG1 3.28Å; E318-I322 PolarHBondContact O-N 2.85Å; E318-R457 WeakPolarHBondContact OE1-CG 3.38Å; E318-R457 IonicContact OE1-CZ 3.9Å; E318-R457 IonicContact OE1-NE 2.74Å; E318-R457 PolarHBondContact OE1-NE 3.43Å; E318-R457 IonicContact OE1-NH2 3.71Å; E318-R457 IonicContact OE2-CZ 2.72Å; E318-R457 IonicContact OE2-NE 2.89Å; E318-R457 PolarHBondContact OE2-NE 2.96Å; E318-R457 IonicContact OE2-NH2 3.34Å; E318-R457 PolarHBondContact OE2-NH2 2.89Å; E318-S463 WeakPolarHBondContact OE2-CB 3.3Å; E318-H466 IonicContact OE1-CD2 2.64Å; E318-H466 IonicContact OE1-CE1 2.9Å; E318-H466 IonicContact OE1-NE2 3.06Å; E318-H466 PolarHBondContact OE1-NE2 3.47Å
319	A	98.2	Very high	96.3	Very high	2 Å²	2	33 Å²	33	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-42.8	178.6	0	0	0	0	0	112.6	L292 V294 L315 A316 I322 N323	L292-A319 HydrophobicContact CB-CB 4.03Å; V294-A319 HydrophobicContact CG2-CB 3.56Å; L315-A319 VanDerWaalsContact O-CB 3.28Å; L315-A319 WeakPolarHBondContact O-CB 3.35Å; L315-A319 PolarHBondContact O-N 3.15Å; A316-A319 PolarHBondContact O-N 3.45Å; A319-I322 PolarHBondContact O-N 3.3Å; A319-N323 VanDerWaalsContact O-CB 3.31Å; A319-N323 WeakPolarHBondContact O-CB 3.24Å; A319-N323 PolarHBondContact O-N 2.66Å
320	T	97.7	Very high	96.6	Very high	14 Å²	14	29.4 Å²	29.4	9%	0.086	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-45	173.8	-65.3	0	0	0	0	111.1	D290 L291 L292 A316 M317 I322 N323 H324	D290-T320 PolarHBondContact O-OG1 3.42Å; L291-T320 WeakPolarHBondContact CA-OG1 3.4Å; L291-T320 HydrophobicContact CD2-CG2 4.5Å; L292-T320 PolarHBondContact N-OG1 3.17Å; A316-T320 PolarHBondContact O-N 3Å; A316-T320 PolarHBondContact O-OG1 3.41Å; M317-T320 PolarHBondContact O-N 3.03Å; T320-I322 PolarHBondContact O-N 3.02Å; T320-N323 PolarHBondContact O-N 2.94Å; T320-N323 VanDerWaalsContact O-N 3.16Å; T320-H324 PolarHBondContact O-CD2 2.85Å; T320-H324 PolarHBondContact O-N 3.29Å
321	Y	97.4	Very high	96.7	Very high	100 Å²	100	29 Å²	29	39%	0.392	14%	0.14	S	C	.	.	H	α-helix	trans	-57.9	-48.3	173.2	173.3	-99.8	0	0	0	112.2	S222 M317 E318 N323 H324 N325	S222-Y321 VanDerWaalsContact CB-OH 3.26Å; S222-Y321 WeakPolarHBondContact CB-OH 3.31Å; S222-Y321 PolarHBondContact OG-OH 3.04Å; M317-Y321 WeakPolarHBondContact O-CB 3.33Å; M317-Y321 PolarHBondContact O-N 2.97Å; E318-Y321 PolarHBondContact O-N 3.37Å; Y321-N323 VanDerWaalsContact C-N 3.28Å; Y321-N323 PolarHBondContact O-N 2.94Å; Y321-H324 PolarHBondContact O-N 3.32Å; Y321-N325 WeakPolarHBondContact CD1-ND2 3.21Å; Y321-N325 VanDerWaalsContact CD2-ND2 3.31Å; Y321-N325 WeakPolarHBondContact CD2-ND2 3.31Å; Y321-N325 VanDerWaalsContact CE1-ND2 3.29Å; Y321-N325 WeakPolarHBondContact CE1-ND2 3.41Å; Y321-N325 WeakPolarHBondContact CE2-ND2 3.12Å; Y321-N325 PolarHBondContact O-N 3.16Å; Y321-N325 PolarHBondContact O-ND2 2.95Å
322	I	98.3	Very high	96.8	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-44.2	175.2	-74.2	165.6	0	0	0	110.6	L220 E318 A319 T320 N325 F326 T398 N400 V455	L220-I322 HydrophobicContact CD2-CB 4.45Å; L220-I322 HydrophobicContact CD2-CG1 4.2Å; L220-I322 HydrophobicContact CD2-CG2 4.37Å; E318-I322 HydrophobicContact CG-CD1 3.86Å; E318-I322 HydrophobicContact CG-CG1 4.42Å; E318-I322 WeakPolarHBondContact O-CB 3.38Å; E318-I322 VanDerWaalsContact O-CG1 3.22Å; E318-I322 WeakPolarHBondContact O-CG1 3.28Å; E318-I322 PolarHBondContact O-N 2.85Å; A319-I322 PolarHBondContact O-N 3.3Å; T320-I322 PolarHBondContact O-N 3.02Å; I322-N325 PolarHBondContact O-N 3.32Å; I322-F326 WeakPolarHBondContact O-CB 3.4Å; I322-F326 PolarHBondContact O-N 2.84Å; I322-T398 HydrophobicContact CG2-CG2 3.66Å; I322-N400 HydrophobicContact CD1-CB 3.91Å; I322-V455 HydrophobicContact CD1-CG1 4.48Å; I322-V455 HydrophobicContact CG1-CG1 4.49Å; I322-V455 HydrophobicContact CG2-CB 3.78Å; I322-V455 HydrophobicContact CG2-CG1 3.72Å; I322-V455 HydrophobicContact CG2-CG2 4.06Å
323	N	98.3	Very high	96.5	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.07	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-42.9	-177.3	-171.8	72.2	0	0	0	112.7	L292 A319 T320 Y321 S327 K397 T398	L292-N323 HydrophobicContact CD1-CB 3.51Å; A319-N323 VanDerWaalsContact O-CB 3.31Å; A319-N323 WeakPolarHBondContact O-CB 3.24Å; A319-N323 PolarHBondContact O-N 2.66Å; T320-N323 PolarHBondContact O-N 2.94Å; T320-N323 VanDerWaalsContact O-N 3.16Å; Y321-N323 VanDerWaalsContact C-N 3.28Å; Y321-N323 PolarHBondContact O-N 2.94Å; N323-S327 WeakPolarHBondContact O-CB 3.43Å; N323-S327 PolarHBondContact O-N 3.32Å; N323-S327 PolarHBondContact O-OG 3.14Å; N323-K397 WeakPolarHBondContact OD1-CA 3.35Å; N323-T398 WeakPolarHBondContact OD1-CB 3.31Å; N323-T398 PolarHBondContact OD1-N 3.49Å; N323-T398 PolarHBondContact OD1-OG1 2.82Å
324	H	97.4	Very high	96	Very high	60 Å²	60	33.5 Å²	33.5	28%	0.278	18%	0.177	S	C	.	.	H	α-helix	trans	-62.5	-45.4	174.9	-71.4	-172.9	0	0	0	111.6	F227 T320 Y321 S327	F227-H324 HydrophobicContact CD2-CB 4.26Å; F227-H324 AromaticContact CD2-ND1 3.82Å; F227-H324 HydrophobicContact CE1-CB 4.14Å; F227-H324 HydrophobicContact CE2-CB 3.68Å; F227-H324 AromaticContact CG-ND1 3.96Å; F227-H324 HydrophobicContact CZ-CB 3.61Å; F227-H324 WeakPolarHBondContact CZ-O 3.34Å; T320-H324 PolarHBondContact O-CD2 2.85Å; T320-H324 PolarHBondContact O-N 3.29Å; Y321-H324 PolarHBondContact O-N 3.32Å; H324-S327 PolarHBondContact O-OG 3.17Å; H324-S327 VanDerWaalsContact O-OG 3.12Å
325	N	97.9	Very high	95.5	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-45.7	178	-72.9	-63.1	0	0	0	112.2	L220 K221 S222 I223 Y321 I322 Q328 Q329	L220-N325 HydrophobicContact CD1-CB 4.34Å; L220-N325 HydrophobicContact CD2-CB 4.09Å; L220-N325 HydrophobicContact CG-CB 4.2Å; K221-N325 WeakPolarHBondContact O-CB 3.46Å; K221-N325 PolarHBondContact O-OD1 2.85Å; S222-N325 WeakPolarHBondContact CA-OD1 3.46Å; I223-N325 PolarHBondContact N-OD1 3.25Å; Y321-N325 WeakPolarHBondContact CD1-ND2 3.21Å; Y321-N325 VanDerWaalsContact CD2-ND2 3.31Å; Y321-N325 WeakPolarHBondContact CD2-ND2 3.31Å; Y321-N325 VanDerWaalsContact CE1-ND2 3.29Å; Y321-N325 WeakPolarHBondContact CE1-ND2 3.41Å; Y321-N325 WeakPolarHBondContact CE2-ND2 3.12Å; Y321-N325 PolarHBondContact O-N 3.16Å; Y321-N325 PolarHBondContact O-ND2 2.95Å; I322-N325 PolarHBondContact O-N 3.32Å; N325-Q328 PolarHBondContact O-N 3.15Å; N325-Q329 WeakPolarHBondContact O-CB 3.37Å; N325-Q329 PolarHBondContact O-N 2.93Å
326	F	98.4	Very high	95.2	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-40.4	-177.3	180	-95.3	0	0	0	112.4	F209 L220 I322 Q328 Q329 C330 V396 T398 G453 V455 I468 T471	F209-F326 HydrophobicContact CD1-CE2 4.49Å; L220-F326 HydrophobicContact CD1-CB 4Å; L220-F326 HydrophobicContact CD1-CD2 4.36Å; I322-F326 WeakPolarHBondContact O-CB 3.4Å; I322-F326 PolarHBondContact O-N 2.84Å; F326-Q328 PolarHBondContact O-N 2.79Å; F326-Q329 PolarHBondContact O-N 3.27Å; F326-C330 HydrophobicContact CE1-CB 4.49Å; F326-C330 HydrophobicContact CE2-CB 4.46Å; F326-C330 HydrophobicContact CZ-CB 4.16Å; F326-C330 PolarHBondContact O-N 3.34Å; F326-C330 VanDerWaalsContact O-N 3.12Å; F326-C330 PolarHBondContact O-SG 3.38Å; F326-C330 VanDerWaalsContact O-SG 3.42Å; F326-V396 HydrophobicContact CD1-CG1 3.78Å; F326-V396 HydrophobicContact CE1-CG1 3.59Å; F326-T398 HydrophobicContact CB-CG2 3.84Å; F326-T398 WeakPolarHBondContact CB-OG1 3.37Å; F326-T398 HydrophobicContact CD1-CG2 4.01Å; F326-T398 VanDerWaalsContact CD1-OG1 3.23Å; F326-T398 WeakPolarHBondContact CD1-OG1 3.38Å; F326-T398 HydrophobicContact CG-CG2 3.87Å; F326-G453 VanDerWaalsContact CE1-CA 3.49Å; F326-G453 VanDerWaalsContact CZ-CA 3.47Å; F326-V455 HydrophobicContact CD2-CG2 4.07Å; F326-V455 HydrophobicContact CG-CG2 4.43Å; F326-I468 HydrophobicContact CD2-CD1 3.88Å; F326-I468 HydrophobicContact CD2-CG1 4.07Å; F326-I468 HydrophobicContact CD2-CG2 4.42Å; F326-I468 HydrophobicContact CE2-CD1 4.01Å; F326-I468 HydrophobicContact CE2-CG1 4.27Å; F326-I468 HydrophobicContact CE2-CG2 3.83Å; F326-T471 HydrophobicContact CE2-CG2 4.36Å; F326-T471 HydrophobicContact CZ-CG2 3.8Å
327	S	97.5	Very high	95	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-34.1	-179	71.9	0	0	0	0	112.5	N323 H324 L331	N323-S327 WeakPolarHBondContact O-CB 3.43Å; N323-S327 PolarHBondContact O-N 3.32Å; N323-S327 PolarHBondContact O-OG 3.14Å; H324-S327 PolarHBondContact O-OG 3.17Å; H324-S327 VanDerWaalsContact O-OG 3.12Å; S327-L331 WeakPolarHBondContact O-CD1 3.4Å; S327-L331 VanDerWaalsContact O-CG 3.31Å; S327-L331 WeakPolarHBondContact O-CG 3.2Å
328	Q	96.8	Very high	95	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-88.8	-36.8	176.5	-51.7	-56.6	-65.1	0	0	112	I223 R225 F227 N325 F326 C330 L331	I223-Q328 HydrophobicContact CD1-CB 4.28Å; I223-Q328 HydrophobicContact CG2-CB 4.02Å; R225-Q328 HydrophobicContact CG-CG 4.15Å; F227-Q328 HydrophobicContact CE1-CG 4.2Å; F227-Q328 HydrophobicContact CZ-CG 3.64Å; N325-Q328 PolarHBondContact O-N 3.15Å; F326-Q328 PolarHBondContact O-N 2.79Å; Q328-C330 VanDerWaalsContact C-N 3.3Å; Q328-C330 PolarHBondContact O-N 3.12Å; Q328-L331 PolarHBondContact O-N 2.88Å; Q328-L331 VanDerWaalsContact O-N 3.13Å
329	Q	97.5	Very high	94.8	Very high	11 Å²	11	47.8 Å²	47.8	5%	0.051	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-31.7	-176.6	-169.8	172.4	-9.2	0	0	113.1	F209 Q219 L220 I223 N325 F326 L331	F209-Q329 HydrophobicContact CE1-CG 4.32Å; F209-Q329 WeakPolarHBondContact CE2-O 3.34Å; F209-Q329 HydrophobicContact CZ-CG 4.08Å; F209-Q329 WeakPolarHBondContact CZ-O 3.31Å; Q219-Q329 PolarHBondContact O-NE2 2.83Å; L220-Q329 VanDerWaalsContact CA-OE1 3.3Å; I223-Q329 VanDerWaalsContact CD1-CA 3.48Å; I223-Q329 HydrophobicContact CD1-CB 3.52Å; I223-Q329 HydrophobicContact CD1-CG 4.06Å; N325-Q329 WeakPolarHBondContact O-CB 3.37Å; N325-Q329 PolarHBondContact O-N 2.93Å; F326-Q329 PolarHBondContact O-N 3.27Å; Q329-L331 PolarHBondContact O-N 2.88Å
330	C	97	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.4	177.8	69.5	0	0	0	0	114.7	Y205 D206 F209 F326 Q328	Y205-C330 HydrophobicContact CD2-CB 4.29Å; Y205-C330 HydrophobicContact CE2-CB 3.79Å; D206-C330 PolarHBondContact N-O 2.97Å; F209-C330 HydrophobicContact CD1-CB 4.02Å; F209-C330 HydrophobicContact CD2-CB 4.43Å; F209-C330 HydrophobicContact CE1-CB 4.22Å; F209-C330 HydrophobicContact CG-CB 4.13Å; F326-C330 HydrophobicContact CE1-CB 4.49Å; F326-C330 HydrophobicContact CE2-CB 4.46Å; F326-C330 HydrophobicContact CZ-CB 4.16Å; F326-C330 PolarHBondContact O-N 3.34Å; F326-C330 VanDerWaalsContact O-N 3.12Å; F326-C330 PolarHBondContact O-SG 3.38Å; F326-C330 VanDerWaalsContact O-SG 3.42Å; Q328-C330 VanDerWaalsContact C-N 3.3Å; Q328-C330 PolarHBondContact O-N 3.12Å
331	L	96.6	Very high	94.6	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.037	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-102.9	162.3	-179.8	-51.3	178.7	0	0	0	111.5	E203 Y205 S327 Q328 Q329 M333 S358 D381	E203-L331 HydrophobicContact CB-CB 3.83Å; E203-L331 HydrophobicContact CB-CD1 4.05Å; E203-L331 HydrophobicContact CB-CG 4.49Å; Y205-L331 HydrophobicContact CD2-CD2 4.2Å; S327-L331 WeakPolarHBondContact O-CD1 3.4Å; S327-L331 VanDerWaalsContact O-CG 3.31Å; S327-L331 WeakPolarHBondContact O-CG 3.2Å; Q328-L331 PolarHBondContact O-N 2.88Å; Q328-L331 VanDerWaalsContact O-N 3.13Å; Q329-L331 PolarHBondContact O-N 2.88Å; L331-M333 VanDerWaalsContact C-N 3.32Å; L331-M333 PolarHBondContact O-N 3.5Å; L331-M333 VanDerWaalsContact O-N 3.09Å; L331-S358 VanDerWaalsContact CD1-CB 3.45Å; L331-S358 WeakPolarHBondContact CD1-OG 3.4Å; L331-D381 WeakPolarHBondContact CD1-O 3.24Å
332	R	94.4	Very high	94.5	Very high	137 Å²	137	51.9 Å²	51.9	52%	0.517	28%	0.278	S	S	.	.			trans	-84.8	73.7	178.8	-67.2	179.8	175.4	177.4	-0.9	111.2	Y204 D206 G334 G335	Y204-R332 WeakPolarHBondContact O-CB 3.26Å; Y204-R332 WeakPolarHBondContact O-CG 3.33Å; Y204-R332 PolarHBondContact O-N 3.07Å; D206-R332 HydrophobicContact CB-CG 3.93Å; D206-R332 IonicContact OD1-NE 3.72Å; D206-R332 IonicContact OD1-NH2 3.59Å; R332-G334 PolarHBondContact O-N 2.88Å; R332-G335 PolarHBondContact O-N 2.66Å
333	M	88.4	Confident	94.3	Very high	87 Å²	87	56.4 Å²	56.4	43%	0.429	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	131	174.6	-67.5	-177.7	-77.3	0	0	112.1	E203 I223 L331 G335	E203-M333 VanDerWaalsContact OE2-CA 3.26Å; E203-M333 WeakPolarHBondContact OE2-CA 3.44Å; E203-M333 WeakPolarHBondContact OE2-CG 3.46Å; E203-M333 PolarHBondContact OE2-N 3.46Å; I223-M333 HydrophobicContact CD1-CE 3.74Å; I223-M333 HydrophobicContact CD1-SD 3.95Å; I223-M333 HydrophobicContact CG2-SD 4.26Å; L331-M333 VanDerWaalsContact C-N 3.32Å; L331-M333 PolarHBondContact O-N 3.5Å; L331-M333 VanDerWaalsContact O-N 3.09Å; M333-G335 PolarHBondContact O-N 3.43Å
334	G	83	Confident	94.1	Very high	81 Å²	81	56.9 Å²	56.9	84%	0.835	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	3.7	-178.9	0	0	0	0	0	115.1	R332	R332-G334 PolarHBondContact O-N 2.88Å
335	G	84.4	Confident	94	Very high	41 Å²	41	55.8 Å²	55.8	42%	0.423	31%	0.309	S	S	.	.	S	Bend	trans	-82.6	-178.4	169.1	0	0	0	0	0	113.2	R332 M333	R332-G335 PolarHBondContact O-N 2.66Å; M333-G335 PolarHBondContact O-N 3.43Å
336	E	89.4	Confident	93.8	Very high	166 Å²	166	57.1 Å²	57.1	78%	0.776	31%	0.314	S	S	*	.			trans	-59.2	141.5	168	-174.2	175.6	-169.5	0	0	110.8	Y204	Y204-E336 WeakPolarHBondContact CD2-O 3.36Å
337	R	93.6	Very high	93.4	Very high	55 Å²	55	58.3 Å²	58.3	21%	0.208	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	138	177.1	-70.8	-176.4	176.1	177	-4.1	110.5	A201 L202 E203 K339 K353	A201-R337 HydrophobicContact CB-CB 4.33Å; L202-R337 CarbonylContact O-C 3.59Å; L202-R337 VanDerWaalsContact O-CA 3.31Å; L202-R337 WeakPolarHBondContact O-CA 3.26Å; E203-R337 HydrophobicContact CG-CG 3.74Å; E203-R337 IonicContact OE1-CZ 3.78Å; E203-R337 IonicContact OE1-NE 3.46Å; E203-R337 PolarHBondContact OE1-NE 3.3Å; E203-R337 IonicContact OE1-NH2 3.85Å; E203-R337 PolarHBondContact OE1-NH2 2.88Å; R337-K339 PolarHBondContact O-N 2.64Å; R337-K353 PolarHBondContact NH1-O 2.77Å
338	H	94.6	Very high	92.6	Very high	50 Å²	50	65.1 Å²	65.1	23%	0.231	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	109.3	166.7	-175.9	79.3	0	0	0	108.7	A201 L202 Y204 V383 F393	A201-H338 WeakPolarHBondContact CA-O 3.23Å; L202-H338 PolarHBondContact N-O 3.15Å; L202-H338 PolarHBondContact O-N 2.81Å; Y204-H338 HydrophobicContact CE2-CB 4.28Å; H338-V383 HydrophobicContact CB-CG1 4.25Å; H338-V383 HydrophobicContact CB-CG2 3.81Å; H338-F393 AromaticContact CD2-CE1 3.95Å; H338-F393 AromaticContact NE2-CE1 3.91Å; H338-F393 AromaticContact NE2-CZ 3.78Å
339	K	94.9	Very high	91.6	Very high	166 Å²	166	73.4 Å²	73.4	72%	0.722	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.5	-178.9	-62.1	179.1	-177.4	178.6	0	110.2	A201 R337	A201-K339 HydrophobicContact CB-CG 4.28Å; R337-K339 PolarHBondContact O-N 2.64Å
340	F	95.6	Very high	90.5	Very high	27 Å²	27	80.7 Å²	80.7	12%	0.118	43%	0.431	C	S	.	.			trans	-79.5	169	165.6	-79.8	-83.6	0	0	0	111.1	C198 G200 L202 N342 A360 F393	C198-F340 HydrophobicContact CB-CB 4.39Å; C198-F340 HydrophobicContact CB-CD1 3.39Å; C198-F340 HydrophobicContact CB-CE1 3.85Å; C198-F340 HydrophobicContact CB-CG 4.11Å; G200-F340 PolarHBondContact O-N 3.37Å; L202-F340 HydrophobicContact CD1-CE2 3.83Å; L202-F340 HydrophobicContact CG-CE2 4.27Å; F340-N342 VanDerWaalsContact C-N 3.26Å; F340-N342 PolarHBondContact O-N 2.75Å; F340-A360 HydrophobicContact CD2-CB 3.49Å; F340-A360 VanDerWaalsContact CD2-CB 3.49Å; F340-A360 HydrophobicContact CE2-CB 3.28Å; F340-A360 HydrophobicContact CZ-CB 4.32Å; F340-F393 HydrophobicContact CE1-CE1 4.26Å; F340-F393 HydrophobicContact CE1-CZ 4.39Å; F340-F393 AromaticContact CE2-CE1 3.97Å; F340-F393 HydrophobicContact CE2-CE1 3.97Å; F340-F393 HydrophobicContact CZ-CD1 4.12Å; F340-F393 AromaticContact CZ-CE1 3.38Å; F340-F393 HydrophobicContact CZ-CE1 3.38Å; F340-F393 AromaticContact CZ-CZ 3.94Å; F340-F393 HydrophobicContact CZ-CZ 3.94Å
341	P	95.4	Very high	89.6	Confident	115 Å²	115	83.7 Å²	83.7	75%	0.747	45%	0.445	S	S	*	.	S	Bend	trans	-56.5	-38	179.1	-27.1	36.2	0	0	0	113.7
342	N	95.3	Very high	88.6	Confident	59 Å²	59	87.6 Å²	87.6	32%	0.316	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-105.8	148.7	-178.2	-63.7	-5.8	0	0	0	111.4	E197 C198 C199 G200 F340	E197-N342 VanDerWaalsContact CD-ND2 3.27Å; E197-N342 WeakPolarHBondContact CG-ND2 3.46Å; E197-N342 PolarHBondContact OE1-ND2 2.86Å; C198-N342 PolarHBondContact O-N 2.83Å; C199-N342 CarbonylContact C-O 3.45Å; C199-N342 WeakPolarHBondContact CA-O 3.4Å; C199-N342 HydrophobicContact CB-CB 4.38Å; G200-N342 PolarHBondContact N-O 3.49Å; F340-N342 VanDerWaalsContact C-N 3.26Å; F340-N342 PolarHBondContact O-N 2.75Å
343	P	94	Very high	87.5	Confident	99 Å²	99	86.4 Å²	86.4	64%	0.643	47%	0.465	S	S	*	.			trans	-66.9	175.2	174.7	30.7	-36.1	0	0	0	111.9	C199 G200	C199-P343 VanDerWaalsContact CB-O 3.31Å; C199-P343 WeakPolarHBondContact CB-O 3.42Å; G200-P343 PolarHBondContact N-O 3.17Å
344	N	94.4	Very high	86.8	Confident	22 Å²	22	85.4 Å²	85.4	12%	0.118	47%	0.467	C	S	.	.			trans	-67.8	124.4	170	-177.4	-23.5	0	0	0	108.7	F346 V347	N344-F346 PolarHBondContact O-N 3.34Å; N344-F346 VanDerWaalsContact OD1-CD2 3.26Å; N344-F346 WeakPolarHBondContact OD1-CD2 3.41Å; N344-F346 PolarHBondContact OD1-N 3.36Å; N344-V347 HydrophobicContact CB-CB 4.38Å; N344-V347 HydrophobicContact CB-CG2 3.92Å
345	P	94.4	Very high	86.9	Confident	38 Å²	38	87 Å²	87	25%	0.247	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.2	-174	32.7	-37.5	0	0	0	114.3	P236 V237	P236-P345 HydrophobicContact CG-CB 4.22Å; V237-P345 HydrophobicContact CG2-CB 3.68Å; V237-P345 HydrophobicContact CG2-CG 3.95Å
346	F	94.1	Very high	87.2	Confident	32 Å²	32	85.3 Å²	85.3	14%	0.14	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	14.4	-178.7	-46	-61.2	0	0	0	113	H228 V230 D235 N344 Y361	H228-F346 HydrophobicContact CB-CB 4.17Å; H228-F346 HydrophobicContact CB-CD2 4.15Å; H228-F346 HydrophobicContact CB-CG 4.33Å; H228-F346 PolarHBondContact NE2-O 3.29Å; V230-F346 HydrophobicContact CB-CD1 4.13Å; V230-F346 HydrophobicContact CB-CE1 3.96Å; V230-F346 HydrophobicContact CB-CZ 4.43Å; V230-F346 HydrophobicContact CG1-CD1 4.16Å; V230-F346 HydrophobicContact CG1-CE1 3.86Å; V230-F346 HydrophobicContact CG2-CD1 3.73Å; V230-F346 HydrophobicContact CG2-CE1 4.1Å; V230-F346 HydrophobicContact CG2-CG 4.07Å; D235-F346 HydrophobicContact CB-CE1 4.27Å; D235-F346 WeakPolarHBondContact OD2-CZ 3.5Å; N344-F346 PolarHBondContact O-N 3.34Å; N344-F346 VanDerWaalsContact OD1-CD2 3.26Å; N344-F346 WeakPolarHBondContact OD1-CD2 3.41Å; N344-F346 PolarHBondContact OD1-N 3.36Å; F346-Y361 HydrophobicContact CD2-CD2 4.35Å; F346-Y361 HydrophobicContact CD2-CE1 4.44Å; F346-Y361 AromaticContact CD2-CE2 3.67Å; F346-Y361 HydrophobicContact CD2-CE2 3.67Å; F346-Y361 AromaticContact CD2-CZ 3.72Å; F346-Y361 HydrophobicContact CE2-CD1 4.09Å; F346-Y361 AromaticContact CE2-CD2 3.88Å; F346-Y361 HydrophobicContact CE2-CD2 3.88Å; F346-Y361 AromaticContact CE2-CE1 3.75Å; F346-Y361 HydrophobicContact CE2-CE1 3.75Å; F346-Y361 AromaticContact CE2-CE2 3.53Å; F346-Y361 HydrophobicContact CE2-CE2 3.53Å; F346-Y361 HydrophobicContact CE2-CG 4.15Å; F346-Y361 AromaticContact CE2-CZ 3.46Å; F346-Y361 VanDerWaalsContact CE2-CZ 3.46Å
347	V	89.4	Confident	87.5	Confident	25 Å²	25	77.7 Å²	77.7	15%	0.152	40%	0.399	C	S	.	.	S	Bend	trans	-131.3	117.2	-170.4	-179.8	0	0	0	0	108.7	N344 M351 V356	N344-V347 HydrophobicContact CB-CB 4.38Å; N344-V347 HydrophobicContact CB-CG2 3.92Å; V347-M351 HydrophobicContact CG1-CB 3.94Å; V347-M351 HydrophobicContact CG1-CG 4.28Å; V347-M351 HydrophobicContact CG1-SD 3.95Å; V347-V356 HydrophobicContact CG1-CG2 4Å; V347-V356 HydrophobicContact CG2-CG1 4.07Å; V347-V356 HydrophobicContact CG2-CG2 3.75Å
348	E	82.6	Confident	87.6	Confident	148 Å²	148	75.1 Å²	75.1	69%	0.692	39%	0.39	S	S	*	.			trans	-61.8	155.2	174.4	-64.4	177.8	175.4	0	0	111.7	D350 M351	E348-D350 PolarHBondContact O-N 3.49Å; E348-M351 PolarHBondContact O-N 3Å
349	E	74	Confident	87.7	Confident	175 Å²	175	73.5 Å²	73.5	82%	0.818	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.6	-173.5	-60.8	-154.8	146.2	0	0	113.2
350	D	75.1	Confident	87.8	Confident	164 Å²	164	65.6 Å²	65.6	88%	0.877	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-13.6	-178.3	-68.1	-28.3	0	0	0	114.2	E348	E348-D350 PolarHBondContact O-N 3.49Å
351	M	78	Confident	87.9	Confident	63 Å²	63	64.5 Å²	64.5	31%	0.31	34%	0.344	S	S	.	.	S	Bend	trans	-71.6	136.8	178.2	-174	-177.3	-67.9	0	0	110.7	I226 V347 E348 K353 V356	I226-M351 HydrophobicContact CD1-CE 4.35Å; I226-M351 HydrophobicContact CD1-SD 3.68Å; V347-M351 HydrophobicContact CG1-CB 3.94Å; V347-M351 HydrophobicContact CG1-CG 4.28Å; V347-M351 HydrophobicContact CG1-SD 3.95Å; E348-M351 PolarHBondContact O-N 3Å; M351-K353 PolarHBondContact O-N 3.38Å; M351-V356 HydrophobicContact SD-CG2 4.07Å
352	D	75.2	Confident	88	Confident	89 Å²	89	60.6 Å²	60.6	48%	0.476	31%	0.314	S	S	.	.			trans	-65.7	107.6	175	-174.6	6.5	0	0	0	110.9	S354 E355	D352-S354 VanDerWaalsContact CG-OG 3.22Å; D352-S354 PolarHBondContact O-N 2.95Å; D352-S354 WeakPolarHBondContact OD1-CB 3.42Å; D352-S354 PolarHBondContact OD1-N 2.85Å; D352-S354 PolarHBondContact OD1-OG 2.97Å; D352-S354 WeakPolarHBondContact OD2-CB 2.96Å; D352-S354 PolarHBondContact OD2-OG 2.86Å; D352-E355 HydrophobicContact CB-CG 4.35Å; D352-E355 PolarHBondContact O-N 2.77Å
353	K	72.4	Confident	88.2	Confident	113 Å²	113	57.8 Å²	57.8	49%	0.491	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.2	176.7	-60.6	169	-169.7	170.5	0	111.8	R337 M351	R337-K353 PolarHBondContact NH1-O 2.77Å; M351-K353 PolarHBondContact O-N 3.38Å
354	S	74	Confident	88.3	Confident	66 Å²	66	54.5 Å²	54.5	46%	0.462	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.2	169.8	103.1	0	0	0	0	114.3	R225 D352	R225-S354 VanDerWaalsContact CZ-O 3.24Å; R225-S354 PolarHBondContact NH1-O 2.93Å; D352-S354 VanDerWaalsContact CG-OG 3.22Å; D352-S354 PolarHBondContact O-N 2.95Å; D352-S354 WeakPolarHBondContact OD1-CB 3.42Å; D352-S354 PolarHBondContact OD1-N 2.85Å; D352-S354 PolarHBondContact OD1-OG 2.97Å; D352-S354 WeakPolarHBondContact OD2-CB 2.96Å; D352-S354 PolarHBondContact OD2-OG 2.86Å
355	E	84.5	Confident	88.5	Confident	113 Å²	113	54.9 Å²	54.9	53%	0.528	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-23.1	176.3	-61.6	-158.2	151.5	0	0	113.5	R225 I226 D352	R225-E355 CarbonylContact C-O 3.59Å; R225-E355 WeakPolarHBondContact CA-O 3.36Å; R225-E355 WeakPolarHBondContact CD-O 3.49Å; I226-E355 HydrophobicContact CD1-CB 4.47Å; I226-E355 PolarHBondContact N-O 2.95Å; D352-E355 HydrophobicContact CB-CG 4.35Å; D352-E355 PolarHBondContact O-N 2.77Å
356	V	91	Very high	88.6	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.042	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-68	142.4	177	-173.5	0	0	0	0	110.7	R225 V347 M351	R225-V356 PolarHBondContact NH1-O 3.45Å; V347-V356 HydrophobicContact CG1-CG2 4Å; V347-V356 HydrophobicContact CG2-CG1 4.07Å; V347-V356 HydrophobicContact CG2-CG2 3.75Å; M351-V356 HydrophobicContact SD-CG2 4.07Å
357	A	94.2	Very high	88.6	Confident	6 Å²	6	57.2 Å²	57.2	5%	0.05	28%	0.281	C	S	.	.			trans	-60.5	151.3	173.5	0	0	0	0	0	112.2	R225 I226 F227 V359	R225-A357 HydrophobicContact CB-CB 4.12Å; I226-A357 WeakPolarHBondContact O-CB 3.47Å; I226-A357 PolarHBondContact O-N 3.27Å; F227-A357 HydrophobicContact CD1-CB 3.84Å; F227-A357 HydrophobicContact CE1-CB 3.71Å; F227-A357 HydrophobicContact CG-CB 4.33Å; F227-A357 HydrophobicContact CZ-CB 4.11Å; A357-V359 PolarHBondContact O-N 3.2Å; A357-V359 VanDerWaalsContact O-N 3.1Å
358	S	96	Very high	88.8	Confident	1 Å²	1	56 Å²	56	1%	0.007	27%	0.274	C	S	.	.	S	Bend	trans	-64.3	107.7	164.2	171.7	0	0	0	0	108.7	E203 L331 D381	E203-S358 PolarHBondContact N-OG 2.73Å; L331-S358 VanDerWaalsContact CD1-CB 3.45Å; L331-S358 WeakPolarHBondContact CD1-OG 3.4Å; S358-D381 PolarHBondContact OG-O 2.57Å
359	V	96.9	Very high	89.1	Confident	16 Å²	16	50.4 Å²	50.4	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	146.7	176.4	65.2	0	0	0	0	109.4	A201 A357 Y361 H380	A201-V359 PolarHBondContact N-O 3.32Å; A201-V359 PolarHBondContact O-N 3.18Å; A357-V359 PolarHBondContact O-N 3.2Å; A357-V359 VanDerWaalsContact O-N 3.1Å; V359-Y361 HydrophobicContact CG1-CE2 3.81Å; V359-Y361 HydrophobicContact CG2-CE1 4.03Å; V359-Y361 HydrophobicContact CG2-CE2 4.22Å; V359-H380 WeakPolarHBondContact CA-O 3.48Å
360	A	97.3	Very high	89.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.6	168.3	0	0	0	0	0	110.4	C199 L202 F340 E379 H380	C199-A360 CarbonylContact O-C 3.52Å; C199-A360 VanDerWaalsContact O-CA 3.23Å; C199-A360 WeakPolarHBondContact O-CA 3.43Å; C199-A360 WeakPolarHBondContact O-CB 3.28Å; L202-A360 HydrophobicContact CD1-CB 3.95Å; L202-A360 HydrophobicContact CD2-CB 3.65Å; L202-A360 HydrophobicContact CG-CB 3.68Å; F340-A360 HydrophobicContact CD2-CB 3.49Å; F340-A360 VanDerWaalsContact CD2-CB 3.49Å; F340-A360 HydrophobicContact CE2-CB 3.28Å; F340-A360 HydrophobicContact CZ-CB 4.32Å; A360-E379 WeakPolarHBondContact O-CA 3.34Å; A360-H380 PolarHBondContact N-O 3.25Å; A360-H380 VanDerWaalsContact N-O 3.09Å; A360-H380 PolarHBondContact O-N 3.44Å
361	Y	98.2	Very high	90.1	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.3	-177	-55.2	-81	0	0	0	108.8	C198 C199 F346 V359 R377 C378 E379	C198-Y361 WeakPolarHBondContact CA-O 3.11Å; C199-Y361 PolarHBondContact N-O 2.9Å; C199-Y361 PolarHBondContact O-N 3.23Å; F346-Y361 HydrophobicContact CD2-CD2 4.35Å; F346-Y361 HydrophobicContact CD2-CE1 4.44Å; F346-Y361 AromaticContact CD2-CE2 3.67Å; F346-Y361 HydrophobicContact CD2-CE2 3.67Å; F346-Y361 AromaticContact CD2-CZ 3.72Å; F346-Y361 HydrophobicContact CE2-CD1 4.09Å; F346-Y361 AromaticContact CE2-CD2 3.88Å; F346-Y361 HydrophobicContact CE2-CD2 3.88Å; F346-Y361 AromaticContact CE2-CE1 3.75Å; F346-Y361 HydrophobicContact CE2-CE1 3.75Å; F346-Y361 AromaticContact CE2-CE2 3.53Å; F346-Y361 HydrophobicContact CE2-CE2 3.53Å; F346-Y361 HydrophobicContact CE2-CG 4.15Å; F346-Y361 AromaticContact CE2-CZ 3.46Å; F346-Y361 VanDerWaalsContact CE2-CZ 3.46Å; V359-Y361 HydrophobicContact CG1-CE2 3.81Å; V359-Y361 HydrophobicContact CG2-CE1 4.03Å; V359-Y361 HydrophobicContact CG2-CE2 4.22Å; Y361-R377 HydrophobicContact CD1-CG 3.9Å; Y361-R377 HydrophobicContact CG-CG 4.41Å; Y361-C378 CarbonylContact C-O 3.57Å; Y361-C378 WeakPolarHBondContact CA-O 3.29Å; Y361-E379 HydrophobicContact CD1-CG 3.74Å; Y361-E379 HydrophobicContact CE1-CG 3.84Å; Y361-E379 WeakPolarHBondContact CE1-OE1 3.42Å
362	R	97.8	Very high	91	Very high	34 Å²	34	44.2 Å²	44.2	13%	0.128	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.4	167.2	-60.4	-161.8	-163.8	-132.2	-1.8	109.3	D195 R364 C378 H380	D195-R362 WeakPolarHBondContact OD2-CD 3.31Å; D195-R362 IonicContact OD2-CZ 3.22Å; D195-R362 IonicContact OD2-NE 2.87Å; D195-R362 IonicContact OD2-NH1 2.71Å; D195-R362 PolarHBondContact OD2-NH1 3.32Å; R362-R364 HydrophobicContact CB-CG 3.76Å; R362-C378 PolarHBondContact N-O 2.9Å; R362-C378 PolarHBondContact O-N 3.2Å; R362-H380 PolarHBondContact NE-CD2 3.25Å; R362-H380 PolarHBondContact NE-NE2 3.32Å; R362-H380 PolarHBondContact NH2-NE2 2.71Å
363	Y	98.2	Very high	92	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.8	171.1	-61.3	-88.5	0	0	0	107.3	I196 E197 D235 V237 I238 L241 V376 R377	I196-Y363 WeakPolarHBondContact CB-O 3.48Å; I196-Y363 PolarHBondContact N-O 3.43Å; E197-Y363 HydrophobicContact CB-CD2 4.11Å; E197-Y363 PolarHBondContact N-O 3.07Å; E197-Y363 PolarHBondContact O-N 3.42Å; D235-Y363 PolarHBondContact OD1-OH 3.09Å; D235-Y363 WeakPolarHBondContact OD2-CE1 3.47Å; D235-Y363 PolarHBondContact OD2-OH 3.16Å; V237-Y363 HydrophobicContact CB-CD1 4.38Å; V237-Y363 HydrophobicContact CB-CD2 4.41Å; V237-Y363 HydrophobicContact CB-CE1 3.82Å; V237-Y363 HydrophobicContact CB-CE2 3.87Å; V237-Y363 HydrophobicContact CG1-CD1 4.03Å; V237-Y363 HydrophobicContact CG1-CD2 3.74Å; V237-Y363 HydrophobicContact CG1-CE1 3.96Å; V237-Y363 HydrophobicContact CG1-CE2 3.68Å; V237-Y363 HydrophobicContact CG1-CG 3.92Å; V237-Y363 HydrophobicContact CG2-CE2 4Å; I238-Y363 HydrophobicContact CD1-CE1 4.36Å; I238-Y363 HydrophobicContact CG1-CD1 4.09Å; I238-Y363 HydrophobicContact CG1-CE1 3.77Å; L241-Y363 HydrophobicContact CD1-CD1 4.16Å; L241-Y363 HydrophobicContact CD1-CG 4.17Å; Y363-V376 WeakPolarHBondContact CA-O 3.31Å; Y363-R377 HydrophobicContact CD1-CB 4.05Å; Y363-R377 HydrophobicContact CD1-CG 4.26Å; Y363-R377 HydrophobicContact CE1-CB 3.75Å; Y363-R377 HydrophobicContact CE1-CG 3.67Å; Y363-R377 WeakPolarHBondContact OH-CD 3.39Å
364	R	97.8	Very high	93.2	Very high	30 Å²	30	36.7 Å²	36.7	11%	0.113	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.5	-169.8	-50.4	-172.3	85.4	-163.9	7.6	110.2	P193 V194 D195 R362 W366 I375 V376 L444	P193-R364 HydrophobicContact CB-CB 4.28Å; P193-R364 VanDerWaalsContact CG-CZ 3.48Å; V194-R364 WeakPolarHBondContact O-CA 3.38Å; D195-R364 IonicContact OD1-CZ 2.66Å; D195-R364 VanDerWaalsContact OD1-CZ 3.27Å; D195-R364 IonicContact OD1-NE 3.67Å; D195-R364 PolarHBondContact OD1-NE 3.27Å; D195-R364 IonicContact OD1-NH2 3.74Å; D195-R364 PolarHBondContact OD1-NH2 3.37Å; R362-R364 HydrophobicContact CB-CG 3.76Å; R364-W366 HydrophobicContact CB-CE3 4.23Å; R364-W366 HydrophobicContact CB-CH2 3.63Å; R364-W366 HydrophobicContact CB-CZ3 3.42Å; R364-W366 VanDerWaalsContact CB-CZ3 3.42Å; R364-W366 HydrophobicContact CG-CH2 4.37Å; R364-W366 WeakPolarHBondContact O-CZ3 3.22Å; R364-I375 WeakPolarHBondContact O-CA 3.23Å; R364-V376 PolarHBondContact N-O 3.27Å; R364-V376 PolarHBondContact O-N 2.92Å; R364-L444 WeakPolarHBondContact CD-O 3.46Å; R364-L444 PolarHBondContact NH1-O 2.88Å
365	H	97.3	Very high	94.3	Very high	29 Å²	29	33.5 Å²	33.5	13%	0.134	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.4	-178.7	173.7	-131.9	0	0	0	111.1	P193 V194 I196 D373 L374	P193-H365 CarbonylContact C-O 3.1Å; P193-H365 VanDerWaalsContact CA-O 3.22Å; P193-H365 WeakPolarHBondContact CA-O 3.33Å; V194-H365 PolarHBondContact N-O 3.5Å; V194-H365 PolarHBondContact O-N 2.93Å; I196-H365 HydrophobicContact CD1-CB 3.79Å; I196-H365 HydrophobicContact CG1-CB 4.05Å; H365-D373 IonicContact CE1-OD1 3.32Å; H365-D373 PolarHBondContact CE1-OD1 3Å; H365-D373 IonicContact NE2-OD1 2.96Å; H365-D373 PolarHBondContact NE2-OD1 3.45Å; H365-L374 CarbonylContact C-O 3.59Å; H365-L374 WeakPolarHBondContact CA-O 3.43Å
366	W	97.2	Very high	95	Very high	9 Å²	9	28.1 Å²	28.1	3%	0.034	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.7	168.9	-72.7	-97.8	0	0	0	110	P193 R364 L374 V376 L444 W491	P193-W366 HydrophobicContact CB-CD2 3.84Å; P193-W366 VanDerWaalsContact CB-CE2 3.48Å; P193-W366 HydrophobicContact CB-CE3 4.33Å; P193-W366 HydrophobicContact CB-CG 4.28Å; P193-W366 HydrophobicContact CB-CH2 4.22Å; P193-W366 HydrophobicContact CB-CZ2 3.7Å; P193-W366 HydrophobicContact CB-CZ3 4.5Å; P193-W366 HydrophobicContact CG-CZ2 3.75Å; R364-W366 HydrophobicContact CB-CE3 4.23Å; R364-W366 HydrophobicContact CB-CH2 3.63Å; R364-W366 HydrophobicContact CB-CZ3 3.42Å; R364-W366 VanDerWaalsContact CB-CZ3 3.42Å; R364-W366 HydrophobicContact CG-CH2 4.37Å; R364-W366 WeakPolarHBondContact O-CZ3 3.22Å; W366-L374 HydrophobicContact CB-CB 4.4Å; W366-L374 PolarHBondContact N-O 3.49Å; W366-L374 PolarHBondContact O-N 2.83Å; W366-V376 HydrophobicContact CE3-CB 4.44Å; W366-V376 HydrophobicContact CE3-CG2 3.74Å; W366-V376 HydrophobicContact CH2-CB 4.43Å; W366-V376 HydrophobicContact CH2-CG2 4.35Å; W366-V376 HydrophobicContact CZ3-CB 3.67Å; W366-V376 HydrophobicContact CZ3-CG2 3.42Å; W366-V376 VanDerWaalsContact CZ3-CG2 3.42Å; W366-L444 HydrophobicContact CH2-CB 4.35Å; W366-L444 HydrophobicContact CH2-CD2 4.22Å; W366-L444 WeakPolarHBondContact CH2-O 3.26Å; W366-L444 HydrophobicContact CZ2-CD2 4.01Å; W366-L444 WeakPolarHBondContact CZ2-O 3.47Å; W366-W491 AromaticContact CD1-CH2 3.99Å; W366-W491 HydrophobicContact CD2-CH2 4.14Å; W366-W491 HydrophobicContact CG-CH2 4.06Å; W366-W491 AromaticContact NE1-CH2 3.99Å; W366-W491 AromaticContact NE1-CZ2 3.84Å
367	K	94.8	Very high	95.3	Very high	111 Å²	111	28 Å²	28	48%	0.483	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.5	162.5	-67.1	-164.5	167.7	-164	0	109.6	S191 D373	S191-K367 PolarHBondContact OG-N 2.97Å; K367-D373 WeakPolarHBondContact CE-OD1 3.38Å
368	L	93.4	Very high	95.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	79	173	-56.8	178.7	0	0	0	107.3	Y187 V190 I372 L374 W491 R495 I498	Y187-L368 HydrophobicContact CD1-CD2 4.43Å; Y187-L368 HydrophobicContact CE1-CB 4.13Å; Y187-L368 HydrophobicContact CE1-CD2 3.95Å; V190-L368 HydrophobicContact CB-CD2 4.33Å; V190-L368 HydrophobicContact CG1-CD2 3.97Å; V190-L368 HydrophobicContact CG2-CD2 3.85Å; L368-I372 HydrophobicContact CB-CB 4.02Å; L368-I372 HydrophobicContact CB-CG2 4.04Å; L368-I372 HydrophobicContact CD1-CG2 4.14Å; L368-I372 HydrophobicContact CG-CG2 4.4Å; L368-I372 PolarHBondContact N-O 3.07Å; L368-L374 HydrophobicContact CD1-CB 4.27Å; L368-L374 HydrophobicContact CD1-CD2 3.97Å; L368-W491 HydrophobicContact CD1-CE3 4.2Å; L368-W491 HydrophobicContact CD1-CZ3 4.07Å; L368-W491 HydrophobicContact CD2-CE3 3.84Å; L368-W491 HydrophobicContact CD2-CZ3 3.9Å; L368-R495 PolarHBondContact O-NH1 3.29Å; L368-I498 HydrophobicContact CD1-CD1 4.42Å
369	G	87.5	Confident	95.6	Very high	29 Å²	29	29.6 Å²	29.6	30%	0.299	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-157	-171.6	0	0	0	0	0	112.3	Y187	Y187-G369 WeakPolarHBondContact OH-CA 3.47Å; Y187-G369 PolarHBondContact OH-N 2.66Å
370	E	82.6	Confident	95.7	Very high	202 Å²	202	28.9 Å²	28.9	94%	0.944	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-22.2	-176.8	-61.5	-172.2	162.5	0	0	113.6
371	D	88.9	Confident	95.7	Very high	70 Å²	70	29.5 Å²	29.5	37%	0.374	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-23.7	-168.1	73.7	-60.5	0	0	0	114.8	N247 R495 R502	N247-D371 PolarHBondContact ND2-O 3.07Å; D371-R495 IonicContact OD1-CZ 2.81Å; D371-R495 IonicContact OD1-NH1 3.51Å; D371-R495 IonicContact OD1-NH2 3.77Å; D371-R495 PolarHBondContact OD1-NH2 2.93Å; D371-R495 IonicContact OD2-NH2 2.73Å; D371-R495 PolarHBondContact OD2-NH2 2.87Å; D371-R502 VanDerWaalsContact C-NH1 3.34Å; D371-R502 PolarHBondContact O-NH1 3.24Å; D371-R502 PolarHBondContact O-NH2 3.09Å; D371-R502 IonicContact OD2-NH1 2.62Å; D371-R502 PolarHBondContact OD2-NH1 3.41Å
372	I	95.1	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.6	-175.5	-62.5	165.4	0	0	0	110.8	N247 V248 L368 L374 I498	N247-I372 WeakPolarHBondContact OD1-CA 3.39Å; V248-I372 HydrophobicContact CG2-CG2 3.94Å; L368-I372 HydrophobicContact CB-CB 4.02Å; L368-I372 HydrophobicContact CB-CG2 4.04Å; L368-I372 HydrophobicContact CD1-CG2 4.14Å; L368-I372 HydrophobicContact CG-CG2 4.4Å; L368-I372 PolarHBondContact N-O 3.07Å; I372-L374 HydrophobicContact CG2-CB 4.42Å; I372-I498 HydrophobicContact CD1-CB 4.29Å; I372-I498 HydrophobicContact CD1-CG2 3.58Å; I372-I498 HydrophobicContact CG1-CG2 4.07Å; I372-I498 HydrophobicContact CG2-CD1 4.43Å
373	D	96.3	Very high	95.6	Very high	44 Å²	44	27.7 Å²	27.7	24%	0.235	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	98	169.5	-74.4	-59.3	0	0	0	108	N247 V248 H365 K367	N247-D373 PolarHBondContact N-O 3.38Å; N247-D373 PolarHBondContact ND2-N 3.2Å; N247-D373 PolarHBondContact OD1-N 3.15Å; N247-D373 PolarHBondContact OD1-O 3.19Å; V248-D373 PolarHBondContact N-O 3.2Å; V248-D373 VanDerWaalsContact N-O 3.1Å; H365-D373 IonicContact CE1-OD1 3.32Å; H365-D373 PolarHBondContact CE1-OD1 3Å; H365-D373 IonicContact NE2-OD1 2.96Å; H365-D373 PolarHBondContact NE2-OD1 3.45Å; K367-D373 WeakPolarHBondContact CE-OD1 3.38Å
374	L	97.8	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.1	-178.5	174.8	67	0	0	0	110	V248 L255 H365 W366 L368 I372 V376 W491 L494	V248-L374 HydrophobicContact CB-CD1 3.84Å; V248-L374 HydrophobicContact CG1-CD1 3.56Å; L255-L374 HydrophobicContact CD1-CD1 4.26Å; L255-L374 HydrophobicContact CD1-CD2 4.03Å; H365-L374 CarbonylContact C-O 3.59Å; H365-L374 WeakPolarHBondContact CA-O 3.43Å; W366-L374 HydrophobicContact CB-CB 4.4Å; W366-L374 PolarHBondContact N-O 3.49Å; W366-L374 PolarHBondContact O-N 2.83Å; L368-L374 HydrophobicContact CD1-CB 4.27Å; L368-L374 HydrophobicContact CD1-CD2 3.97Å; I372-L374 HydrophobicContact CG2-CB 4.42Å; L374-V376 HydrophobicContact CD1-CG2 4.1Å; L374-V376 HydrophobicContact CD2-CG2 3.92Å; L374-V376 HydrophobicContact CG-CG2 3.71Å; L374-W491 HydrophobicContact CD2-CH2 4.14Å; L374-W491 HydrophobicContact CD2-CZ3 3.67Å; L374-L494 HydrophobicContact CD2-CD2 3.99Å
375	I	98.3	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.5	172	-63.9	-176.4	0	0	0	108.7	I196 L241 Q245 V248 F249 A250 R364	I196-I375 HydrophobicContact CD1-CD1 3.82Å; I196-I375 HydrophobicContact CD1-CG1 4.11Å; I196-I375 HydrophobicContact CD1-CG2 4.25Å; L241-I375 HydrophobicContact CD1-CG2 4.07Å; Q245-I375 HydrophobicContact CG-CD1 3.99Å; V248-I375 PolarHBondContact O-N 3.08Å; F249-I375 WeakPolarHBondContact CA-O 3.46Å; F249-I375 HydrophobicContact CD1-CB 3.97Å; F249-I375 HydrophobicContact CD1-CG2 4.36Å; F249-I375 HydrophobicContact CE1-CB 4.22Å; F249-I375 HydrophobicContact CE1-CD1 3.97Å; F249-I375 HydrophobicContact CE1-CG1 4.46Å; A250-I375 PolarHBondContact N-O 3.22Å; R364-I375 WeakPolarHBondContact O-CA 3.23Å
376	V	98.4	Very high	94.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.8	-178.8	-160.7	0	0	0	0	110.1	A250 D252 L255 Y363 R364 W366 L374	A250-V376 VanDerWaalsContact O-CA 3.31Å; A250-V376 WeakPolarHBondContact O-CA 3.41Å; D252-V376 HydrophobicContact CB-CG1 4.27Å; L255-V376 HydrophobicContact CD1-CB 4.22Å; L255-V376 HydrophobicContact CD1-CG1 3.69Å; L255-V376 HydrophobicContact CD1-CG2 3.41Å; L255-V376 VanDerWaalsContact CD1-CG2 3.41Å; L255-V376 HydrophobicContact CG-CG1 4.3Å; Y363-V376 WeakPolarHBondContact CA-O 3.31Å; R364-V376 PolarHBondContact N-O 3.27Å; R364-V376 PolarHBondContact O-N 2.92Å; W366-V376 HydrophobicContact CE3-CB 4.44Å; W366-V376 HydrophobicContact CE3-CG2 3.74Å; W366-V376 HydrophobicContact CH2-CB 4.43Å; W366-V376 HydrophobicContact CH2-CG2 4.35Å; W366-V376 HydrophobicContact CZ3-CB 3.67Å; W366-V376 HydrophobicContact CZ3-CG2 3.42Å; W366-V376 VanDerWaalsContact CZ3-CG2 3.42Å; L374-V376 HydrophobicContact CD1-CG2 4.1Å; L374-V376 HydrophobicContact CD2-CG2 3.92Å; L374-V376 HydrophobicContact CG-CG2 3.71Å
377	R	98.5	Very high	93.5	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	115.4	161.1	-173.1	179.8	85.9	-142.1	2.2	109	V230 T231 D235 I238 A250 D252 Y361 Y363 E379	V230-R377 PolarHBondContact O-NH1 3.21Å; V230-R377 PolarHBondContact O-NH2 3.34Å; T231-R377 PolarHBondContact O-NH1 2.96Å; D235-R377 WeakPolarHBondContact OD2-CD 3.44Å; D235-R377 IonicContact OD2-CZ 3.64Å; D235-R377 IonicContact OD2-NE 3.94Å; D235-R377 IonicContact OD2-NH1 2.7Å; D235-R377 PolarHBondContact OD2-NH1 3.05Å; I238-R377 HydrophobicContact CD1-CB 4.31Å; A250-R377 PolarHBondContact O-N 2.97Å; D252-R377 WeakPolarHBondContact CB-O 3.39Å; D252-R377 PolarHBondContact N-O 2.95Å; Y361-R377 HydrophobicContact CD1-CG 3.9Å; Y361-R377 HydrophobicContact CG-CG 4.41Å; Y363-R377 HydrophobicContact CD1-CB 4.05Å; Y363-R377 HydrophobicContact CD1-CG 4.26Å; Y363-R377 HydrophobicContact CE1-CB 3.75Å; Y363-R377 HydrophobicContact CE1-CG 3.67Å; Y363-R377 WeakPolarHBondContact OH-CD 3.39Å; R377-E379 IonicContact NE-OE1 2.94Å; R377-E379 IonicContact NH2-OE1 2.7Å
378	C	98.3	Very high	93	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.1	177.2	-54.5	0	0	0	0	111.5	D252 Y361 R362 A445	D252-C378 HydrophobicContact CB-CB 4.43Å; D252-C378 WeakPolarHBondContact OD2-CA 3.49Å; Y361-C378 CarbonylContact C-O 3.57Å; Y361-C378 WeakPolarHBondContact CA-O 3.29Å; R362-C378 PolarHBondContact N-O 2.9Å; R362-C378 PolarHBondContact O-N 3.2Å; C378-A445 HydrophobicContact CB-CB 3.85Å
379	E	97.6	Very high	92.6	Very high	41 Å²	41	38 Å²	38	19%	0.192	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	-170.3	-63	-179.5	-175.5	0	0	113.7	D252 A360 Y361 R377 N395	D252-E379 PolarHBondContact OD2-N 3.29Å; A360-E379 WeakPolarHBondContact O-CA 3.34Å; Y361-E379 HydrophobicContact CD1-CG 3.74Å; Y361-E379 HydrophobicContact CE1-CG 3.84Å; Y361-E379 WeakPolarHBondContact CE1-OE1 3.42Å; R377-E379 IonicContact NE-OE1 2.94Å; R377-E379 IonicContact NH2-OE1 2.7Å; E379-N395 PolarHBondContact O-ND2 2.84Å
380	H	98.2	Very high	92.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.6	163.9	-61.9	-57.1	0	0	0	110.2	L202 V359 A360 R362 F393 A445 S447	L202-H380 HydrophobicContact CD1-CB 3.89Å; L202-H380 HydrophobicContact CD2-CB 4.32Å; L202-H380 WeakPolarHBondContact CD2-O 3.48Å; V359-H380 WeakPolarHBondContact CA-O 3.48Å; A360-H380 PolarHBondContact N-O 3.25Å; A360-H380 VanDerWaalsContact N-O 3.09Å; A360-H380 PolarHBondContact O-N 3.44Å; R362-H380 PolarHBondContact NE-CD2 3.25Å; R362-H380 PolarHBondContact NE-NE2 3.32Å; R362-H380 PolarHBondContact NH2-NE2 2.71Å; H380-F393 AromaticContact CD2-CD1 3.86Å; H380-F393 AromaticContact NE2-CG 3.93Å; H380-A445 PolarHBondContact CE1-O 3.01Å; H380-S447 PolarHBondContact CE1-OG 3.4Å; H380-S447 VanDerWaalsContact CE1-OG 3.29Å; H380-S447 PolarHBondContact ND1-OG 2.9Å
381	D	97.6	Very high	93.2	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.07	22%	0.221	C	C	.	.			trans	-94.2	-25.1	-178.1	-55	-93.7	0	0	0	112	L331 S358 I394 N395 V396 K397	L331-D381 WeakPolarHBondContact CD1-O 3.24Å; S358-D381 PolarHBondContact OG-O 2.57Å; D381-I394 PolarHBondContact N-O 2.87Å; D381-N395 WeakPolarHBondContact OD2-CA 3.32Å; D381-N395 WeakPolarHBondContact OD2-CB 3.43Å; D381-N395 PolarHBondContact OD2-ND2 2.96Å; D381-V396 HydrophobicContact CB-CB 3.99Å; D381-V396 HydrophobicContact CB-CG2 4.07Å; D381-V396 PolarHBondContact OD2-N 2.91Å; D381-K397 IonicContact OD1-NZ 3.6Å; D381-K397 PolarHBondContact OD1-NZ 3.42Å; D381-K397 IonicContact OD2-NZ 2.89Å; D381-K397 PolarHBondContact OD2-NZ 3.47Å
382	G	97	Very high	93.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	-176	179	0	0	0	0	0	114.7	I394	G382-I394 PolarHBondContact N-O 2.73Å; G382-I394 WeakPolarHBondContact O-CG1 3.33Å; G382-I394 PolarHBondContact O-N 3.02Å
383	V	97.1	Very high	93.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.4	172.8	-71.5	0	0	0	0	112.6	L202 E203 Y204 Y205 H338 V391 S392 F393	L202-V383 HydrophobicContact CB-CG1 3.95Å; L202-V383 HydrophobicContact CB-CG2 4.2Å; L202-V383 HydrophobicContact CD1-CG1 3.61Å; L202-V383 HydrophobicContact CG-CG1 4.42Å; E203-V383 PolarHBondContact O-N 3.03Å; Y204-V383 CarbonylContact C-O 3.57Å; Y204-V383 WeakPolarHBondContact CA-O 3.46Å; Y204-V383 HydrophobicContact CD1-CG2 3.71Å; Y204-V383 HydrophobicContact CD2-CG2 4.12Å; Y204-V383 HydrophobicContact CE1-CG2 3.76Å; Y204-V383 HydrophobicContact CE2-CG2 4.18Å; Y204-V383 HydrophobicContact CG-CG2 3.89Å; Y205-V383 WeakPolarHBondContact CB-O 3.36Å; Y205-V383 PolarHBondContact N-O 3.06Å; H338-V383 HydrophobicContact CB-CG1 4.25Å; H338-V383 HydrophobicContact CB-CG2 3.81Å; V383-V391 HydrophobicContact CB-CG1 3.76Å; V383-V391 HydrophobicContact CG1-CG1 3.69Å; V383-V391 HydrophobicContact CG2-CG1 4.46Å; V383-S392 CarbonylContact C-O 3.55Å; V383-S392 WeakPolarHBondContact CA-O 3.35Å; V383-F393 HydrophobicContact CG1-CD1 3.71Å; V383-F393 HydrophobicContact CG1-CE1 3.79Å
384	M	94.2	Very high	93.7	Very high	14 Å²	14	32.3 Å²	32.3	7%	0.069	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.6	168.8	69.7	-171.2	-50.7	0	0	111.6	Y205 G386 S392 I394 Y449	Y205-M384 HydrophobicContact CD1-CE 4.34Å; M384-G386 PolarHBondContact O-N 2.78Å; M384-S392 PolarHBondContact N-O 3.33Å; M384-S392 WeakPolarHBondContact O-CB 3.47Å; M384-S392 PolarHBondContact O-N 2.94Å; M384-I394 HydrophobicContact CG-CG2 3.88Å; M384-I394 HydrophobicContact SD-CG2 3.7Å; M384-Y449 HydrophobicContact SD-CD2 3.78Å; M384-Y449 HydrophobicContact SD-CE2 4.36Å
385	T	90.4	Very high	93.7	Very high	59 Å²	59	32.4 Å²	32.4	36%	0.362	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.1	173.7	-40.5	0	0	0	0	109.9	K207 E390	K207-T385 WeakPolarHBondContact CE-O 3.22Å; K207-T385 PolarHBondContact NZ-O 3.06Å; T385-E390 CarbonylContact C-O 3.53Å; T385-E390 WeakPolarHBondContact CA-O 3.44Å
386	G	82.9	Confident	93.7	Very high	25 Å²	25	32.4 Å²	32.4	26%	0.258	20%	0.202	S	C	.	.			trans	-66.5	178.9	172.6	0	0	0	0	0	112.9	M384 N388 G389 E390	M384-G386 PolarHBondContact O-N 2.78Å; G386-N388 PolarHBondContact O-N 3.41Å; G386-G389 PolarHBondContact O-N 2.84Å; G386-E390 PolarHBondContact N-O 2.84Å
387	A	79.9	Confident	93.7	Very high	109 Å²	109	33.6 Å²	33.6	90%	0.901	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.5	178	0	0	0	0	0	112.7
388	N	83.7	Confident	93.7	Very high	138 Å²	138	33.5 Å²	33.5	74%	0.738	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	2.2	-177.2	-59.9	-6.4	0	0	0	113.5	G386 E390	G386-N388 PolarHBondContact O-N 3.41Å; N388-E390 VanDerWaalsContact C-N 3.33Å; N388-E390 HydrophobicContact CB-CG 4.49Å
389	G	83.9	Confident	93.7	Very high	50 Å²	50	33.5 Å²	33.5	52%	0.515	21%	0.207	S	C	.	.	S	Bend	trans	88.8	-11	-172.9	0	0	0	0	0	115.1	G386	G386-G389 PolarHBondContact O-N 2.84Å
390	E	90.6	Very high	93.8	Very high	130 Å²	130	31.8 Å²	31.8	61%	0.607	20%	0.2	S	C	*	.			trans	-59.4	151.4	174.7	-69.3	165.4	-171.6	0	0	112.3	T385 G386 N388	T385-E390 CarbonylContact C-O 3.53Å; T385-E390 WeakPolarHBondContact CA-O 3.44Å; G386-E390 PolarHBondContact N-O 2.84Å; N388-E390 VanDerWaalsContact C-N 3.33Å; N388-E390 HydrophobicContact CB-CG 4.49Å
391	V	93.1	Very high	93.7	Very high	52 Å²	52	32.5 Å²	32.5	32%	0.315	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.3	-179.4	-178.5	0	0	0	0	109.8	V383	V383-V391 HydrophobicContact CB-CG1 3.76Å; V383-V391 HydrophobicContact CG1-CG1 3.69Å; V383-V391 HydrophobicContact CG2-CG1 4.46Å
392	S	95.4	Very high	93.6	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.4	176.6	-58.4	0	0	0	0	110.6	V383 M384 E448	V383-S392 CarbonylContact C-O 3.55Å; V383-S392 WeakPolarHBondContact CA-O 3.35Å; M384-S392 PolarHBondContact N-O 3.33Å; M384-S392 WeakPolarHBondContact O-CB 3.47Å; M384-S392 PolarHBondContact O-N 2.94Å; S392-E448 WeakPolarHBondContact CA-OE2 3.36Å; S392-E448 WeakPolarHBondContact CB-OE2 3.42Å; S392-E448 VanDerWaalsContact OG-CD 3.3Å; S392-E448 PolarHBondContact OG-OE2 2.96Å
393	F	97.3	Very high	93.5	Very high	39 Å²	39	33.2 Å²	33.2	17%	0.171	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.7	174.1	-62.5	-82.1	0	0	0	111	L202 H338 F340 H380 V383 E448 Y449	L202-F393 HydrophobicContact CD1-CD1 3.76Å; L202-F393 HydrophobicContact CD1-CE1 4.04Å; H338-F393 AromaticContact CD2-CE1 3.95Å; H338-F393 AromaticContact NE2-CE1 3.91Å; H338-F393 AromaticContact NE2-CZ 3.78Å; F340-F393 HydrophobicContact CE1-CE1 4.26Å; F340-F393 HydrophobicContact CE1-CZ 4.39Å; F340-F393 AromaticContact CE2-CE1 3.97Å; F340-F393 HydrophobicContact CE2-CE1 3.97Å; F340-F393 HydrophobicContact CZ-CD1 4.12Å; F340-F393 AromaticContact CZ-CE1 3.38Å; F340-F393 HydrophobicContact CZ-CE1 3.38Å; F340-F393 AromaticContact CZ-CZ 3.94Å; F340-F393 HydrophobicContact CZ-CZ 3.94Å; H380-F393 AromaticContact CD2-CD1 3.86Å; H380-F393 AromaticContact NE2-CG 3.93Å; V383-F393 HydrophobicContact CG1-CD1 3.71Å; V383-F393 HydrophobicContact CG1-CE1 3.79Å; F393-E448 PolarHBondContact O-N 2.85Å; F393-Y449 PolarHBondContact O-N 2.96Å
394	I	97.6	Very high	93.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.2	-177.4	69.4	167.3	0	0	0	112.8	Y205 D381 G382 M384 V396 Y449 K451	Y205-I394 HydrophobicContact CD2-CD1 3.66Å; Y205-I394 HydrophobicContact CG-CD1 3.89Å; D381-I394 PolarHBondContact N-O 2.87Å; G382-I394 PolarHBondContact N-O 2.73Å; G382-I394 WeakPolarHBondContact O-CG1 3.33Å; G382-I394 PolarHBondContact O-N 3.02Å; M384-I394 HydrophobicContact CG-CG2 3.88Å; M384-I394 HydrophobicContact SD-CG2 3.7Å; I394-V396 HydrophobicContact CD1-CG2 3.73Å; I394-V396 HydrophobicContact CG1-CG2 4.18Å; I394-Y449 VanDerWaalsContact CA-O 3.3Å; I394-Y449 WeakPolarHBondContact CA-O 3.43Å; I394-Y449 HydrophobicContact CG2-CD2 4.33Å; I394-K451 HydrophobicContact CD1-CG 4.1Å
395	N	98.3	Very high	93.3	Very high	2 Å²	2	42 Å²	42	1%	0.011	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	142.4	156.9	-75	110.5	0	0	0	110.5	E379 D381 A442 S447 Y449 L450 K451	E379-N395 PolarHBondContact O-ND2 2.84Å; D381-N395 WeakPolarHBondContact OD2-CA 3.32Å; D381-N395 WeakPolarHBondContact OD2-CB 3.43Å; D381-N395 PolarHBondContact OD2-ND2 2.96Å; N395-A442 HydrophobicContact CB-CB 4.26Å; N395-A442 VanDerWaalsContact OD1-CA 3.32Å; N395-A442 WeakPolarHBondContact OD1-CA 3.2Å; N395-A442 WeakPolarHBondContact OD1-CB 3.45Å; N395-S447 WeakPolarHBondContact OD1-CB 3.37Å; N395-S447 PolarHBondContact OD1-OG 3.37Å; N395-Y449 PolarHBondContact N-O 2.76Å; N395-L450 HydrophobicContact CB-CD1 3.92Å; N395-K451 PolarHBondContact O-N 2.84Å
396	V	98.4	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.4	178.8	-175.7	0	0	0	0	108.8	F326 D381 I394 K451	F326-V396 HydrophobicContact CD1-CG1 3.78Å; F326-V396 HydrophobicContact CE1-CG1 3.59Å; D381-V396 HydrophobicContact CB-CB 3.99Å; D381-V396 HydrophobicContact CB-CG2 4.07Å; D381-V396 PolarHBondContact OD2-N 2.91Å; I394-V396 HydrophobicContact CD1-CG2 3.73Å; I394-V396 HydrophobicContact CG1-CG2 4.18Å; V396-K451 WeakPolarHBondContact CA-O 3.45Å; V396-K451 HydrophobicContact CG2-CB 4.3Å
397	K	98.4	Very high	93.7	Very high	26 Å²	26	44.5 Å²	44.5	11%	0.113	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160.9	177.1	-51.7	-65.4	168.3	-148.4	0	110.2	N323 D381 W438 L450 K451 L452 G453	N323-K397 WeakPolarHBondContact OD1-CA 3.35Å; D381-K397 IonicContact OD1-NZ 3.6Å; D381-K397 PolarHBondContact OD1-NZ 3.42Å; D381-K397 IonicContact OD2-NZ 2.89Å; D381-K397 PolarHBondContact OD2-NZ 3.47Å; K397-W438 HydrophobicContact CB-CD2 3.59Å; K397-W438 HydrophobicContact CB-CE3 3.64Å; K397-W438 HydrophobicContact CB-CG 4.03Å; K397-W438 HydrophobicContact CB-CH2 4.35Å; K397-W438 HydrophobicContact CB-CZ2 4.26Å; K397-W438 HydrophobicContact CB-CZ3 4.05Å; K397-W438 HydrophobicContact CD-CG 4.3Å; K397-W438 HydrophobicContact CG-CB 4.1Å; K397-W438 HydrophobicContact CG-CD2 3.91Å; K397-W438 HydrophobicContact CG-CE3 4.38Å; K397-W438 HydrophobicContact CG-CG 3.77Å; K397-L450 HydrophobicContact CG-CD1 4.19Å; K397-K451 PolarHBondContact N-O 3.16Å; K397-L452 HydrophobicContact CB-CD2 4.22Å; K397-L452 VanDerWaalsContact O-CA 3.32Å; K397-L452 WeakPolarHBondContact O-CA 3.38Å; K397-G453 PolarHBondContact O-N 2.83Å
398	T	98.5	Very high	94.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	118.9	-162.9	-41.1	0	0	0	0	112.8	I322 N323 F326 W438 V455	I322-T398 HydrophobicContact CG2-CG2 3.66Å; N323-T398 WeakPolarHBondContact OD1-CB 3.31Å; N323-T398 PolarHBondContact OD1-N 3.49Å; N323-T398 PolarHBondContact OD1-OG1 2.82Å; F326-T398 HydrophobicContact CB-CG2 3.84Å; F326-T398 WeakPolarHBondContact CB-OG1 3.37Å; F326-T398 HydrophobicContact CD1-CG2 4.01Å; F326-T398 VanDerWaalsContact CD1-OG1 3.23Å; F326-T398 WeakPolarHBondContact CD1-OG1 3.38Å; F326-T398 HydrophobicContact CG-CG2 3.87Å; T398-W438 VanDerWaalsContact O-CH2 3.23Å; T398-W438 WeakPolarHBondContact O-CH2 3.35Å; T398-V455 HydrophobicContact CG2-CB 4.07Å; T398-V455 HydrophobicContact CG2-CG2 3.5Å
399	L	98.4	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.1	168.9	-72	170.5	0	0	0	109.8	W412 E427 L435 W438 L452 G453 Y454 V455	L399-W412 HydrophobicContact CB-CH2 3.75Å; L399-W412 HydrophobicContact CB-CZ2 4.49Å; L399-W412 HydrophobicContact CB-CZ3 4.49Å; L399-E427 HydrophobicContact CD1-CB 4.19Å; L399-E427 HydrophobicContact CD1-CG 4.24Å; L399-E427 HydrophobicContact CD2-CB 4.3Å; L399-E427 HydrophobicContact CD2-CG 4.48Å; L399-L435 HydrophobicContact CD1-CD2 4.48Å; L399-L435 HydrophobicContact CD2-CD1 4.23Å; L399-L435 HydrophobicContact CD2-CD2 4.08Å; L399-L435 HydrophobicContact CD2-CG 4.3Å; L399-W438 HydrophobicContact CD2-CH2 4.47Å; L399-W438 HydrophobicContact CD2-CZ3 4.06Å; L399-W438 HydrophobicContact CG-CZ3 4.32Å; L399-L452 HydrophobicContact CD1-CD1 4.18Å; L399-G453 PolarHBondContact N-O 3.4Å; L399-Y454 HydrophobicContact CB-CD1 4.39Å; L399-Y454 HydrophobicContact CD1-CD1 4.37Å; L399-Y454 HydrophobicContact CD1-CE1 3.82Å; L399-V455 PolarHBondContact O-N 2.72Å
400	N	98	Very high	95.2	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.027	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122	-175.8	66.4	-59.7	0	0	0	113.2	I322 K434 V455	I322-N400 HydrophobicContact CD1-CB 3.91Å; N400-K434 PolarHBondContact OD1-NZ 2.79Å; N400-V455 CarbonylContact C-O 3.55Å; N400-V455 VanDerWaalsContact CA-O 3.29Å; N400-V455 WeakPolarHBondContact CA-O 3.37Å
401	E	97.9	Very high	95.4	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119	169.8	-174.3	-169.1	-145.8	0	0	110	S404 D411 W412 R413 V455 S456 R457	E401-S404 WeakPolarHBondContact OE1-CB 3.22Å; E401-S404 PolarHBondContact OE1-OG 3.02Å; E401-D411 WeakPolarHBondContact OE1-CA 3.37Å; E401-W412 HydrophobicContact CB-CD2 3.69Å; E401-W412 HydrophobicContact CB-CE3 3.7Å; E401-W412 HydrophobicContact CB-CG 4.28Å; E401-W412 HydrophobicContact CB-CH2 3.93Å; E401-W412 HydrophobicContact CB-CZ2 3.93Å; E401-W412 HydrophobicContact CB-CZ3 3.82Å; E401-W412 HydrophobicContact CG-CD2 4.25Å; E401-W412 HydrophobicContact CG-CG 4.36Å; E401-W412 PolarHBondContact OE1-N 3.42Å; E401-R413 IonicContact OE2-NH1 3.39Å; E401-V455 PolarHBondContact N-O 2.88Å; E401-S456 VanDerWaalsContact OE2-CB 3.25Å; E401-S456 WeakPolarHBondContact OE2-CB 3.21Å; E401-S456 PolarHBondContact OE2-OG 2.84Å; E401-R457 PolarHBondContact O-N 3.04Å; E401-R457 VanDerWaalsContact O-N 3.13Å
402	W	95.3	Very high	95.7	Very high	20 Å²	20	32.2 Å²	32.2	8%	0.076	16%	0.156	C	C	.	.	S	Bend	trans	-101.9	-57.2	-179.6	60.1	-83.7	0	0	0	112.2	S295 P302 N310 L315 Y406	S295-W402 PolarHBondContact OG-NE1 3.43Å; P302-W402 HydrophobicContact CG-CZ2 4.16Å; N310-W402 HydrophobicContact CB-CE3 4.36Å; N310-W402 HydrophobicContact CB-CZ3 4.1Å; L315-W402 HydrophobicContact CD1-CD2 4.28Å; L315-W402 HydrophobicContact CD1-CE3 4.5Å; L315-W402 HydrophobicContact CD2-CB 3.89Å; L315-W402 HydrophobicContact CD2-CD2 4.15Å; L315-W402 HydrophobicContact CD2-CE3 4.34Å; L315-W402 HydrophobicContact CD2-CG 3.97Å; W402-Y406 VanDerWaalsContact CH2-CB 3.44Å; W402-Y406 HydrophobicContact CH2-CD1 4.49Å; W402-Y406 HydrophobicContact CH2-CD2 4.05Å; W402-Y406 AromaticContact CH2-CG 3.76Å; W402-Y406 HydrophobicContact CH2-CG 3.76Å; W402-Y406 HydrophobicContact CZ3-CD2 4.03Å; W402-Y406 HydrophobicContact CZ3-CG 4.21Å
403	D	94.4	Very high	95.7	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.048	17%	0.168	C	C	.	.			trans	-152.3	101.2	171.6	-169.3	-22.9	0	0	0	110.3	R405 Y406 V460	D403-R405 PolarHBondContact O-N 3.46Å; D403-R405 WeakPolarHBondContact OD1-CB 3.45Å; D403-R405 WeakPolarHBondContact OD1-CG 3.48Å; D403-R405 IonicContact OD1-CZ 3.43Å; D403-R405 PolarHBondContact OD1-N 3.13Å; D403-R405 IonicContact OD1-NE 3.56Å; D403-R405 PolarHBondContact OD1-NE 2.86Å; D403-R405 IonicContact OD1-NH2 2.79Å; D403-R405 IonicContact OD2-CZ 3.41Å; D403-R405 IonicContact OD2-NE 3.21Å; D403-R405 PolarHBondContact OD2-NE 2.98Å; D403-R405 IonicContact OD2-NH2 2.73Å; D403-R405 PolarHBondContact OD2-NH2 2.87Å; D403-Y406 HydrophobicContact CB-CD2 3.94Å; D403-Y406 HydrophobicContact CB-CE2 4.43Å; D403-Y406 PolarHBondContact O-N 2.91Å; D403-Y406 VanDerWaalsContact O-N 3.17Å; D403-Y406 WeakPolarHBondContact OD2-CE2 3.39Å; D403-V460 HydrophobicContact CB-CB 4.35Å
404	S	93.3	Very high	95.6	Very high	27 Å²	27	40 Å²	40	19%	0.189	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-2.4	-175.3	37.3	0	0	0	0	115.2	E401 Y406 G409 V410	E401-S404 WeakPolarHBondContact OE1-CB 3.22Å; E401-S404 PolarHBondContact OE1-OG 3.02Å; S404-Y406 VanDerWaalsContact C-N 3.33Å; S404-G409 CarbonylContact O-C 3.59Å; S404-G409 VanDerWaalsContact O-C 3.29Å; S404-G409 WeakPolarHBondContact O-CA 3.45Å; S404-V410 WeakPolarHBondContact CB-O 3.45Å
405	R	92.8	Very high	95.6	Very high	170 Å²	170	43.3 Å²	43.3	64%	0.642	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.6	173.8	-59.5	172.5	-65.7	-179.5	3.9	113.1	D403	D403-R405 PolarHBondContact O-N 3.46Å; D403-R405 WeakPolarHBondContact OD1-CB 3.45Å; D403-R405 WeakPolarHBondContact OD1-CG 3.48Å; D403-R405 IonicContact OD1-CZ 3.43Å; D403-R405 PolarHBondContact OD1-N 3.13Å; D403-R405 IonicContact OD1-NE 3.56Å; D403-R405 PolarHBondContact OD1-NE 2.86Å; D403-R405 IonicContact OD1-NH2 2.79Å; D403-R405 IonicContact OD2-CZ 3.41Å; D403-R405 IonicContact OD2-NE 3.21Å; D403-R405 PolarHBondContact OD2-NE 2.98Å; D403-R405 IonicContact OD2-NH2 2.73Å; D403-R405 PolarHBondContact OD2-NH2 2.87Å
406	Y	90.9	Very high	95.4	Very high	127 Å²	127	43.3 Å²	43.3	50%	0.498	20%	0.204	S	C	.	.	S	Bend	trans	-100.3	169.5	177.6	-66.9	-92	0	0	0	111.3	W402 D403 S404 N408 G409	W402-Y406 VanDerWaalsContact CH2-CB 3.44Å; W402-Y406 HydrophobicContact CH2-CD1 4.49Å; W402-Y406 HydrophobicContact CH2-CD2 4.05Å; W402-Y406 AromaticContact CH2-CG 3.76Å; W402-Y406 HydrophobicContact CH2-CG 3.76Å; W402-Y406 HydrophobicContact CZ3-CD2 4.03Å; W402-Y406 HydrophobicContact CZ3-CG 4.21Å; D403-Y406 HydrophobicContact CB-CD2 3.94Å; D403-Y406 HydrophobicContact CB-CE2 4.43Å; D403-Y406 PolarHBondContact O-N 2.91Å; D403-Y406 VanDerWaalsContact O-N 3.17Å; D403-Y406 WeakPolarHBondContact OD2-CE2 3.39Å; S404-Y406 VanDerWaalsContact C-N 3.33Å; Y406-N408 PolarHBondContact O-N 3Å; Y406-G409 PolarHBondContact O-N 2.83Å
407	C	91.3	Very high	95.2	Very high	10 Å²	10	46.3 Å²	46.3	7%	0.068	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	20.7	175.2	-56.1	0	0	0	0	115.6	A298 E300 G409 N430	A298-C407 HydrophobicContact CB-CB 3.86Å; E300-C407 PolarHBondContact O-SG 2.75Å; C407-G409 VanDerWaalsContact C-N 3.26Å; C407-G409 PolarHBondContact O-N 2.94Å; C407-N430 PolarHBondContact O-ND2 2.83Å; C407-N430 PolarHBondContact O-OD1 2.84Å
408	N	91.8	Very high	95	Very high	105 Å²	105	49.1 Å²	49.1	56%	0.561	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	39.3	-168.4	-55.5	-88.3	0	0	0	113.2	Y406	Y406-N408 PolarHBondContact O-N 3Å
409	G	91.7	Very high	94.8	Very high	25 Å²	25	53.5 Å²	53.5	26%	0.258	26%	0.263	S	S	.	.			trans	-63	169.7	175.3	0	0	0	0	0	113.8	S404 Y406 C407	S404-G409 CarbonylContact O-C 3.59Å; S404-G409 VanDerWaalsContact O-C 3.29Å; S404-G409 WeakPolarHBondContact O-CA 3.45Å; Y406-G409 PolarHBondContact O-N 2.83Å; C407-G409 VanDerWaalsContact C-N 3.26Å; C407-G409 PolarHBondContact O-N 2.94Å
410	V	95	Very high	94.6	Very high	38 Å²	38	58.1 Å²	58.1	23%	0.23	28%	0.281	C	S	.	.			trans	-125.4	139.8	171.8	-66.4	0	0	0	0	108.4	S404 W412 K415 V423 T426	S404-V410 WeakPolarHBondContact CB-O 3.45Å; V410-W412 PolarHBondContact O-N 2.8Å; V410-K415 HydrophobicContact CB-CG 4.41Å; V410-V423 HydrophobicContact CG2-CB 4.38Å; V410-V423 HydrophobicContact CG2-CG2 3.97Å; V410-T426 HydrophobicContact CG2-CG2 4.41Å
411	D	96.4	Very high	94.4	Very high	51 Å²	51	60.5 Å²	60.5	27%	0.273	31%	0.306	S	S	.	.			trans	-68.5	111.5	177.9	176.8	-13.4	0	0	0	110.1	E401 R413 Q414 K415	E401-D411 WeakPolarHBondContact OE1-CA 3.37Å; D411-R413 VanDerWaalsContact C-N 3.3Å; D411-R413 PolarHBondContact O-N 3.25Å; D411-R413 WeakPolarHBondContact OD1-CB 3.19Å; D411-R413 PolarHBondContact OD1-N 2.85Å; D411-Q414 HydrophobicContact CB-CB 4.35Å; D411-Q414 HydrophobicContact CB-CG 4.31Å; D411-Q414 PolarHBondContact O-N 3.48Å; D411-Q414 PolarHBondContact OD1-N 3.5Å; D411-Q414 WeakPolarHBondContact OD2-CG 3.26Å; D411-Q414 PolarHBondContact OD2-NE2 2.83Å; D411-K415 WeakPolarHBondContact O-CB 3.36Å; D411-K415 WeakPolarHBondContact O-CG 3.31Å; D411-K415 PolarHBondContact O-N 3.3Å
412	W	97.8	Very high	94.2	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-33.1	-176.7	-67.9	8.5	0	0	0	112.2	L399 E401 V410 Q414 K415 L416 V423 E427 Y454 V455 L469	L399-W412 HydrophobicContact CB-CH2 3.75Å; L399-W412 HydrophobicContact CB-CZ2 4.49Å; L399-W412 HydrophobicContact CB-CZ3 4.49Å; E401-W412 HydrophobicContact CB-CD2 3.69Å; E401-W412 HydrophobicContact CB-CE3 3.7Å; E401-W412 HydrophobicContact CB-CG 4.28Å; E401-W412 HydrophobicContact CB-CH2 3.93Å; E401-W412 HydrophobicContact CB-CZ2 3.93Å; E401-W412 HydrophobicContact CB-CZ3 3.82Å; E401-W412 HydrophobicContact CG-CD2 4.25Å; E401-W412 HydrophobicContact CG-CG 4.36Å; E401-W412 PolarHBondContact OE1-N 3.42Å; V410-W412 PolarHBondContact O-N 2.8Å; W412-Q414 PolarHBondContact O-N 3.2Å; W412-K415 PolarHBondContact O-N 2.99Å; W412-L416 HydrophobicContact CB-CB 4.43Å; W412-L416 WeakPolarHBondContact O-CB 3.09Å; W412-L416 PolarHBondContact O-N 3.17Å; W412-V423 HydrophobicContact CD2-CG1 4.21Å; W412-V423 HydrophobicContact CG-CG1 4.07Å; W412-E427 HydrophobicContact CZ2-CG 3.86Å; W412-Y454 HydrophobicContact CD2-CD1 4.33Å; W412-Y454 AromaticContact CE3-CD1 3.95Å; W412-Y454 HydrophobicContact CE3-CD1 3.95Å; W412-Y454 HydrophobicContact CE3-CG 4.41Å; W412-Y454 HydrophobicContact CH2-CD1 4.05Å; W412-Y454 HydrophobicContact CZ2-CD1 4.4Å; W412-Y454 AromaticContact CZ3-CD1 3.8Å; W412-Y454 HydrophobicContact CZ3-CD1 3.8Å; W412-Y454 HydrophobicContact CZ3-CG 4.32Å; W412-V455 VanDerWaalsContact CZ3-O 3.31Å; W412-V455 WeakPolarHBondContact CZ3-O 3.3Å; W412-L469 HydrophobicContact CB-CD1 3.64Å; W412-L469 HydrophobicContact CE3-CD1 4.35Å
413	R	96.5	Very high	94.3	Very high	73 Å²	73	60.9 Å²	60.9	28%	0.275	32%	0.316	S	S	.	.	H	α-helix	trans	-65.9	-29.6	179.6	-68.5	-175.9	178.1	81.3	-9.7	112.4	T214 E217 E401 D411 S456 R457 L469	T214-R413 PolarHBondContact OG1-O 3.43Å; E217-R413 IonicContact OE2-CZ 2.66Å; E217-R413 IonicContact OE2-NE 2.77Å; E217-R413 PolarHBondContact OE2-NE 3.07Å; E217-R413 VanDerWaalsContact OE2-NE 3.15Å; E217-R413 IonicContact OE2-NH2 3.43Å; E401-R413 IonicContact OE2-NH1 3.39Å; D411-R413 VanDerWaalsContact C-N 3.3Å; D411-R413 PolarHBondContact O-N 3.25Å; D411-R413 WeakPolarHBondContact OD1-CB 3.19Å; D411-R413 PolarHBondContact OD1-N 2.85Å; R413-S456 PolarHBondContact NH1-OG 3.05Å; R413-R457 PolarHBondContact NH2-O 3.32Å; R413-L469 HydrophobicContact CG-CD1 3.81Å; R413-L469 HydrophobicContact CG-CD2 3.94Å
414	Q	95.4	Very high	94.4	Very high	135 Å²	135	61 Å²	61	63%	0.631	32%	0.316	S	S	*	.	H	α-helix	trans	-85	-33	174	-64.5	-179.3	44.2	0	0	113.3	D411 W412 S418	D411-Q414 HydrophobicContact CB-CB 4.35Å; D411-Q414 HydrophobicContact CB-CG 4.31Å; D411-Q414 PolarHBondContact O-N 3.48Å; D411-Q414 PolarHBondContact OD1-N 3.5Å; D411-Q414 WeakPolarHBondContact OD2-CG 3.26Å; D411-Q414 PolarHBondContact OD2-NE2 2.83Å; W412-Q414 PolarHBondContact O-N 3.2Å; Q414-S418 PolarHBondContact O-OG 3.13Å
415	K	96.2	Very high	94.5	Very high	68 Å²	68	62.4 Å²	62.4	30%	0.296	33%	0.33	S	S	.	.	H	α-helix	trans	-109.8	-23.5	-164.7	-62.2	-53.9	-165.4	164.6	0	115.7	V410 D411 W412 D417 S418 Q419 V423	V410-K415 HydrophobicContact CB-CG 4.41Å; D411-K415 WeakPolarHBondContact O-CB 3.36Å; D411-K415 WeakPolarHBondContact O-CG 3.31Å; D411-K415 PolarHBondContact O-N 3.3Å; W412-K415 PolarHBondContact O-N 2.99Å; K415-D417 PolarHBondContact O-N 3.32Å; K415-S418 PolarHBondContact O-N 2.85Å; K415-Q419 CarbonylContact O-C 3.29Å; K415-Q419 VanDerWaalsContact O-C 3.29Å; K415-Q419 VanDerWaalsContact O-CA 3.3Å; K415-Q419 WeakPolarHBondContact O-CA 3.49Å; K415-Q419 PolarHBondContact O-N 3.22Å; K415-V423 HydrophobicContact CB-CG2 3.79Å
416	L	95.1	Very high	94.7	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-33.5	-172.6	-170.5	68	0	0	0	113	T214 W412 R420 V423 Y454 L469	T214-L416 HydrophobicContact CG2-CB 3.82Å; T214-L416 HydrophobicContact CG2-CD2 4.37Å; W412-L416 HydrophobicContact CB-CB 4.43Å; W412-L416 WeakPolarHBondContact O-CB 3.09Å; W412-L416 PolarHBondContact O-N 3.17Å; L416-R420 WeakPolarHBondContact O-CG 3.22Å; L416-R420 PolarHBondContact O-NE 3.34Å; L416-V423 HydrophobicContact CD1-CB 4.32Å; L416-V423 HydrophobicContact CD1-CG1 4.11Å; L416-V423 HydrophobicContact CD1-CG2 4.34Å; L416-Y454 HydrophobicContact CD1-CD1 3.84Å; L416-Y454 HydrophobicContact CD1-CD2 3.95Å; L416-Y454 HydrophobicContact CD1-CE1 3.92Å; L416-Y454 HydrophobicContact CD1-CE2 4.01Å; L416-Y454 HydrophobicContact CD1-CG 3.85Å; L416-Y454 HydrophobicContact CD2-CD2 4.2Å; L416-Y454 HydrophobicContact CD2-CG 3.92Å; L416-L469 HydrophobicContact CD2-CB 3.74Å
417	D	93.8	Very high	95	Very high	63 Å²	63	50 Å²	50	34%	0.337	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-25.7	178.1	-72.5	-27.3	0	0	0	113.9	T213 T214 K415 R420	T213-D417 WeakPolarHBondContact CB-OD2 3.37Å; T214-D417 PolarHBondContact N-OD2 2.93Å; T214-D417 PolarHBondContact OG1-OD2 2.86Å; T214-D417 VanDerWaalsContact OG1-OD2 3.06Å; K415-D417 PolarHBondContact O-N 3.32Å; D417-R420 IonicContact OD1-NH2 2.72Å
418	S	94.2	Very high	95.2	Very high	85 Å²	85	51.1 Å²	51.1	59%	0.594	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-24.9	-174.2	60.6	0	0	0	0	114.5	Q414 K415	Q414-S418 PolarHBondContact O-OG 3.13Å; K415-S418 PolarHBondContact O-N 2.85Å
419	Q	94.5	Very high	95.4	Very high	93 Å²	93	50.8 Å²	50.8	44%	0.435	28%	0.284	S	S	.	.			trans	-143.8	46.1	-168.1	-62	-173.5	-18	0	0	111.3	K415 G421 A422 V423	K415-Q419 CarbonylContact O-C 3.29Å; K415-Q419 VanDerWaalsContact O-C 3.29Å; K415-Q419 VanDerWaalsContact O-CA 3.3Å; K415-Q419 WeakPolarHBondContact O-CA 3.49Å; K415-Q419 PolarHBondContact O-N 3.22Å; Q419-G421 VanDerWaalsContact C-N 3.26Å; Q419-G421 PolarHBondContact O-N 3.46Å; Q419-G421 VanDerWaalsContact O-N 3.16Å; Q419-A422 HydrophobicContact CB-CB 4.05Å; Q419-A422 WeakPolarHBondContact O-CA 3.47Å; Q419-A422 WeakPolarHBondContact O-CB 3.47Å; Q419-A422 PolarHBondContact O-N 2.97Å; Q419-V423 PolarHBondContact O-N 3.28Å
420	R	94	Very high	95.7	Very high	98 Å²	98	49.8 Å²	49.8	37%	0.37	27%	0.273	S	S	.	.	H	α-helix	trans	-45.1	-46.8	178.7	-71.4	-174.3	179.6	-166.4	-3.1	113.6	L416 D417 A422 V423 L424	L416-R420 WeakPolarHBondContact O-CG 3.22Å; L416-R420 PolarHBondContact O-NE 3.34Å; D417-R420 IonicContact OD1-NH2 2.72Å; R420-A422 VanDerWaalsContact C-N 3.28Å; R420-A422 PolarHBondContact O-N 2.72Å; R420-V423 PolarHBondContact O-N 3Å; R420-L424 WeakPolarHBondContact O-CB 3.47Å; R420-L424 PolarHBondContact O-N 3.13Å
421	G	94.3	Very high	95.8	Very high	54 Å²	54	48 Å²	48	56%	0.557	26%	0.262	S	S	*	.	H	α-helix	trans	-62.7	-30.4	178.7	0	0	0	0	0	114.1	Q419 A425	Q419-G421 VanDerWaalsContact C-N 3.26Å; Q419-G421 PolarHBondContact O-N 3.46Å; Q419-G421 VanDerWaalsContact O-N 3.16Å; G421-A425 WeakPolarHBondContact O-CB 3.3Å; G421-A425 PolarHBondContact O-N 2.9Å
422	A	94.5	Very high	95.9	Very high	43 Å²	43	46.8 Å²	46.8	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-74	-41.4	175.7	0	0	0	0	0	111.5	Q419 R420 A425 T426	Q419-A422 HydrophobicContact CB-CB 4.05Å; Q419-A422 WeakPolarHBondContact O-CA 3.47Å; Q419-A422 WeakPolarHBondContact O-CB 3.47Å; Q419-A422 PolarHBondContact O-N 2.97Å; R420-A422 VanDerWaalsContact C-N 3.28Å; R420-A422 PolarHBondContact O-N 2.72Å; A422-A425 PolarHBondContact O-N 3.37Å; A422-T426 PolarHBondContact O-N 3.06Å; A422-T426 PolarHBondContact O-OG1 2.91Å; A422-T426 VanDerWaalsContact O-OG1 3.07Å
423	V	96.6	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-52.3	172.6	178.2	0	0	0	0	110.1	V410 W412 K415 L416 Q419 R420 A425 T426 E427 Y454	V410-V423 HydrophobicContact CG2-CB 4.38Å; V410-V423 HydrophobicContact CG2-CG2 3.97Å; W412-V423 HydrophobicContact CD2-CG1 4.21Å; W412-V423 HydrophobicContact CG-CG1 4.07Å; K415-V423 HydrophobicContact CB-CG2 3.79Å; L416-V423 HydrophobicContact CD1-CB 4.32Å; L416-V423 HydrophobicContact CD1-CG1 4.11Å; L416-V423 HydrophobicContact CD1-CG2 4.34Å; Q419-V423 PolarHBondContact O-N 3.28Å; R420-V423 PolarHBondContact O-N 3Å; V423-A425 VanDerWaalsContact C-N 3.34Å; V423-A425 PolarHBondContact O-N 3.33Å; V423-T426 WeakPolarHBondContact O-CB 3.33Å; V423-T426 PolarHBondContact O-N 3.25Å; V423-T426 VanDerWaalsContact O-N 3.14Å; V423-E427 PolarHBondContact O-N 3.09Å; V423-Y454 HydrophobicContact CG1-CD1 4.37Å; V423-Y454 HydrophobicContact CG1-CE1 3.97Å
424	L	95.6	Very high	96	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-41.1	179.2	-175.3	65.4	0	0	0	112.2	R420 T426 E427 L428 F474 F479	R420-L424 WeakPolarHBondContact O-CB 3.47Å; R420-L424 PolarHBondContact O-N 3.13Å; L424-T426 VanDerWaalsContact C-N 3.35Å; L424-T426 PolarHBondContact O-N 2.68Å; L424-E427 PolarHBondContact O-N 3.26Å; L424-L428 HydrophobicContact CD1-CG 4.44Å; L424-L428 HydrophobicContact CG-CD1 3.98Å; L424-L428 HydrophobicContact CG-CG 4.34Å; L424-L428 WeakPolarHBondContact O-CB 3.39Å; L424-L428 WeakPolarHBondContact O-CG 3.43Å; L424-L428 PolarHBondContact O-N 2.8Å; L424-F474 HydrophobicContact CD1-CZ 4.3Å; L424-F474 HydrophobicContact CD2-CE1 3.95Å; L424-F474 HydrophobicContact CD2-CZ 3.71Å; L424-F479 HydrophobicContact CD1-CE2 4.13Å; L424-F479 HydrophobicContact CD1-CZ 4.34Å; L424-F479 HydrophobicContact CD2-CE2 4.32Å
425	A	95.6	Very high	96.1	Very high	57 Å²	57	37.4 Å²	37.4	47%	0.471	22%	0.217	S	C	.	.	H	α-helix	trans	-64.6	-36.3	176.3	0	0	0	0	0	113	G421 A422 V423 K429	G421-A425 WeakPolarHBondContact O-CB 3.3Å; G421-A425 PolarHBondContact O-N 2.9Å; A422-A425 PolarHBondContact O-N 3.37Å; V423-A425 VanDerWaalsContact C-N 3.34Å; V423-A425 PolarHBondContact O-N 3.33Å; A425-K429 PolarHBondContact O-N 3.07Å; A425-K429 VanDerWaalsContact O-N 3.12Å
426	T	96.9	Very high	96.2	Very high	24 Å²	24	34.2 Å²	34.2	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-44.4	172.8	-61	0	0	0	0	111	V410 A422 V423 L424 K429 N430	V410-T426 HydrophobicContact CG2-CG2 4.41Å; A422-T426 PolarHBondContact O-N 3.06Å; A422-T426 PolarHBondContact O-OG1 2.91Å; A422-T426 VanDerWaalsContact O-OG1 3.07Å; V423-T426 WeakPolarHBondContact O-CB 3.33Å; V423-T426 PolarHBondContact O-N 3.25Å; V423-T426 VanDerWaalsContact O-N 3.14Å; L424-T426 VanDerWaalsContact C-N 3.35Å; L424-T426 PolarHBondContact O-N 2.68Å; T426-K429 PolarHBondContact O-N 3.17Å; T426-N430 WeakPolarHBondContact O-CB 3.41Å; T426-N430 PolarHBondContact O-N 3.33Å
427	E	97	Very high	96.4	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-68	-37.5	177.3	-66.2	-48.7	126.1	0	0	113	L399 W412 V423 L424 K429 N430 N431 L435	L399-E427 HydrophobicContact CD1-CB 4.19Å; L399-E427 HydrophobicContact CD1-CG 4.24Å; L399-E427 HydrophobicContact CD2-CB 4.3Å; L399-E427 HydrophobicContact CD2-CG 4.48Å; W412-E427 HydrophobicContact CZ2-CG 3.86Å; V423-E427 PolarHBondContact O-N 3.09Å; L424-E427 PolarHBondContact O-N 3.26Å; E427-K429 VanDerWaalsContact C-N 3.27Å; E427-K429 PolarHBondContact O-N 3.28Å; E427-N430 PolarHBondContact O-N 3.29Å; E427-N431 WeakPolarHBondContact O-CA 3.35Å; E427-N431 WeakPolarHBondContact O-CB 3.23Å; E427-N431 PolarHBondContact O-N 3.18Å; E427-N431 PolarHBondContact OE2-ND2 3.12Å; E427-L435 HydrophobicContact CB-CD1 4.36Å
428	L	95.8	Very high	96.6	Very high	34 Å²	34	33.3 Å²	33.3	18%	0.178	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-33.2	173.7	-74.6	170.8	0	0	0	112.9	L424 S432 L435 F479 I483	L424-L428 HydrophobicContact CD1-CG 4.44Å; L424-L428 HydrophobicContact CG-CD1 3.98Å; L424-L428 HydrophobicContact CG-CG 4.34Å; L424-L428 WeakPolarHBondContact O-CB 3.39Å; L424-L428 WeakPolarHBondContact O-CG 3.43Å; L424-L428 PolarHBondContact O-N 2.8Å; L428-S432 WeakPolarHBondContact O-CA 3.46Å; L428-S432 VanDerWaalsContact O-CB 3.23Å; L428-S432 WeakPolarHBondContact O-CB 3.25Å; L428-L435 HydrophobicContact CD2-CB 4.38Å; L428-L435 HydrophobicContact CD2-CD1 3.76Å; L428-L435 HydrophobicContact CG-CD1 4.29Å; L428-F479 HydrophobicContact CD2-CZ 4.38Å; L428-I483 HydrophobicContact CD1-CG2 4.26Å; L428-I483 HydrophobicContact CD2-CB 3.77Å; L428-I483 HydrophobicContact CD2-CG2 3.17Å; L428-I483 HydrophobicContact CG-CG2 4.36Å
429	K	96.4	Very high	96.8	Very high	98 Å²	98	29.3 Å²	29.3	43%	0.426	17%	0.166	S	C	.	.	H	α-helix	trans	-72.3	-46.5	173.1	-175.1	-174.8	175	-168.7	0	111.6	T297 N299 A425 T426 E427	T297-K429 CarbonylContact C-O 3.59Å; T297-K429 VanDerWaalsContact O-O 3.08Å; T297-K429 PolarHBondContact OG1-O 2.82Å; N299-K429 VanDerWaalsContact CG-NZ 3.33Å; N299-K429 PolarHBondContact ND2-NZ 3.43Å; N299-K429 WeakPolarHBondContact OD1-CE 3.34Å; N299-K429 PolarHBondContact OD1-NZ 2.77Å; A425-K429 PolarHBondContact O-N 3.07Å; A425-K429 VanDerWaalsContact O-N 3.12Å; T426-K429 PolarHBondContact O-N 3.17Å; E427-K429 VanDerWaalsContact C-N 3.27Å; E427-K429 PolarHBondContact O-N 3.28Å
430	N	97.4	Very high	97	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-85.5	-25.8	-169.8	-70.8	-9.9	0	0	0	113.9	S295 E296 T297 A298 C407 T426 E427	S295-N430 CarbonylContact C-O 3.56Å; S295-N430 WeakPolarHBondContact CA-O 3.31Å; E296-N430 PolarHBondContact N-O 3.3Å; T297-N430 PolarHBondContact N-O 2.82Å; T297-N430 PolarHBondContact OG1-O 3.47Å; A298-N430 WeakPolarHBondContact CA-OD1 3.43Å; A298-N430 HydrophobicContact CB-CB 4.15Å; A298-N430 WeakPolarHBondContact CB-OD1 3.45Å; C407-N430 PolarHBondContact O-ND2 2.83Å; C407-N430 PolarHBondContact O-OD1 2.84Å; T426-N430 WeakPolarHBondContact O-CB 3.41Å; T426-N430 PolarHBondContact O-N 3.33Å; E427-N430 PolarHBondContact O-N 3.29Å
431	N	97.9	Very high	97.2	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	13%	0.132	C	C	.	.	S	Bend	trans	-126.6	35	-174.9	-70.7	-68.5	0	0	0	111.8	S295 T297 E427 Y433 K434 L435	S295-N431 PolarHBondContact N-OD1 3.34Å; T297-N431 PolarHBondContact OG1-N 3.23Å; E427-N431 WeakPolarHBondContact O-CA 3.35Å; E427-N431 WeakPolarHBondContact O-CB 3.23Å; E427-N431 PolarHBondContact O-N 3.18Å; E427-N431 PolarHBondContact OE2-ND2 3.12Å; N431-Y433 PolarHBondContact O-N 2.98Å; N431-K434 HydrophobicContact CB-CB 4.5Å; N431-K434 PolarHBondContact O-N 3.43Å; N431-K434 WeakPolarHBondContact OD1-CE 3.23Å; N431-K434 PolarHBondContact OD1-NZ 2.82Å; N431-L435 HydrophobicContact CB-CD1 4.4Å; N431-L435 PolarHBondContact O-N 2.77Å
432	S	97.9	Very high	97.4	Very high	25 Å²	25	18.3 Å²	18.3	18%	0.175	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-40.1	-170.8	-172	0	0	0	0	113.7	R263 T297 L428 A436	R263-S432 PolarHBondContact NH1-OG 3.42Å; T297-S432 WeakPolarHBondContact OG1-CB 3.44Å; T297-S432 PolarHBondContact OG1-N 3.42Å; L428-S432 WeakPolarHBondContact O-CA 3.46Å; L428-S432 VanDerWaalsContact O-CB 3.23Å; L428-S432 WeakPolarHBondContact O-CB 3.25Å; S432-A436 VanDerWaalsContact O-CB 3.26Å; S432-A436 WeakPolarHBondContact O-CB 3.31Å; S432-A436 PolarHBondContact O-N 3.36Å
433	Y	98.2	Very high	97.5	Very high	9 Å²	9	18.3 Å²	18.3	4%	0.035	10%	0.099	C	C	.	.	H	α-helix	trans	-70.1	-47.6	179	-175	-138.4	0	0	0	112	T257 C260 R263 W268 N431 L435 A436 R437	T257-Y433 WeakPolarHBondContact CG2-OH 3.4Å; T257-Y433 PolarHBondContact O-OH 2.97Å; C260-Y433 HydrophobicContact CB-CD2 4.01Å; C260-Y433 HydrophobicContact CB-CE2 3.82Å; C260-Y433 WeakPolarHBondContact O-CD2 3.29Å; C260-Y433 VanDerWaalsContact O-CE2 3.28Å; C260-Y433 WeakPolarHBondContact O-CE2 3.38Å; R263-Y433 HydrophobicContact CB-CD2 4.01Å; R263-Y433 HydrophobicContact CB-CG 4.43Å; W268-Y433 PolarHBondContact NE1-OH 2.96Å; N431-Y433 PolarHBondContact O-N 2.98Å; Y433-L435 PolarHBondContact O-N 2.86Å; Y433-A436 PolarHBondContact O-N 2.94Å; Y433-R437 HydrophobicContact CD2-CG 4.19Å; Y433-R437 HydrophobicContact CE2-CG 3.92Å; Y433-R437 PolarHBondContact O-N 2.6Å
434	K	98.3	Very high	97.5	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-56	-48.5	176.1	-179.8	166.4	67.6	-176.9	0	112.2	L292 T293 N400 N431 R437 W438	L292-K434 HydrophobicContact CB-CD 4.05Å; L292-K434 HydrophobicContact CD2-CD 4.29Å; T293-K434 VanDerWaalsContact O-CD 3.31Å; T293-K434 WeakPolarHBondContact O-CD 3.41Å; T293-K434 WeakPolarHBondContact O-CE 3.5Å; T293-K434 PolarHBondContact O-NZ 3.31Å; N400-K434 PolarHBondContact OD1-NZ 2.79Å; N431-K434 HydrophobicContact CB-CB 4.5Å; N431-K434 PolarHBondContact O-N 3.43Å; N431-K434 WeakPolarHBondContact OD1-CE 3.23Å; N431-K434 PolarHBondContact OD1-NZ 2.82Å; K434-R437 PolarHBondContact O-N 3.46Å; K434-W438 HydrophobicContact CD-CH2 3.68Å; K434-W438 HydrophobicContact CD-CZ2 3.49Å; K434-W438 VanDerWaalsContact CD-CZ2 3.49Å; K434-W438 HydrophobicContact CG-CD2 4.15Å; K434-W438 HydrophobicContact CG-CE3 4.43Å; K434-W438 HydrophobicContact CG-CH2 3.72Å; K434-W438 HydrophobicContact CG-CZ2 3.41Å; K434-W438 VanDerWaalsContact CG-CZ2 3.41Å; K434-W438 HydrophobicContact CG-CZ3 4.23Å; K434-W438 PolarHBondContact O-N 3.32Å; K434-W438 VanDerWaalsContact O-N 3.13Å
435	L	98.2	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-36.2	178.6	-76.5	163.7	0	0	0	112.6	L399 E427 L428 N431 Y433 W438 T439 L452 F479	L399-L435 HydrophobicContact CD1-CD2 4.48Å; L399-L435 HydrophobicContact CD2-CD1 4.23Å; L399-L435 HydrophobicContact CD2-CD2 4.08Å; L399-L435 HydrophobicContact CD2-CG 4.3Å; E427-L435 HydrophobicContact CB-CD1 4.36Å; L428-L435 HydrophobicContact CD2-CB 4.38Å; L428-L435 HydrophobicContact CD2-CD1 3.76Å; L428-L435 HydrophobicContact CG-CD1 4.29Å; N431-L435 HydrophobicContact CB-CD1 4.4Å; N431-L435 PolarHBondContact O-N 2.77Å; Y433-L435 PolarHBondContact O-N 2.86Å; L435-W438 HydrophobicContact CD2-CE3 3.78Å; L435-W438 HydrophobicContact CD2-CZ3 3.88Å; L435-T439 WeakPolarHBondContact O-CB 3.38Å; L435-T439 PolarHBondContact O-N 2.81Å; L435-T439 VanDerWaalsContact O-N 3.09Å; L435-T439 PolarHBondContact O-OG1 3.26Å; L435-L452 HydrophobicContact CD2-CD1 4.07Å; L435-F479 HydrophobicContact CD2-CE1 4.2Å; L435-F479 HydrophobicContact CD2-CZ 4.11Å
436	A	98.4	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-45.6	174.2	0	0	0	0	0	112.1	C260 S432 Y433 W438 T439 C440 I483	C260-A436 HydrophobicContact CB-CB 4Å; C260-A436 VanDerWaalsContact SG-C 3.54Å; S432-A436 VanDerWaalsContact O-CB 3.26Å; S432-A436 WeakPolarHBondContact O-CB 3.31Å; S432-A436 PolarHBondContact O-N 3.36Å; Y433-A436 PolarHBondContact O-N 2.94Å; A436-W438 PolarHBondContact O-N 2.9Å; A436-T439 PolarHBondContact O-N 2.85Å; A436-C440 WeakPolarHBondContact O-CB 3.32Å; A436-C440 PolarHBondContact O-N 3.1Å; A436-I483 HydrophobicContact CB-CD1 4.31Å
437	R	98.4	Very high	97.7	Very high	31 Å²	31	16.7 Å²	16.7	12%	0.117	9%	0.093	C	C	.	.	H	α-helix	trans	-55.5	-52.5	175.5	-74.1	175.4	76.5	-151.3	5.6	111.3	A256 T257 C260 Y433 K434 T439 C440 C441	A256-R437 HydrophobicContact CB-CB 4.25Å; A256-R437 HydrophobicContact CB-CG 4.46Å; T257-R437 PolarHBondContact OG1-NE 2.93Å; T257-R437 PolarHBondContact OG1-NH2 3.16Å; C260-R437 HydrophobicContact CB-CG 4.39Å; Y433-R437 HydrophobicContact CD2-CG 4.19Å; Y433-R437 HydrophobicContact CE2-CG 3.92Å; Y433-R437 PolarHBondContact O-N 2.6Å; K434-R437 PolarHBondContact O-N 3.46Å; R437-T439 VanDerWaalsContact C-N 3.31Å; R437-T439 PolarHBondContact O-N 2.92Å; R437-C440 WeakPolarHBondContact O-CB 3.5Å; R437-C440 PolarHBondContact O-N 3.23Å; R437-C440 VanDerWaalsContact O-N 3.13Å; R437-C441 PolarHBondContact O-N 3.49Å; R437-C441 PolarHBondContact O-SG 3Å
438	W	98.6	Very high	97.6	Very high	16 Å²	16	20 Å²	20	6%	0.061	11%	0.108	C	C	.	.	H	α-helix	trans	-59.5	-39.2	179	-65.8	-18.1	0	0	0	113.8	L292 K397 T398 L399 K434 L435 A436 A442 L452	L292-W438 HydrophobicContact CD1-CZ2 3.97Å; L292-W438 HydrophobicContact CD2-CZ2 3.94Å; K397-W438 HydrophobicContact CB-CD2 3.59Å; K397-W438 HydrophobicContact CB-CE3 3.64Å; K397-W438 HydrophobicContact CB-CG 4.03Å; K397-W438 HydrophobicContact CB-CH2 4.35Å; K397-W438 HydrophobicContact CB-CZ2 4.26Å; K397-W438 HydrophobicContact CB-CZ3 4.05Å; K397-W438 HydrophobicContact CD-CG 4.3Å; K397-W438 HydrophobicContact CG-CB 4.1Å; K397-W438 HydrophobicContact CG-CD2 3.91Å; K397-W438 HydrophobicContact CG-CE3 4.38Å; K397-W438 HydrophobicContact CG-CG 3.77Å; T398-W438 VanDerWaalsContact O-CH2 3.23Å; T398-W438 WeakPolarHBondContact O-CH2 3.35Å; L399-W438 HydrophobicContact CD2-CH2 4.47Å; L399-W438 HydrophobicContact CD2-CZ3 4.06Å; L399-W438 HydrophobicContact CG-CZ3 4.32Å; K434-W438 HydrophobicContact CD-CH2 3.68Å; K434-W438 HydrophobicContact CD-CZ2 3.49Å; K434-W438 VanDerWaalsContact CD-CZ2 3.49Å; K434-W438 HydrophobicContact CG-CD2 4.15Å; K434-W438 HydrophobicContact CG-CE3 4.43Å; K434-W438 HydrophobicContact CG-CH2 3.72Å; K434-W438 HydrophobicContact CG-CZ2 3.41Å; K434-W438 VanDerWaalsContact CG-CZ2 3.41Å; K434-W438 HydrophobicContact CG-CZ3 4.23Å; K434-W438 PolarHBondContact O-N 3.32Å; K434-W438 VanDerWaalsContact O-N 3.13Å; L435-W438 HydrophobicContact CD2-CE3 3.78Å; L435-W438 HydrophobicContact CD2-CZ3 3.88Å; A436-W438 PolarHBondContact O-N 2.9Å; W438-A442 WeakPolarHBondContact O-CB 3.11Å; W438-A442 PolarHBondContact O-N 3.47Å; W438-L452 HydrophobicContact CE3-CD2 4.24Å; W438-L452 HydrophobicContact CZ3-CD2 4.46Å
439	T	98.5	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.5	-42	177.2	-51.2	0	0	0	0	110.5	L435 A436 R437 A442 M443 F479 A480 I483 L485	L435-T439 WeakPolarHBondContact O-CB 3.38Å; L435-T439 PolarHBondContact O-N 2.81Å; L435-T439 VanDerWaalsContact O-N 3.09Å; L435-T439 PolarHBondContact O-OG1 3.26Å; A436-T439 PolarHBondContact O-N 2.85Å; R437-T439 VanDerWaalsContact C-N 3.31Å; R437-T439 PolarHBondContact O-N 2.92Å; T439-A442 PolarHBondContact O-N 3.09Å; T439-M443 HydrophobicContact CG2-SD 4.37Å; T439-M443 VanDerWaalsContact O-CG 3.3Å; T439-M443 WeakPolarHBondContact O-CG 3.32Å; T439-M443 PolarHBondContact O-N 2.85Å; T439-F479 HydrophobicContact CG2-CD1 4.05Å; T439-F479 WeakPolarHBondContact OG1-CD1 3.45Å; T439-F479 WeakPolarHBondContact OG1-CE1 3.32Å; T439-A480 HydrophobicContact CG2-CB 3.89Å; T439-I483 HydrophobicContact CG2-CD1 4.15Å; T439-I483 WeakPolarHBondContact OG1-CD1 3.35Å; T439-L485 HydrophobicContact CG2-CD2 4.19Å
440	C	98.2	Very high	97.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-49.1	176.5	-174.2	0	0	0	0	112	A256 M259 A436 R437 A442 M443 L444 L485	A256-C440 HydrophobicContact CB-CB 3.92Å; M259-C440 PolarHBondContact SD-SG 3.43Å; A436-C440 WeakPolarHBondContact O-CB 3.32Å; A436-C440 PolarHBondContact O-N 3.1Å; R437-C440 WeakPolarHBondContact O-CB 3.5Å; R437-C440 PolarHBondContact O-N 3.23Å; R437-C440 VanDerWaalsContact O-N 3.13Å; C440-A442 VanDerWaalsContact C-N 3.34Å; C440-A442 PolarHBondContact O-N 2.87Å; C440-M443 PolarHBondContact O-N 2.9Å; C440-M443 VanDerWaalsContact O-N 3.17Å; C440-L444 WeakPolarHBondContact O-CG 3.42Å; C440-L444 PolarHBondContact O-N 3.43Å; C440-L485 HydrophobicContact CB-CD2 4.49Å
441	C	97.9	Very high	97.8	Very high	14 Å²	14	15.6 Å²	15.6	10%	0.095	9%	0.087	C	C	.	.	H	α-helix	trans	-54.8	-47.8	173.2	-59.6	0	0	0	0	111.6	A256 R437 M443 L444 A445	A256-C441 WeakPolarHBondContact CB-SG 3.48Å; R437-C441 PolarHBondContact O-N 3.49Å; R437-C441 PolarHBondContact O-SG 3Å; C441-M443 VanDerWaalsContact C-N 3.29Å; C441-M443 PolarHBondContact O-N 3.21Å; C441-L444 PolarHBondContact O-N 3.12Å; C441-A445 WeakPolarHBondContact O-CB 3.49Å; C441-A445 PolarHBondContact O-N 3.42Å
442	A	98.1	Very high	97.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.7	-30.8	-179.5	0	0	0	0	0	113.6	N395 W438 T439 C440 G446 S447 L450 P476	N395-A442 HydrophobicContact CB-CB 4.26Å; N395-A442 VanDerWaalsContact OD1-CA 3.32Å; N395-A442 WeakPolarHBondContact OD1-CA 3.2Å; N395-A442 WeakPolarHBondContact OD1-CB 3.45Å; W438-A442 WeakPolarHBondContact O-CB 3.11Å; W438-A442 PolarHBondContact O-N 3.47Å; T439-A442 PolarHBondContact O-N 3.09Å; C440-A442 VanDerWaalsContact C-N 3.34Å; C440-A442 PolarHBondContact O-N 2.87Å; A442-G446 PolarHBondContact O-N 2.96Å; A442-S447 PolarHBondContact O-N 2.85Å; A442-L450 HydrophobicContact CB-CD1 4.38Å; A442-P476 HydrophobicContact CB-CB 4.28Å; A442-P476 HydrophobicContact CB-CG 3.94Å
443	M	97.5	Very high	97.9	Very high	44 Å²	44	14.3 Å²	14.3	22%	0.217	8%	0.078	C	C	.	.	H	α-helix	trans	-73.6	-43.2	172.7	-70.3	-176.5	76.9	0	0	112.1	T439 C440 C441 G446 P476 N477 A480 M487	T439-M443 HydrophobicContact CG2-SD 4.37Å; T439-M443 VanDerWaalsContact O-CG 3.3Å; T439-M443 WeakPolarHBondContact O-CG 3.32Å; T439-M443 PolarHBondContact O-N 2.85Å; C440-M443 PolarHBondContact O-N 2.9Å; C440-M443 VanDerWaalsContact O-N 3.17Å; C441-M443 VanDerWaalsContact C-N 3.29Å; C441-M443 PolarHBondContact O-N 3.21Å; M443-G446 PolarHBondContact O-N 2.56Å; M443-G446 VanDerWaalsContact O-N 3.13Å; M443-P476 HydrophobicContact CG-CB 3.62Å; M443-N477 WeakPolarHBondContact CE-OD1 3.36Å; M443-A480 HydrophobicContact CE-CB 4.48Å; M443-A480 HydrophobicContact SD-CB 3.66Å; M443-M487 HydrophobicContact CE-CG 3.31Å; M443-M487 HydrophobicContact CE-SD 4.07Å; M443-M487 HydrophobicContact SD-CG 3.74Å; M443-M487 HydrophobicContact SD-SD 3.74Å
444	L	97.6	Very high	97.9	Very high	2 Å²	2	14 Å²	14	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-62	-42.6	175.4	-68.7	172.3	0	0	0	111.5	D252 L255 M259 R364 W366 C440 C441 G446 W491	D252-L444 HydrophobicContact CB-CD1 4.34Å; L255-L444 HydrophobicContact CB-CD1 4.1Å; M259-L444 HydrophobicContact CE-CD2 4.07Å; M259-L444 HydrophobicContact SD-CD1 4.5Å; R364-L444 WeakPolarHBondContact CD-O 3.46Å; R364-L444 PolarHBondContact NH1-O 2.88Å; W366-L444 HydrophobicContact CH2-CB 4.35Å; W366-L444 HydrophobicContact CH2-CD2 4.22Å; W366-L444 WeakPolarHBondContact CH2-O 3.26Å; W366-L444 HydrophobicContact CZ2-CD2 4.01Å; W366-L444 WeakPolarHBondContact CZ2-O 3.47Å; C440-L444 WeakPolarHBondContact O-CG 3.42Å; C440-L444 PolarHBondContact O-N 3.43Å; C441-L444 PolarHBondContact O-N 3.12Å; L444-G446 PolarHBondContact O-N 2.9Å; L444-W491 HydrophobicContact CD2-CH2 3.77Å; L444-W491 HydrophobicContact CD2-CZ2 3.75Å
445	A	97.3	Very high	97.9	Very high	2 Å²	2	13.9 Å²	13.9	2%	0.017	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19	174.8	0	0	0	0	0	114	C378 H380 C441 S447	C378-A445 HydrophobicContact CB-CB 3.85Å; H380-A445 PolarHBondContact CE1-O 3.01Å; C441-A445 WeakPolarHBondContact O-CB 3.49Å; C441-A445 PolarHBondContact O-N 3.42Å; A445-S447 VanDerWaalsContact C-N 3.31Å
446	G	96.4	Very high	97.9	Very high	45 Å²	45	14.1 Å²	14.1	46%	0.464	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	29.4	-173.3	0	0	0	0	0	113.1	A442 M443 L444	A442-G446 PolarHBondContact O-N 2.96Å; M443-G446 PolarHBondContact O-N 2.56Å; M443-G446 VanDerWaalsContact O-N 3.13Å; L444-G446 PolarHBondContact O-N 2.9Å
447	S	96.8	Very high	97.9	Very high	8 Å²	8	14.2 Å²	14.2	6%	0.056	8%	0.079	C	C	.	.			trans	-64.5	136.2	178.2	-72.3	0	0	0	0	111.4	H380 N395 A442 A445 P476	H380-S447 PolarHBondContact CE1-OG 3.4Å; H380-S447 VanDerWaalsContact CE1-OG 3.29Å; H380-S447 PolarHBondContact ND1-OG 2.9Å; N395-S447 WeakPolarHBondContact OD1-CB 3.37Å; N395-S447 PolarHBondContact OD1-OG 3.37Å; A442-S447 PolarHBondContact O-N 2.85Å; A445-S447 VanDerWaalsContact C-N 3.31Å; S447-P476 WeakPolarHBondContact O-CD 3.48Å; S447-P476 WeakPolarHBondContact O-CG 3.32Å
448	E	96.3	Very high	97.8	Very high	82 Å²	82	18.9 Å²	18.9	38%	0.383	10%	0.097	S	C	.	.	S	Bend	trans	-71	-36.6	177.3	-163.6	-172.4	148.2	0	0	110.8	S392 F393 P476	S392-E448 WeakPolarHBondContact CA-OE2 3.36Å; S392-E448 WeakPolarHBondContact CB-OE2 3.42Å; S392-E448 VanDerWaalsContact OG-CD 3.3Å; S392-E448 PolarHBondContact OG-OE2 2.96Å; F393-E448 PolarHBondContact O-N 2.85Å; E448-P476 WeakPolarHBondContact O-CD 3.39Å
449	Y	97.5	Very high	97.6	Very high	42 Å²	42	22.9 Å²	22.9	17%	0.165	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.2	178.3	-55.7	-70.4	0	0	0	114	M384 F393 I394 N395 Q473 F474 K475	M384-Y449 HydrophobicContact SD-CD2 3.78Å; M384-Y449 HydrophobicContact SD-CE2 4.36Å; F393-Y449 PolarHBondContact O-N 2.96Å; I394-Y449 VanDerWaalsContact CA-O 3.3Å; I394-Y449 WeakPolarHBondContact CA-O 3.43Å; I394-Y449 HydrophobicContact CG2-CD2 4.33Å; N395-Y449 PolarHBondContact N-O 2.76Å; Y449-Q473 HydrophobicContact CD1-CG 3.73Å; Y449-Q473 HydrophobicContact CG-CG 3.98Å; Y449-Q473 VanDerWaalsContact CG-NE2 3.27Å; Y449-F474 CarbonylContact C-O 3.39Å; Y449-F474 WeakPolarHBondContact CA-O 3.45Å; Y449-K475 HydrophobicContact CD1-CG 4.06Å; Y449-K475 HydrophobicContact CE1-CG 3.88Å
450	L	98.2	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.2	161.9	178.9	61.7	0	0	0	108.2	N395 K397 A442 L452 F474 P476 F479	N395-L450 HydrophobicContact CB-CD1 3.92Å; K397-L450 HydrophobicContact CG-CD1 4.19Å; A442-L450 HydrophobicContact CB-CD1 4.38Å; L450-L452 HydrophobicContact CD1-CD2 4.27Å; L450-L452 HydrophobicContact CD2-CD2 4.27Å; L450-L452 HydrophobicContact CG-CD2 4.06Å; L450-F474 PolarHBondContact N-O 2.99Å; L450-F474 PolarHBondContact O-N 2.85Å; L450-P476 HydrophobicContact CB-CG 4.43Å; L450-F479 HydrophobicContact CD2-CD1 3.77Å; L450-F479 HydrophobicContact CD2-CE1 4.11Å
451	K	98.1	Very high	97.1	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.3	172	-73.6	-73	-160.4	177	0	109.1	Y205 D210 I394 N395 V396 K397 Q472 Q473	Y205-K451 HydrophobicContact CE2-CD 4.36Å; Y205-K451 HydrophobicContact CE2-CG 4.3Å; D210-K451 IonicContact OD1-NZ 3.82Å; D210-K451 PolarHBondContact OD1-NZ 2.81Å; D210-K451 IonicContact OD2-NZ 2.78Å; D210-K451 PolarHBondContact OD2-NZ 2.99Å; I394-K451 HydrophobicContact CD1-CG 4.1Å; N395-K451 PolarHBondContact O-N 2.84Å; V396-K451 WeakPolarHBondContact CA-O 3.45Å; V396-K451 HydrophobicContact CG2-CB 4.3Å; K397-K451 PolarHBondContact N-O 3.16Å; K451-Q472 WeakPolarHBondContact CA-O 3.43Å; K451-Q473 HydrophobicContact CD-CB 3.95Å; K451-Q473 HydrophobicContact CD-CG 4.12Å; K451-Q473 VanDerWaalsContact CE-OE1 3.3Å
452	L	98.3	Very high	96.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.4	170.6	-60.6	-171.7	0	0	0	110.3	K397 L399 L435 W438 L450 T471 Q472 F474 F479	K397-L452 HydrophobicContact CB-CD2 4.22Å; K397-L452 VanDerWaalsContact O-CA 3.32Å; K397-L452 WeakPolarHBondContact O-CA 3.38Å; L399-L452 HydrophobicContact CD1-CD1 4.18Å; L435-L452 HydrophobicContact CD2-CD1 4.07Å; W438-L452 HydrophobicContact CE3-CD2 4.24Å; W438-L452 HydrophobicContact CZ3-CD2 4.46Å; L450-L452 HydrophobicContact CD1-CD2 4.27Å; L450-L452 HydrophobicContact CD2-CD2 4.27Å; L450-L452 HydrophobicContact CG-CD2 4.06Å; L452-T471 CarbonylContact O-C 3.58Å; L452-T471 WeakPolarHBondContact O-CA 3.42Å; L452-Q472 PolarHBondContact N-O 2.87Å; L452-Q472 PolarHBondContact O-N 3.04Å; L452-F474 HydrophobicContact CB-CE2 4.48Å; L452-F474 HydrophobicContact CD1-CD2 4.28Å; L452-F474 HydrophobicContact CD1-CE2 3.76Å; L452-F474 HydrophobicContact CG-CD2 4.29Å; L452-F474 HydrophobicContact CG-CE2 4.1Å; L452-F479 HydrophobicContact CD1-CE1 4.35Å; L452-F479 HydrophobicContact CD1-CE2 4.49Å; L452-F479 HydrophobicContact CD1-CZ 3.92Å
453	G	98.3	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	138.8	167.5	0	0	0	0	0	111.4	F326 K397 L399	F326-G453 VanDerWaalsContact CE1-CA 3.49Å; F326-G453 VanDerWaalsContact CZ-CA 3.47Å; K397-G453 PolarHBondContact O-N 2.83Å; L399-G453 PolarHBondContact N-O 3.4Å
454	Y	98.6	Very high	96.5	Very high	3 Å²	3	37 Å²	37	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	105.2	170.2	-67.4	-87.1	0	0	0	109.2	L399 W412 L416 V423 L469 G470 Q472	L399-Y454 HydrophobicContact CB-CD1 4.39Å; L399-Y454 HydrophobicContact CD1-CD1 4.37Å; L399-Y454 HydrophobicContact CD1-CE1 3.82Å; W412-Y454 HydrophobicContact CD2-CD1 4.33Å; W412-Y454 AromaticContact CE3-CD1 3.95Å; W412-Y454 HydrophobicContact CE3-CD1 3.95Å; W412-Y454 HydrophobicContact CE3-CG 4.41Å; W412-Y454 HydrophobicContact CH2-CD1 4.05Å; W412-Y454 HydrophobicContact CZ2-CD1 4.4Å; W412-Y454 AromaticContact CZ3-CD1 3.8Å; W412-Y454 HydrophobicContact CZ3-CD1 3.8Å; W412-Y454 HydrophobicContact CZ3-CG 4.32Å; L416-Y454 HydrophobicContact CD1-CD1 3.84Å; L416-Y454 HydrophobicContact CD1-CD2 3.95Å; L416-Y454 HydrophobicContact CD1-CE1 3.92Å; L416-Y454 HydrophobicContact CD1-CE2 4.01Å; L416-Y454 HydrophobicContact CD1-CG 3.85Å; L416-Y454 HydrophobicContact CD2-CD2 4.2Å; L416-Y454 HydrophobicContact CD2-CG 3.92Å; V423-Y454 HydrophobicContact CG1-CD1 4.37Å; V423-Y454 HydrophobicContact CG1-CE1 3.97Å; Y454-L469 PolarHBondContact O-N 2.94Å; Y454-G470 PolarHBondContact N-O 3.39Å; Y454-Q472 HydrophobicContact CE2-CB 3.81Å; Y454-Q472 PolarHBondContact OH-OE1 2.8Å
455	V	98.6	Very high	96.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.5	179.4	177.9	0	0	0	0	110.2	L220 I322 F326 T398 L399 N400 E401 W412 H466 V467 I468	L220-V455 HydrophobicContact CD1-CG2 4.34Å; L220-V455 HydrophobicContact CD2-CG1 4.26Å; I322-V455 HydrophobicContact CD1-CG1 4.48Å; I322-V455 HydrophobicContact CG1-CG1 4.49Å; I322-V455 HydrophobicContact CG2-CB 3.78Å; I322-V455 HydrophobicContact CG2-CG1 3.72Å; I322-V455 HydrophobicContact CG2-CG2 4.06Å; F326-V455 HydrophobicContact CD2-CG2 4.07Å; F326-V455 HydrophobicContact CG-CG2 4.43Å; T398-V455 HydrophobicContact CG2-CB 4.07Å; T398-V455 HydrophobicContact CG2-CG2 3.5Å; L399-V455 PolarHBondContact O-N 2.72Å; N400-V455 CarbonylContact C-O 3.55Å; N400-V455 VanDerWaalsContact CA-O 3.29Å; N400-V455 WeakPolarHBondContact CA-O 3.37Å; E401-V455 PolarHBondContact N-O 2.88Å; W412-V455 VanDerWaalsContact CZ3-O 3.31Å; W412-V455 WeakPolarHBondContact CZ3-O 3.3Å; V455-H466 HydrophobicContact CG1-CB 3.62Å; V455-V467 WeakPolarHBondContact CA-O 3.2Å; V455-I468 HydrophobicContact CG2-CG1 4.17Å
456	S	98.3	Very high	96.5	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.6	177.4	-178.7	0	0	0	0	110.2	E401 R413 H466 V467	E401-S456 VanDerWaalsContact OE2-CB 3.25Å; E401-S456 WeakPolarHBondContact OE2-CB 3.21Å; E401-S456 PolarHBondContact OE2-OG 2.84Å; R413-S456 PolarHBondContact NH1-OG 3.05Å; S456-H466 CarbonylContact O-C 3.29Å; S456-H466 VanDerWaalsContact O-CA 3.3Å; S456-H466 WeakPolarHBondContact O-CA 3.49Å; S456-V467 PolarHBondContact N-O 3.05Å; S456-V467 PolarHBondContact O-N 2.92Å
457	R	98	Very high	96.5	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	144.7	166.3	-70.5	-178.9	-178.8	162.2	-2.7	109.9	F309 N310 E318 E401 R413 H459 V460	F309-R457 PolarHBondContact O-NH2 2.6Å; F309-R457 VanDerWaalsContact O-NH2 3.15Å; N310-R457 PolarHBondContact OD1-NH1 3.33Å; N310-R457 PolarHBondContact OD1-NH2 3.26Å; N310-R457 VanDerWaalsContact OD1-NH2 3.17Å; E318-R457 WeakPolarHBondContact OE1-CG 3.38Å; E318-R457 IonicContact OE1-CZ 3.9Å; E318-R457 IonicContact OE1-NE 2.74Å; E318-R457 PolarHBondContact OE1-NE 3.43Å; E318-R457 IonicContact OE1-NH2 3.71Å; E318-R457 IonicContact OE2-CZ 2.72Å; E318-R457 IonicContact OE2-NE 2.89Å; E318-R457 PolarHBondContact OE2-NE 2.96Å; E318-R457 IonicContact OE2-NH2 3.34Å; E318-R457 PolarHBondContact OE2-NH2 2.89Å; E401-R457 PolarHBondContact O-N 3.04Å; E401-R457 VanDerWaalsContact O-N 3.13Å; R413-R457 PolarHBondContact NH2-O 3.32Å; R457-H459 VanDerWaalsContact C-N 3.27Å; R457-H459 PolarHBondContact O-N 3.13Å; R457-V460 PolarHBondContact NH1-O 3.38Å; R457-V460 VanDerWaalsContact NH1-O 3.12Å
458	Y	95.9	Very high	96.6	Very high	128 Å²	128	40.2 Å²	40.2	50%	0.502	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-36.7	174.8	-178.2	-99.2	0	0	0	111.1	R465 V467	Y458-R465 WeakPolarHBondContact CB-O 3.46Å; Y458-R465 PolarHBondContact N-O 3.07Å; Y458-V467 HydrophobicContact CD2-CG1 3.95Å
459	H	95.6	Very high	96.7	Very high	100 Å²	100	36.3 Å²	36.3	46%	0.463	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136	171.9	177.7	-98.7	0	0	0	108.8	R457 K461 D462	R457-H459 VanDerWaalsContact C-N 3.27Å; R457-H459 PolarHBondContact O-N 3.13Å; H459-K461 PolarHBondContact ND1-N 2.89Å; H459-K461 PolarHBondContact O-N 2.82Å; H459-D462 HydrophobicContact CB-CB 4.24Å; H459-D462 PolarHBondContact O-N 2.72Å
460	V	92.9	Very high	96.7	Very high	45 Å²	45	34.4 Å²	34.4	27%	0.273	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.1	-171	-62.5	0	0	0	0	115.3	D403 R457	D403-V460 HydrophobicContact CB-CB 4.35Å; R457-V460 PolarHBondContact NH1-O 3.38Å; R457-V460 VanDerWaalsContact NH1-O 3.12Å
461	K	93	Very high	96.7	Very high	149 Å²	149	34.8 Å²	34.8	65%	0.648	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	11.7	175.6	-52.7	-172.3	178.6	-176.6	0	114.6	F309 H459	F309-K461 HydrophobicContact CZ-CB 4.27Å; H459-K461 PolarHBondContact ND1-N 2.89Å; H459-K461 PolarHBondContact O-N 2.82Å
462	D	93.1	Very high	96.6	Very high	32 Å²	32	36.7 Å²	36.7	17%	0.171	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	100.8	-176.5	179.1	5.6	0	0	0	109.3	H459 S464 R465	H459-D462 HydrophobicContact CB-CB 4.24Å; H459-D462 PolarHBondContact O-N 2.72Å; D462-S464 VanDerWaalsContact C-N 3.29Å; D462-S464 WeakPolarHBondContact OD1-CB 3.46Å; D462-S464 PolarHBondContact OD1-N 2.96Å; D462-S464 PolarHBondContact OD1-OG 3.18Å; D462-R465 IonicContact OD2-CZ 3.94Å; D462-R465 IonicContact OD2-NE 3.15Å; D462-R465 PolarHBondContact OD2-NE 3.14Å; D462-R465 IonicContact OD2-NH2 3.9Å; D462-R465 PolarHBondContact OD2-NH2 2.98Å
463	S	93.5	Very high	96.5	Very high	44 Å²	44	40.1 Å²	40.1	31%	0.308	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	2.3	176.4	52.1	0	0	0	0	113.6	E318 H466	E318-S463 WeakPolarHBondContact OE2-CB 3.3Å; S463-H466 PolarHBondContact O-CE1 3.37Å; S463-H466 PolarHBondContact O-NE2 2.97Å
464	S	93.4	Very high	96.5	Very high	86 Å²	86	40.7 Å²	40.7	60%	0.601	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89	-17.2	-177.7	73.8	0	0	0	0	114.2	D462	D462-S464 VanDerWaalsContact C-N 3.29Å; D462-S464 WeakPolarHBondContact OD1-CB 3.46Å; D462-S464 PolarHBondContact OD1-N 2.96Å; D462-S464 PolarHBondContact OD1-OG 3.18Å
465	R	96.3	Very high	96.5	Very high	112 Å²	112	45.1 Å²	45.1	42%	0.423	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.2	-174.7	-66.5	179.9	-62.6	152.9	2.5	111.2	Y458 D462	Y458-R465 WeakPolarHBondContact CB-O 3.46Å; Y458-R465 PolarHBondContact N-O 3.07Å; D462-R465 IonicContact OD2-CZ 3.94Å; D462-R465 IonicContact OD2-NE 3.15Å; D462-R465 PolarHBondContact OD2-NE 3.14Å; D462-R465 IonicContact OD2-NH2 3.9Å; D462-R465 PolarHBondContact OD2-NH2 2.98Å
466	H	98.4	Very high	96.4	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.3	-178.5	-46.5	88	0	0	0	111.7	L220 E318 V455 S456 S463	L220-H466 HydrophobicContact CB-CB 3.91Å; L220-H466 WeakPolarHBondContact CB-O 3.33Å; L220-H466 HydrophobicContact CD2-CB 3.92Å; L220-H466 PolarHBondContact N-O 3.03Å; E318-H466 IonicContact OE1-CD2 2.64Å; E318-H466 IonicContact OE1-CE1 2.9Å; E318-H466 IonicContact OE1-NE2 3.06Å; E318-H466 PolarHBondContact OE1-NE2 3.47Å; V455-H466 HydrophobicContact CG1-CB 3.62Å; S456-H466 CarbonylContact O-C 3.29Å; S456-H466 VanDerWaalsContact O-CA 3.3Å; S456-H466 WeakPolarHBondContact O-CA 3.49Å; S463-H466 PolarHBondContact O-CE1 3.37Å; S463-H466 PolarHBondContact O-NE2 2.97Å
467	V	98.3	Very high	96.4	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.4	176.6	-63.3	0	0	0	0	110.3	E217 V455 S456 Y458 L469	E217-V467 HydrophobicContact CB-CB 4.35Å; V455-V467 WeakPolarHBondContact CA-O 3.2Å; S456-V467 PolarHBondContact N-O 3.05Å; S456-V467 PolarHBondContact O-N 2.92Å; Y458-V467 HydrophobicContact CD2-CG1 3.95Å; V467-L469 HydrophobicContact CG2-CD2 3.87Å
468	I	98.6	Very high	96.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.1	174.8	-52.9	169.2	0	0	0	106.8	F209 I212 E217 K218 L220 F326 V455	F209-I468 HydrophobicContact CD1-CD1 4.34Å; F209-I468 HydrophobicContact CE1-CD1 3.76Å; I212-I468 HydrophobicContact CD1-CG2 4.09Å; I212-I468 HydrophobicContact CG2-CG2 4.41Å; I212-I468 WeakPolarHBondContact CG2-O 3.42Å; E217-I468 WeakPolarHBondContact CA-O 3.17Å; E217-I468 WeakPolarHBondContact CB-O 3.18Å; K218-I468 HydrophobicContact CB-CB 4.43Å; K218-I468 PolarHBondContact N-O 2.76Å; K218-I468 VanDerWaalsContact N-O 3.07Å; K218-I468 WeakPolarHBondContact O-CB 3.25Å; K218-I468 PolarHBondContact O-N 3.41Å; L220-I468 HydrophobicContact CD1-CD1 4.13Å; L220-I468 HydrophobicContact CD1-CG1 4Å; F326-I468 HydrophobicContact CD2-CD1 3.88Å; F326-I468 HydrophobicContact CD2-CG1 4.07Å; F326-I468 HydrophobicContact CD2-CG2 4.42Å; F326-I468 HydrophobicContact CE2-CD1 4.01Å; F326-I468 HydrophobicContact CE2-CG1 4.27Å; F326-I468 HydrophobicContact CE2-CG2 3.83Å; V455-I468 HydrophobicContact CG2-CG1 4.17Å
469	L	98.1	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-18.7	-179.7	-61.4	-173.7	0	0	0	112.9	T213 T214 E217 W412 R413 L416 Y454 V467	T213-L469 CarbonylContact C-O 3.56Å; T213-L469 WeakPolarHBondContact CA-O 3.5Å; T214-L469 HydrophobicContact CG2-CB 4.43Å; T214-L469 PolarHBondContact N-O 2.91Å; E217-L469 HydrophobicContact CB-CD2 3.95Å; E217-L469 VanDerWaalsContact OE2-CD2 3.24Å; E217-L469 WeakPolarHBondContact OE2-CD2 3.4Å; W412-L469 HydrophobicContact CB-CD1 3.64Å; W412-L469 HydrophobicContact CE3-CD1 4.35Å; R413-L469 HydrophobicContact CG-CD1 3.81Å; R413-L469 HydrophobicContact CG-CD2 3.94Å; L416-L469 HydrophobicContact CD2-CB 3.74Å; Y454-L469 PolarHBondContact O-N 2.94Å; V467-L469 HydrophobicContact CG2-CD2 3.87Å
470	G	97.5	Very high	96.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	177.9	176.2	0	0	0	0	0	112.6	Y454	Y454-G470 PolarHBondContact N-O 3.39Å
471	T	97.8	Very high	96.7	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	158.6	172.6	63.9	0	0	0	0	110.4	F209 D210 F326 L452	F209-T471 HydrophobicContact CB-CG2 4.15Å; F209-T471 PolarHBondContact O-OG1 3.24Å; D210-T471 WeakPolarHBondContact CA-OG1 3.27Å; D210-T471 PolarHBondContact OD1-OG1 3.41Å; F326-T471 HydrophobicContact CE2-CG2 4.36Å; F326-T471 HydrophobicContact CZ-CG2 3.8Å; L452-T471 CarbonylContact O-C 3.58Å; L452-T471 WeakPolarHBondContact O-CA 3.42Å
472	Q	96.4	Very high	96.8	Very high	40 Å²	40	44.7 Å²	44.7	19%	0.187	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.9	171	-172.2	170.8	-1	0	0	110.1	K451 L452 Y454 F474	K451-Q472 WeakPolarHBondContact CA-O 3.43Å; L452-Q472 PolarHBondContact N-O 2.87Å; L452-Q472 PolarHBondContact O-N 3.04Å; Y454-Q472 HydrophobicContact CE2-CB 3.81Å; Y454-Q472 PolarHBondContact OH-OE1 2.8Å; Q472-F474 HydrophobicContact CB-CE2 4.05Å; Q472-F474 HydrophobicContact CG-CD2 4.28Å; Q472-F474 HydrophobicContact CG-CE1 4.43Å; Q472-F474 HydrophobicContact CG-CE2 3.55Å; Q472-F474 HydrophobicContact CG-CZ 3.67Å
473	Q	96.7	Very high	96.9	Very high	73 Å²	73	43.7 Å²	43.7	34%	0.341	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138	-178.7	-175.5	173.1	-32.9	0	0	109.3	Y449 K451	Y449-Q473 HydrophobicContact CD1-CG 3.73Å; Y449-Q473 HydrophobicContact CG-CG 3.98Å; Y449-Q473 VanDerWaalsContact CG-NE2 3.27Å; K451-Q473 HydrophobicContact CD-CB 3.95Å; K451-Q473 HydrophobicContact CD-CG 4.12Å; K451-Q473 VanDerWaalsContact CE-OE1 3.3Å
474	F	97.6	Very high	97	Very high	12 Å²	12	48.3 Å²	48.3	5%	0.053	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155	173.2	-56.8	-94.8	0	0	0	109.7	L424 Y449 L450 L452 Q472 F479	L424-F474 HydrophobicContact CD1-CZ 4.3Å; L424-F474 HydrophobicContact CD2-CE1 3.95Å; L424-F474 HydrophobicContact CD2-CZ 3.71Å; Y449-F474 CarbonylContact C-O 3.39Å; Y449-F474 WeakPolarHBondContact CA-O 3.45Å; L450-F474 PolarHBondContact N-O 2.99Å; L450-F474 PolarHBondContact O-N 2.85Å; L452-F474 HydrophobicContact CB-CE2 4.48Å; L452-F474 HydrophobicContact CD1-CD2 4.28Å; L452-F474 HydrophobicContact CD1-CE2 3.76Å; L452-F474 HydrophobicContact CG-CD2 4.29Å; L452-F474 HydrophobicContact CG-CE2 4.1Å; Q472-F474 HydrophobicContact CB-CE2 4.05Å; Q472-F474 HydrophobicContact CG-CD2 4.28Å; Q472-F474 HydrophobicContact CG-CE1 4.43Å; Q472-F474 HydrophobicContact CG-CE2 3.55Å; Q472-F474 HydrophobicContact CG-CZ 3.67Å; F474-F479 HydrophobicContact CB-CB 3.93Å; F474-F479 HydrophobicContact CB-CD2 4.32Å; F474-F479 HydrophobicContact CB-CG 4.25Å; F474-F479 HydrophobicContact CD1-CB 4.4Å; F474-F479 AromaticContact CD1-CD2 3.49Å; F474-F479 HydrophobicContact CD1-CD2 3.49Å; F474-F479 VanDerWaalsContact CD1-CD2 3.49Å; F474-F479 HydrophobicContact CD1-CE2 4.14Å; F474-F479 HydrophobicContact CD1-CG 4.24Å; F474-F479 HydrophobicContact CD2-CD2 4.15Å; F474-F479 HydrophobicContact CD2-CE2 4.36Å; F474-F479 AromaticContact CE1-CD2 3.64Å; F474-F479 HydrophobicContact CE1-CD2 3.64Å; F474-F479 AromaticContact CE1-CE2 3.85Å; F474-F479 HydrophobicContact CE1-CE2 3.85Å; F474-F479 HydrophobicContact CE2-CD2 4.3Å; F474-F479 HydrophobicContact CE2-CE2 4.11Å; F474-F479 HydrophobicContact CG-CB 4.29Å; F474-F479 AromaticContact CG-CD2 3.75Å; F474-F479 HydrophobicContact CG-CD2 3.75Å; F474-F479 HydrophobicContact CG-CE2 4.37Å; F474-F479 HydrophobicContact CG-CG 4.14Å; F474-F479 HydrophobicContact CZ-CD2 4.03Å; F474-F479 AromaticContact CZ-CE2 3.81Å; F474-F479 HydrophobicContact CZ-CE2 3.81Å
475	K	97.9	Very high	97.2	Very high	96 Å²	96	45 Å²	45	42%	0.417	23%	0.226	S	C	.	.			trans	-83.1	136.3	158.5	-66.1	-173.9	179.6	177.1	0	108.8	Y449 N477 E478 F479	Y449-K475 HydrophobicContact CD1-CG 4.06Å; Y449-K475 HydrophobicContact CE1-CG 3.88Å; K475-N477 VanDerWaalsContact C-N 3.3Å; K475-N477 PolarHBondContact O-N 2.99Å; K475-E478 HydrophobicContact CB-CB 4.37Å; K475-E478 HydrophobicContact CB-CG 4.13Å; K475-E478 PolarHBondContact O-N 3.22Å; K475-E478 VanDerWaalsContact O-N 3.14Å; K475-F479 PolarHBondContact O-N 2.73Å
476	P	97.8	Very high	97.2	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-54.7	-40.7	-176.7	-30.4	37.8	0	0	0	114.3	A442 M443 S447 E448 L450 E478 F479 A480	A442-P476 HydrophobicContact CB-CB 4.28Å; A442-P476 HydrophobicContact CB-CG 3.94Å; M443-P476 HydrophobicContact CG-CB 3.62Å; S447-P476 WeakPolarHBondContact O-CD 3.48Å; S447-P476 WeakPolarHBondContact O-CG 3.32Å; E448-P476 WeakPolarHBondContact O-CD 3.39Å; L450-P476 HydrophobicContact CB-CG 4.43Å; P476-E478 PolarHBondContact O-N 3.47Å; P476-F479 PolarHBondContact O-N 3.27Å; P476-A480 WeakPolarHBondContact O-CB 3.34Å; P476-A480 PolarHBondContact O-N 3.19Å
477	N	96.8	Very high	97	Very high	111 Å²	111	42.9 Å²	42.9	59%	0.594	23%	0.225	S	C	*	.	H	α-helix	trans	-62.4	-42.4	178.3	-61.8	-6.9	0	0	0	113	M443 K475 S481	M443-N477 WeakPolarHBondContact CE-OD1 3.36Å; K475-N477 VanDerWaalsContact C-N 3.3Å; K475-N477 PolarHBondContact O-N 2.99Å; N477-S481 PolarHBondContact O-N 3.32Å; N477-S481 PolarHBondContact O-OG 2.82Å
478	E	97.1	Very high	96.9	Very high	101 Å²	101	46.7 Å²	46.7	47%	0.472	24%	0.243	S	C	.	.	H	α-helix	trans	-68	-40.2	177.2	-65.7	173.8	-171	0	0	110.7	K475 P476 S481 Q482	K475-E478 HydrophobicContact CB-CB 4.37Å; K475-E478 HydrophobicContact CB-CG 4.13Å; K475-E478 PolarHBondContact O-N 3.22Å; K475-E478 VanDerWaalsContact O-N 3.14Å; P476-E478 PolarHBondContact O-N 3.47Å; E478-S481 WeakPolarHBondContact O-CB 3.31Å; E478-S481 PolarHBondContact O-N 2.66Å; E478-Q482 WeakPolarHBondContact O-CG 3.24Å; E478-Q482 PolarHBondContact O-N 3.34Å
479	F	97.7	Very high	96.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69.2	-43.9	178.3	-163.5	-122	0	0	0	111.9	L424 L428 L435 T439 L450 L452 F474 K475 P476 S481 Q482 I483	L424-F479 HydrophobicContact CD1-CE2 4.13Å; L424-F479 HydrophobicContact CD1-CZ 4.34Å; L424-F479 HydrophobicContact CD2-CE2 4.32Å; L428-F479 HydrophobicContact CD2-CZ 4.38Å; L435-F479 HydrophobicContact CD2-CE1 4.2Å; L435-F479 HydrophobicContact CD2-CZ 4.11Å; T439-F479 HydrophobicContact CG2-CD1 4.05Å; T439-F479 WeakPolarHBondContact OG1-CD1 3.45Å; T439-F479 WeakPolarHBondContact OG1-CE1 3.32Å; L450-F479 HydrophobicContact CD2-CD1 3.77Å; L450-F479 HydrophobicContact CD2-CE1 4.11Å; L452-F479 HydrophobicContact CD1-CE1 4.35Å; L452-F479 HydrophobicContact CD1-CE2 4.49Å; L452-F479 HydrophobicContact CD1-CZ 3.92Å; F474-F479 HydrophobicContact CB-CB 3.93Å; F474-F479 HydrophobicContact CB-CD2 4.32Å; F474-F479 HydrophobicContact CB-CG 4.25Å; F474-F479 HydrophobicContact CD1-CB 4.4Å; F474-F479 AromaticContact CD1-CD2 3.49Å; F474-F479 HydrophobicContact CD1-CD2 3.49Å; F474-F479 VanDerWaalsContact CD1-CD2 3.49Å; F474-F479 HydrophobicContact CD1-CE2 4.14Å; F474-F479 HydrophobicContact CD1-CG 4.24Å; F474-F479 HydrophobicContact CD2-CD2 4.15Å; F474-F479 HydrophobicContact CD2-CE2 4.36Å; F474-F479 AromaticContact CE1-CD2 3.64Å; F474-F479 HydrophobicContact CE1-CD2 3.64Å; F474-F479 AromaticContact CE1-CE2 3.85Å; F474-F479 HydrophobicContact CE1-CE2 3.85Å; F474-F479 HydrophobicContact CE2-CD2 4.3Å; F474-F479 HydrophobicContact CE2-CE2 4.11Å; F474-F479 HydrophobicContact CG-CB 4.29Å; F474-F479 AromaticContact CG-CD2 3.75Å; F474-F479 HydrophobicContact CG-CD2 3.75Å; F474-F479 HydrophobicContact CG-CE2 4.37Å; F474-F479 HydrophobicContact CG-CG 4.14Å; F474-F479 HydrophobicContact CZ-CD2 4.03Å; F474-F479 AromaticContact CZ-CE2 3.81Å; F474-F479 HydrophobicContact CZ-CE2 3.81Å; K475-F479 PolarHBondContact O-N 2.73Å; P476-F479 PolarHBondContact O-N 3.27Å; F479-S481 PolarHBondContact O-N 3.21Å; F479-Q482 WeakPolarHBondContact O-CA 3.36Å; F479-Q482 WeakPolarHBondContact O-CB 3.3Å; F479-Q482 PolarHBondContact O-N 2.89Å; F479-I483 HydrophobicContact CD1-CG2 4.07Å; F479-I483 HydrophobicContact CD2-CG2 4.12Å; F479-I483 HydrophobicContact CE1-CG2 3.78Å; F479-I483 HydrophobicContact CE2-CG2 3.84Å; F479-I483 HydrophobicContact CG-CG2 4.22Å; F479-I483 HydrophobicContact CZ-CG2 3.66Å; F479-I483 VanDerWaalsContact O-CG2 3.3Å; F479-I483 WeakPolarHBondContact O-CG2 3.09Å; F479-I483 PolarHBondContact O-N 2.89Å
480	A	97.4	Very high	96.8	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-51.3	-43.9	173.2	0	0	0	0	0	111.5	T439 M443 P476 I483 N484 L485	T439-A480 HydrophobicContact CG2-CB 3.89Å; M443-A480 HydrophobicContact CE-CB 4.48Å; M443-A480 HydrophobicContact SD-CB 3.66Å; P476-A480 WeakPolarHBondContact O-CB 3.34Å; P476-A480 PolarHBondContact O-N 3.19Å; A480-I483 WeakPolarHBondContact O-CG1 3.43Å; A480-I483 PolarHBondContact O-N 3.13Å; A480-N484 PolarHBondContact O-N 2.94Å; A480-L485 HydrophobicContact CB-CB 4.37Å; A480-L485 PolarHBondContact O-N 3.05Å
481	S	96.4	Very high	96.8	Very high	94 Å²	94	48.7 Å²	48.7	66%	0.657	25%	0.252	S	S	*	.	H	α-helix	trans	-64.1	-46.2	175.3	-56	0	0	0	0	112.2	N477 E478 F479 I483 N484	N477-S481 PolarHBondContact O-N 3.32Å; N477-S481 PolarHBondContact O-OG 2.82Å; E478-S481 WeakPolarHBondContact O-CB 3.31Å; E478-S481 PolarHBondContact O-N 2.66Å; F479-S481 PolarHBondContact O-N 3.21Å; S481-I483 VanDerWaalsContact C-N 3.31Å; S481-I483 PolarHBondContact O-N 3.31Å; S481-N484 PolarHBondContact O-N 2.86Å
482	Q	94.9	Very high	96.8	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-35.1	176.9	-71.4	173.1	28.9	0	0	113.3	E478 F479 N484	E478-Q482 WeakPolarHBondContact O-CG 3.24Å; E478-Q482 PolarHBondContact O-N 3.34Å; F479-Q482 WeakPolarHBondContact O-CA 3.36Å; F479-Q482 WeakPolarHBondContact O-CB 3.3Å; F479-Q482 PolarHBondContact O-N 2.89Å; Q482-N484 VanDerWaalsContact C-N 3.33Å
483	I	96.4	Very high	96.9	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.056	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3.9	-179.8	78.5	174.6	0	0	0	113.4	R263 L428 A436 T439 F479 A480 S481 L485	R263-I483 PolarHBondContact NH1-O 3.22Å; R263-I483 VanDerWaalsContact NH1-O 3.07Å; R263-I483 PolarHBondContact NH2-O 3.34Å; L428-I483 HydrophobicContact CD1-CG2 4.26Å; L428-I483 HydrophobicContact CD2-CB 3.77Å; L428-I483 HydrophobicContact CD2-CG2 3.17Å; L428-I483 HydrophobicContact CG-CG2 4.36Å; A436-I483 HydrophobicContact CB-CD1 4.31Å; T439-I483 HydrophobicContact CG2-CD1 4.15Å; T439-I483 WeakPolarHBondContact OG1-CD1 3.35Å; F479-I483 HydrophobicContact CD1-CG2 4.07Å; F479-I483 HydrophobicContact CD2-CG2 4.12Å; F479-I483 HydrophobicContact CE1-CG2 3.78Å; F479-I483 HydrophobicContact CE2-CG2 3.84Å; F479-I483 HydrophobicContact CG-CG2 4.22Å; F479-I483 HydrophobicContact CZ-CG2 3.66Å; F479-I483 VanDerWaalsContact O-CG2 3.3Å; F479-I483 WeakPolarHBondContact O-CG2 3.09Å; F479-I483 PolarHBondContact O-N 2.89Å; A480-I483 WeakPolarHBondContact O-CG1 3.43Å; A480-I483 PolarHBondContact O-N 3.13Å; S481-I483 VanDerWaalsContact C-N 3.31Å; S481-I483 PolarHBondContact O-N 3.31Å; I483-L485 VanDerWaalsContact C-N 3.34Å; I483-L485 HydrophobicContact CD1-CB 3.92Å; I483-L485 HydrophobicContact CD1-CD2 4.16Å; I483-L485 HydrophobicContact CG1-CB 3.67Å; I483-L485 PolarHBondContact O-N 3.34Å
484	N	96.2	Very high	96.9	Very high	141 Å²	141	43 Å²	43	75%	0.754	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	40.3	-174.7	-167.7	38.3	0	0	0	113.8	R263 A480 S481 Q482	R263-N484 PolarHBondContact NH2-O 2.88Å; A480-N484 PolarHBondContact O-N 2.94Å; S481-N484 PolarHBondContact O-N 2.86Å; Q482-N484 VanDerWaalsContact C-N 3.33Å
485	L	96.3	Very high	96.8	Very high	18 Å²	18	44.3 Å²	44.3	9%	0.094	23%	0.23	C	C	.	.			trans	-96	109.2	173.6	178.1	65	0	0	0	109.2	T439 C440 A480 I483	T439-L485 HydrophobicContact CG2-CD2 4.19Å; C440-L485 HydrophobicContact CB-CD2 4.49Å; A480-L485 HydrophobicContact CB-CB 4.37Å; A480-L485 PolarHBondContact O-N 3.05Å; I483-L485 VanDerWaalsContact C-N 3.34Å; I483-L485 HydrophobicContact CD1-CB 3.92Å; I483-L485 HydrophobicContact CD1-CD2 4.16Å; I483-L485 HydrophobicContact CG1-CB 3.67Å; I483-L485 PolarHBondContact O-N 3.34Å
486	S	96.3	Very high	96.7	Very high	41 Å²	41	40.6 Å²	40.6	29%	0.287	22%	0.216	S	C	.	.			trans	-89.7	118.5	172.1	166.2	0	0	0	0	109.5	E488 N489 A490	S486-E488 PolarHBondContact O-N 3.32Å; S486-E488 WeakPolarHBondContact OG-CB 3.37Å; S486-E488 PolarHBondContact OG-N 3.39Å; S486-N489 PolarHBondContact O-N 3.42Å; S486-N489 PolarHBondContact OG-N 3.12Å; S486-A490 PolarHBondContact O-N 3.02Å
487	M	94.8	Very high	96.7	Very high	32 Å²	32	40.3 Å²	40.3	16%	0.158	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-30	174.4	-71.6	-55	-65.9	0	0	112.3	M259 M443 N489 A490 W491	M259-M487 HydrophobicContact SD-CE 4.04Å; M443-M487 HydrophobicContact CE-CG 3.31Å; M443-M487 HydrophobicContact CE-SD 4.07Å; M443-M487 HydrophobicContact SD-CG 3.74Å; M443-M487 HydrophobicContact SD-SD 3.74Å; M487-N489 PolarHBondContact O-N 2.78Å; M487-A490 HydrophobicContact CE-CB 4.35Å; M487-A490 WeakPolarHBondContact O-CB 3.33Å; M487-A490 PolarHBondContact O-N 2.97Å; M487-A490 HydrophobicContact SD-CB 4.21Å; M487-W491 WeakPolarHBondContact O-CB 3.46Å; M487-W491 PolarHBondContact O-N 3.28Å
488	E	96.4	Very high	96.7	Very high	85 Å²	85	35 Å²	35	40%	0.397	19%	0.186	S	C	.	.	H	α-helix	trans	-57.7	-39.7	173.4	-44.6	170.1	169.9	0	0	111.2	R186 Y187 M188 S486 G492	R186-E488 CarbonylContact C-O 3.54Å; R186-E488 WeakPolarHBondContact CA-O 3.44Å; Y187-E488 PolarHBondContact N-O 3.35Å; Y187-E488 WeakPolarHBondContact O-CA 3.27Å; M188-E488 HydrophobicContact CE-CG 3.94Å; M188-E488 WeakPolarHBondContact CE-OE1 3.36Å; M188-E488 HydrophobicContact SD-CB 3.71Å; M188-E488 HydrophobicContact SD-CG 3.45Å; M188-E488 WeakPolarHBondContact SD-CG 3.33Å; S486-E488 PolarHBondContact O-N 3.32Å; S486-E488 WeakPolarHBondContact OG-CB 3.37Å; S486-E488 PolarHBondContact OG-N 3.39Å; E488-G492 PolarHBondContact O-N 3.21Å
489	N	97.5	Very high	96.6	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.118	18%	0.175	C	C	.	.	H	α-helix	trans	-73.9	-42.5	175.2	179.5	-130.2	0	0	0	111.9	L182 M183 M185 R186 S486 M487 W491 G492 I493	L182-N489 PolarHBondContact O-ND2 3.24Å; M183-N489 PolarHBondContact O-ND2 2.86Å; M185-N489 WeakPolarHBondContact O-CA 3.3Å; M185-N489 PolarHBondContact O-ND2 3.15Å; R186-N489 PolarHBondContact NH1-ND2 2.84Å; S486-N489 PolarHBondContact O-N 3.42Å; S486-N489 PolarHBondContact OG-N 3.12Å; M487-N489 PolarHBondContact O-N 2.78Å; N489-W491 PolarHBondContact O-N 2.86Å; N489-G492 PolarHBondContact O-N 3.29Å; N489-I493 VanDerWaalsContact O-CG1 3.31Å; N489-I493 WeakPolarHBondContact O-CG1 3.35Å; N489-I493 PolarHBondContact O-N 2.87Å
490	A	97.6	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.2	-50	175.9	0	0	0	0	0	112.2	M259 S486 M487 I493 L494	M259-A490 HydrophobicContact CB-CB 3.83Å; M259-A490 HydrophobicContact CG-CB 3.99Å; M259-A490 HydrophobicContact SD-CB 3.89Å; S486-A490 PolarHBondContact O-N 3.02Å; M487-A490 HydrophobicContact CE-CB 4.35Å; M487-A490 WeakPolarHBondContact O-CB 3.33Å; M487-A490 PolarHBondContact O-N 2.97Å; M487-A490 HydrophobicContact SD-CB 4.21Å; A490-I493 PolarHBondContact O-N 3.48Å; A490-L494 PolarHBondContact O-N 3.37Å
491	W	97.8	Very high	96.5	Very high	21 Å²	21	33.2 Å²	33.2	8%	0.08	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-38.4	175	-71.8	120.8	0	0	0	112.4	Y187 V190 M259 W366 L368 L374 L444 M487 N489 I493 L494 R495	Y187-W491 HydrophobicContact CD1-CB 4.27Å; V190-W491 HydrophobicContact CG1-CD2 4.25Å; V190-W491 HydrophobicContact CG1-CH2 4.45Å; V190-W491 HydrophobicContact CG1-CZ2 3.96Å; V190-W491 HydrophobicContact CG2-CB 4.02Å; V190-W491 HydrophobicContact CG2-CD2 3.9Å; V190-W491 HydrophobicContact CG2-CE3 4.49Å; V190-W491 HydrophobicContact CG2-CG 3.67Å; M259-W491 HydrophobicContact CE-CD2 3.72Å; M259-W491 HydrophobicContact CE-CE3 3.4Å; M259-W491 VanDerWaalsContact CE-CE3 3.4Å; M259-W491 HydrophobicContact CE-CH2 3.68Å; M259-W491 HydrophobicContact CE-CZ2 3.97Å; M259-W491 HydrophobicContact CE-CZ3 3.38Å; W366-W491 AromaticContact CD1-CH2 3.99Å; W366-W491 HydrophobicContact CD2-CH2 4.14Å; W366-W491 HydrophobicContact CG-CH2 4.06Å; W366-W491 AromaticContact NE1-CH2 3.99Å; W366-W491 AromaticContact NE1-CZ2 3.84Å; L368-W491 HydrophobicContact CD1-CE3 4.2Å; L368-W491 HydrophobicContact CD1-CZ3 4.07Å; L368-W491 HydrophobicContact CD2-CE3 3.84Å; L368-W491 HydrophobicContact CD2-CZ3 3.9Å; L374-W491 HydrophobicContact CD2-CH2 4.14Å; L374-W491 HydrophobicContact CD2-CZ3 3.67Å; L444-W491 HydrophobicContact CD2-CH2 3.77Å; L444-W491 HydrophobicContact CD2-CZ2 3.75Å; M487-W491 WeakPolarHBondContact O-CB 3.46Å; M487-W491 PolarHBondContact O-N 3.28Å; N489-W491 PolarHBondContact O-N 2.86Å; W491-I493 VanDerWaalsContact C-N 3.34Å; W491-I493 PolarHBondContact O-N 2.74Å; W491-L494 HydrophobicContact CE3-CD2 4.02Å; W491-L494 HydrophobicContact CZ3-CD2 3.85Å; W491-L494 PolarHBondContact O-N 2.81Å; W491-R495 VanDerWaalsContact O-CB 3.27Å; W491-R495 WeakPolarHBondContact O-CB 3.38Å; W491-R495 PolarHBondContact O-N 3.23Å
492	G	97.4	Very high	96.4	Very high	4 Å²	4	30.6 Å²	30.6	4%	0.041	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-37.3	174.4	0	0	0	0	0	113.7	E488 N489 C496	E488-G492 PolarHBondContact O-N 3.21Å; N489-G492 PolarHBondContact O-N 3.29Å; G492-C496 WeakPolarHBondContact O-CB 3.48Å; G492-C496 PolarHBondContact O-N 2.83Å; G492-C496 VanDerWaalsContact O-N 3.13Å
493	I	97.8	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-50.2	173.4	-71.6	166.1	0	0	0	110	L182 M185 L258 T262 N489 A490 W491 R495 C496 V497	L182-I493 HydrophobicContact CB-CD1 4.32Å; L182-I493 HydrophobicContact CB-CG1 4.15Å; L182-I493 HydrophobicContact CD2-CG1 4.37Å; L182-I493 HydrophobicContact CD2-CG2 4.39Å; L182-I493 WeakPolarHBondContact O-CG1 3.45Å; M185-I493 HydrophobicContact CB-CG1 4.34Å; L258-I493 WeakPolarHBondContact O-CG2 3.09Å; T262-I493 HydrophobicContact CG2-CD1 3.84Å; N489-I493 VanDerWaalsContact O-CG1 3.31Å; N489-I493 WeakPolarHBondContact O-CG1 3.35Å; N489-I493 PolarHBondContact O-N 2.87Å; A490-I493 PolarHBondContact O-N 3.48Å; W491-I493 VanDerWaalsContact C-N 3.34Å; W491-I493 PolarHBondContact O-N 2.74Å; I493-R495 PolarHBondContact O-N 3.45Å; I493-C496 PolarHBondContact O-N 2.87Å; I493-V497 WeakPolarHBondContact O-CG2 3.2Å; I493-V497 PolarHBondContact O-N 2.94Å; I493-V497 VanDerWaalsContact O-N 3.09Å
494	L	97.4	Very high	96.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-46	179.7	179.1	59.2	0	0	0	111.8	L255 L258 M259 L374 A490 W491 C496 V497 I498	L255-L494 HydrophobicContact CD1-CD2 4.16Å; L255-L494 HydrophobicContact CD2-CD1 3.78Å; L255-L494 HydrophobicContact CD2-CD2 3.99Å; L258-L494 HydrophobicContact CD1-CD1 4.06Å; M259-L494 HydrophobicContact CE-CB 4.39Å; M259-L494 HydrophobicContact CE-CD2 3.48Å; M259-L494 VanDerWaalsContact CE-CD2 3.48Å; M259-L494 HydrophobicContact CG-CB 4.33Å; L374-L494 HydrophobicContact CD2-CD2 3.99Å; A490-L494 PolarHBondContact O-N 3.37Å; W491-L494 HydrophobicContact CE3-CD2 4.02Å; W491-L494 HydrophobicContact CZ3-CD2 3.85Å; W491-L494 PolarHBondContact O-N 2.81Å; L494-C496 PolarHBondContact O-N 2.82Å; L494-V497 PolarHBondContact O-N 2.84Å; L494-V497 VanDerWaalsContact O-N 3.16Å; L494-I498 HydrophobicContact CD1-CD1 3.89Å; L494-I498 HydrophobicContact CD1-CG1 4.13Å; L494-I498 HydrophobicContact CD2-CD1 4.41Å; L494-I498 HydrophobicContact CG-CD1 3.77Å; L494-I498 HydrophobicContact CG-CG1 4.43Å; L494-I498 WeakPolarHBondContact O-CG1 3.36Å; L494-I498 PolarHBondContact O-N 3.25Å
495	R	95.9	Very high	96.3	Very high	38 Å²	38	33.3 Å²	33.3	14%	0.143	17%	0.165	C	C	.	.	H	α-helix	trans	-56.7	-47.9	176.9	178.6	62.7	-167.4	-138.9	30.2	111.3	Y187 L368 D371 W491 I493 V497 I498 D499	Y187-R495 HydrophobicContact CD2-CG 4.26Å; Y187-R495 HydrophobicContact CE2-CG 4.48Å; Y187-R495 HydrophobicContact CG-CB 4.44Å; L368-R495 PolarHBondContact O-NH1 3.29Å; D371-R495 IonicContact OD1-CZ 2.81Å; D371-R495 IonicContact OD1-NH1 3.51Å; D371-R495 IonicContact OD1-NH2 3.77Å; D371-R495 PolarHBondContact OD1-NH2 2.93Å; D371-R495 IonicContact OD2-NH2 2.73Å; D371-R495 PolarHBondContact OD2-NH2 2.87Å; W491-R495 VanDerWaalsContact O-CB 3.27Å; W491-R495 WeakPolarHBondContact O-CB 3.38Å; W491-R495 PolarHBondContact O-N 3.23Å; I493-R495 PolarHBondContact O-N 3.45Å; R495-V497 VanDerWaalsContact C-N 3.31Å; R495-V497 PolarHBondContact O-N 3.41Å; R495-I498 PolarHBondContact O-N 3.39Å; R495-D499 IonicContact CZ-OD1 2.8Å; R495-D499 IonicContact CZ-OD2 3.57Å; R495-D499 VanDerWaalsContact NE-CG 3.28Å; R495-D499 IonicContact NE-OD1 3.88Å; R495-D499 PolarHBondContact NE-OD1 2.78Å; R495-D499 IonicContact NE-OD2 3.51Å; R495-D499 PolarHBondContact NE-OD2 3.21Å; R495-D499 IonicContact NH2-OD1 3.34Å; R495-D499 PolarHBondContact NH2-OD1 3.26Å; R495-D499 WeakPolarHBondContact O-CB 3.26Å; R495-D499 VanDerWaalsContact O-CG 3.24Å; R495-D499 PolarHBondContact O-N 2.77Å
496	C	95.9	Very high	96.3	Very high	18 Å²	18	38.3 Å²	38.3	12%	0.122	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-42.3	177	-173.7	0	0	0	0	112.3	M185 G492 I493 L494 I500	M185-C496 HydrophobicContact CE-CB 4.27Å; M185-C496 HydrophobicContact SD-CB 4.45Å; G492-C496 WeakPolarHBondContact O-CB 3.48Å; G492-C496 PolarHBondContact O-N 2.83Å; G492-C496 VanDerWaalsContact O-N 3.13Å; I493-C496 PolarHBondContact O-N 2.87Å; L494-C496 PolarHBondContact O-N 2.82Å; C496-I500 VanDerWaalsContact O-CD1 3.27Å; C496-I500 WeakPolarHBondContact O-CD1 3.4Å; C496-I500 VanDerWaalsContact O-CG1 3.26Å; C496-I500 WeakPolarHBondContact O-CG1 3.42Å; C496-I500 PolarHBondContact O-N 3.33Å; C496-I500 VanDerWaalsContact O-N 3.12Å
497	V	96.8	Very high	96.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-44.8	178.4	170.3	0	0	0	0	111.4	M177 F281 I493 L494 R495 I500 C501 I511	M177-V497 HydrophobicContact CE-CG2 4.38Å; F281-V497 HydrophobicContact CE1-CG1 3.96Å; F281-V497 HydrophobicContact CZ-CG1 4.23Å; I493-V497 WeakPolarHBondContact O-CG2 3.2Å; I493-V497 PolarHBondContact O-N 2.94Å; I493-V497 VanDerWaalsContact O-N 3.09Å; L494-V497 PolarHBondContact O-N 2.84Å; L494-V497 VanDerWaalsContact O-N 3.16Å; R495-V497 VanDerWaalsContact C-N 3.31Å; R495-V497 PolarHBondContact O-N 3.41Å; V497-I500 PolarHBondContact O-N 3.03Å; V497-C501 PolarHBondContact O-N 2.87Å; V497-C501 PolarHBondContact O-SG 3.03Å; V497-I511 HydrophobicContact CG1-CD1 3.44Å; V497-I511 VanDerWaalsContact CG1-CD1 3.44Å
498	I	96.8	Very high	96.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-46.8	176.9	-65.8	166.8	0	0	0	110.8	V248 L279 F281 L368 I372 L494 R495 I500 C501 R502	V248-I498 HydrophobicContact CG1-CD1 4.13Å; V248-I498 HydrophobicContact CG1-CG1 4.38Å; V248-I498 HydrophobicContact CG2-CD1 4.32Å; V248-I498 HydrophobicContact CG2-CG2 3.89Å; L279-I498 HydrophobicContact CD1-CG2 4.08Å; F281-I498 HydrophobicContact CE2-CG1 4.21Å; F281-I498 HydrophobicContact CZ-CG1 4.1Å; L368-I498 HydrophobicContact CD1-CD1 4.42Å; I372-I498 HydrophobicContact CD1-CB 4.29Å; I372-I498 HydrophobicContact CD1-CG2 3.58Å; I372-I498 HydrophobicContact CG1-CG2 4.07Å; I372-I498 HydrophobicContact CG2-CD1 4.43Å; L494-I498 HydrophobicContact CD1-CD1 3.89Å; L494-I498 HydrophobicContact CD1-CG1 4.13Å; L494-I498 HydrophobicContact CD2-CD1 4.41Å; L494-I498 HydrophobicContact CG-CD1 3.77Å; L494-I498 HydrophobicContact CG-CG1 4.43Å; L494-I498 WeakPolarHBondContact O-CG1 3.36Å; L494-I498 PolarHBondContact O-N 3.25Å; R495-I498 PolarHBondContact O-N 3.39Å; I498-I500 PolarHBondContact O-N 3.41Å; I498-C501 PolarHBondContact O-N 3.16Å; I498-C501 VanDerWaalsContact O-N 3.12Å; I498-R502 HydrophobicContact CG2-CG 4.25Å; I498-R502 WeakPolarHBondContact O-CG 3.47Å; I498-R502 PolarHBondContact O-N 3.41Å
499	D	95.6	Very high	96.2	Very high	46 Å²	46	35.7 Å²	35.7	25%	0.246	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-24.6	179.3	-70	-26.7	0	0	0	113.1	R495 K503	R495-D499 IonicContact CZ-OD1 2.8Å; R495-D499 IonicContact CZ-OD2 3.57Å; R495-D499 VanDerWaalsContact NE-CG 3.28Å; R495-D499 IonicContact NE-OD1 3.88Å; R495-D499 PolarHBondContact NE-OD1 2.78Å; R495-D499 IonicContact NE-OD2 3.51Å; R495-D499 PolarHBondContact NE-OD2 3.21Å; R495-D499 IonicContact NH2-OD1 3.34Å; R495-D499 PolarHBondContact NH2-OD1 3.26Å; R495-D499 WeakPolarHBondContact O-CB 3.26Å; R495-D499 VanDerWaalsContact O-CG 3.24Å; R495-D499 PolarHBondContact O-N 2.77Å; D499-K503 WeakPolarHBondContact O-CD 3.31Å; D499-K503 WeakPolarHBondContact O-CE 3.36Å; D499-K503 WeakPolarHBondContact O-CG 3.45Å; D499-K503 PolarHBondContact O-NZ 2.99Å
500	I	95.9	Very high	96.2	Very high	20 Å²	20	34.6 Å²	34.6	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-74.7	-55.3	169.4	-70.1	157.1	0	0	0	109.2	E175 M177 C496 V497 I498 R502 K503 L504 V522	E175-I500 HydrophobicContact CB-CG2 4.22Å; E175-I500 HydrophobicContact CG-CD1 3.93Å; E175-I500 HydrophobicContact CG-CG2 4.46Å; M177-I500 HydrophobicContact CE-CD1 3.61Å; M177-I500 HydrophobicContact CG-CD1 4.5Å; M177-I500 HydrophobicContact SD-CD1 3.41Å; M177-I500 WeakPolarHBondContact SD-CD1 3.48Å; C496-I500 VanDerWaalsContact O-CD1 3.27Å; C496-I500 WeakPolarHBondContact O-CD1 3.4Å; C496-I500 VanDerWaalsContact O-CG1 3.26Å; C496-I500 WeakPolarHBondContact O-CG1 3.42Å; C496-I500 PolarHBondContact O-N 3.33Å; C496-I500 VanDerWaalsContact O-N 3.12Å; V497-I500 PolarHBondContact O-N 3.03Å; I498-I500 PolarHBondContact O-N 3.41Å; I500-R502 VanDerWaalsContact C-N 3.26Å; I500-R502 PolarHBondContact O-N 3.14Å; I500-K503 WeakPolarHBondContact O-CB 2.95Å; I500-K503 PolarHBondContact O-N 2.86Å; I500-L504 HydrophobicContact CG2-CD1 4.13Å; I500-L504 HydrophobicContact CG2-CG 4.47Å; I500-V522 HydrophobicContact CG2-CG2 4.38Å
501	C	95.9	Very high	96.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-32.9	-175.1	-60.7	0	0	0	0	113.2	V272 L279 V497 I498 K503	V272-C501 HydrophobicContact CG1-CB 4.33Å; L279-C501 HydrophobicContact CD1-CB 3.77Å; L279-C501 HydrophobicContact CD2-CB 3.99Å; V497-C501 PolarHBondContact O-N 2.87Å; V497-C501 PolarHBondContact O-SG 3.03Å; I498-C501 PolarHBondContact O-N 3.16Å; I498-C501 VanDerWaalsContact O-N 3.12Å; C501-K503 PolarHBondContact O-N 2.99Å
502	R	94.3	Very high	96.2	Very high	39 Å²	39	33.9 Å²	33.9	15%	0.147	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.7	174.1	-70.9	-167.3	113.6	162.4	13.6	114.8	N247 R274 N277 L279 D371 I498 I500	N247-R502 PolarHBondContact ND2-NH2 3.04Å; N247-R502 VanDerWaalsContact ND2-NH2 3.12Å; R274-R502 PolarHBondContact NH1-O 3.23Å; R274-R502 VanDerWaalsContact NH1-O 3.1Å; R274-R502 PolarHBondContact NH2-O 2.95Å; N277-R502 PolarHBondContact OD1-NH2 3.4Å; L279-R502 HydrophobicContact CD1-CG 3.74Å; D371-R502 VanDerWaalsContact C-NH1 3.34Å; D371-R502 PolarHBondContact O-NH1 3.24Å; D371-R502 PolarHBondContact O-NH2 3.09Å; D371-R502 IonicContact OD2-NH1 2.62Å; D371-R502 PolarHBondContact OD2-NH1 3.41Å; I498-R502 HydrophobicContact CG2-CG 4.25Å; I498-R502 WeakPolarHBondContact O-CG 3.47Å; I498-R502 PolarHBondContact O-N 3.41Å; I500-R502 VanDerWaalsContact C-N 3.26Å; I500-R502 PolarHBondContact O-N 3.14Å
503	K	94.8	Very high	96.2	Very high	159 Å²	159	33.9 Å²	33.9	69%	0.691	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-11.2	-179	-66.1	169.9	-172.6	161.4	0	114.4	D499 I500 C501 D505	D499-K503 WeakPolarHBondContact O-CD 3.31Å; D499-K503 WeakPolarHBondContact O-CE 3.36Å; D499-K503 WeakPolarHBondContact O-CG 3.45Å; D499-K503 PolarHBondContact O-NZ 2.99Å; I500-K503 WeakPolarHBondContact O-CB 2.95Å; I500-K503 PolarHBondContact O-N 2.86Å; C501-K503 PolarHBondContact O-N 2.99Å; K503-D505 PolarHBondContact O-N 2.84Å
504	L	95.3	Very high	96.1	Very high	30 Å²	30	34.7 Å²	34.7	16%	0.157	17%	0.172	C	C	.	.	S	Bend	trans	-89.1	17.9	-163.4	-66.9	179.4	0	0	0	116.6	K174 I500 Y509 V522	K174-L504 HydrophobicContact CB-CD1 4.15Å; K174-L504 HydrophobicContact CB-CD2 3.81Å; K174-L504 HydrophobicContact CD-CD2 4.32Å; K174-L504 HydrophobicContact CG-CD1 4.42Å; K174-L504 HydrophobicContact CG-CD2 4.16Å; I500-L504 HydrophobicContact CG2-CD1 4.13Å; I500-L504 HydrophobicContact CG2-CG 4.47Å; L504-Y509 HydrophobicContact CB-CE1 3.84Å; L504-Y509 HydrophobicContact CD1-CD1 4.05Å; L504-Y509 HydrophobicContact CD1-CE1 4.16Å; L504-Y509 PolarHBondContact O-OH 3.2Å; L504-V522 HydrophobicContact CD1-CG1 3.8Å
505	D	95.7	Very high	96	Very high	125 Å²	125	35.5 Å²	35.5	67%	0.668	18%	0.177	S	C	*	.			trans	58.7	-170.8	-163.8	-53.3	-42.8	0	0	0	113.5	R274 K503 Y509	R274-D505 WeakPolarHBondContact CD-O 3.5Å; R274-D505 PolarHBondContact NE-O 3.25Å; R274-D505 VanDerWaalsContact NH1-C 3.33Å; R274-D505 PolarHBondContact NH1-O 3.07Å; K503-D505 PolarHBondContact O-N 2.84Å; D505-Y509 PolarHBondContact O-OH 3.26Å
506	E	95.9	Very high	95.8	Very high	122 Å²	122	37.8 Å²	37.8	57%	0.57	19%	0.192	S	C	*	.	S	Bend	trans	-92.8	149.2	-176.7	-63.3	-171.4	-147.5	0	0	112.1	R274 G276 Y509	R274-E506 HydrophobicContact CG-CG 4.4Å; G276-E506 VanDerWaalsContact CA-CD 3.49Å; G276-E506 VanDerWaalsContact CA-OE1 3.28Å; G276-E506 WeakPolarHBondContact CA-OE1 3.39Å; G276-E506 PolarHBondContact N-OE1 3.44Å; G276-E506 PolarHBondContact N-OE2 3.39Å; E506-Y509 PolarHBondContact O-OH 3.02Å
507	G	93.9	Very high	95.7	Very high	29 Å²	29	42.7 Å²	42.7	30%	0.299	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	146	-168.8	-177.8	0	0	0	0	0	115.3	R274 Y509	R274-G507 PolarHBondContact N-O 2.9Å; R274-G507 PolarHBondContact O-N 3.38Å; R274-G507 VanDerWaalsContact O-N 3.16Å; G507-Y509 WeakPolarHBondContact O-CE2 3.39Å
508	K	95.3	Very high	95.6	Very high	67 Å²	67	49.1 Å²	49.1	29%	0.291	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.6	174.4	-67.4	-175.5	-179.5	-178.9	0	110.7	Q273 L525	Q273-K508 HydrophobicContact CG-CG 4.44Å; K508-L525 HydrophobicContact CB-CB 4.25Å; K508-L525 HydrophobicContact CB-CD1 4.37Å; K508-L525 WeakPolarHBondContact O-CB 3.39Å; K508-L525 PolarHBondContact O-N 3.17Å
509	Y	96.9	Very high	95.7	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	161.3	179.2	-54.9	-88.6	0	0	0	110.8	I271 V272 R274 L504 D505 E506 G507 Y523	I271-Y509 WeakPolarHBondContact CA-O 3.43Å; V272-Y509 PolarHBondContact N-O 2.8Å; V272-Y509 PolarHBondContact O-N 3.48Å; R274-Y509 HydrophobicContact CB-CE2 4.26Å; L504-Y509 HydrophobicContact CB-CE1 3.84Å; L504-Y509 HydrophobicContact CD1-CD1 4.05Å; L504-Y509 HydrophobicContact CD1-CE1 4.16Å; L504-Y509 PolarHBondContact O-OH 3.2Å; D505-Y509 PolarHBondContact O-OH 3.26Å; E506-Y509 PolarHBondContact O-OH 3.02Å; G507-Y509 WeakPolarHBondContact O-CE2 3.39Å; Y509-Y523 CarbonylContact C-O 3.51Å; Y509-Y523 WeakPolarHBondContact CA-O 3.5Å; Y509-Y523 WeakPolarHBondContact CB-O 3.31Å
510	L	96.9	Very high	95.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.3	175.3	-165.7	81.3	0	0	0	110.9	V165 W171 D269 I271 L512 V522 Y523 L525 F530	V165-L510 HydrophobicContact CG1-CD2 3.7Å; W171-L510 HydrophobicContact CE3-CD2 4.38Å; W171-L510 HydrophobicContact CH2-CD2 3.95Å; W171-L510 HydrophobicContact CZ3-CD2 3.53Å; D269-L510 HydrophobicContact CB-CD1 3.98Å; D269-L510 HydrophobicContact CB-CD2 4.15Å; D269-L510 HydrophobicContact CB-CG 4.12Å; I271-L510 HydrophobicContact CG1-CD1 3.87Å; L510-L512 HydrophobicContact CD2-CB 4.12Å; L510-V522 CarbonylContact O-C 3.58Å; L510-V522 WeakPolarHBondContact O-CA 3.44Å; L510-Y523 PolarHBondContact N-O 2.6Å; L510-Y523 PolarHBondContact O-N 3.39Å; L510-L525 HydrophobicContact CB-CD1 4.13Å; L510-L525 HydrophobicContact CB-CD2 3.97Å; L510-L525 HydrophobicContact CB-CG 4.16Å; L510-F530 HydrophobicContact CD1-CE2 4.17Å
511	I	98.1	Very high	95.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.1	166.6	-56.7	175.3	0	0	0	107.4	L258 W268 D269 I270 V272 F281 V497 I520 R521 V522	L258-I511 HydrophobicContact CD2-CD1 4.02Å; L258-I511 HydrophobicContact CD2-CG2 4.26Å; W268-I511 HydrophobicContact CH2-CG2 4.1Å; W268-I511 HydrophobicContact CZ3-CG2 4.04Å; D269-I511 CarbonylContact C-O 3.51Å; D269-I511 VanDerWaalsContact CA-O 3.24Å; D269-I511 WeakPolarHBondContact CA-O 3.42Å; I270-I511 HydrophobicContact CB-CB 4.47Å; I270-I511 PolarHBondContact N-O 3.27Å; I270-I511 PolarHBondContact O-N 3.14Å; V272-I511 HydrophobicContact CG2-CD1 3.67Å; V272-I511 HydrophobicContact CG2-CG1 3.91Å; F281-I511 HydrophobicContact CD1-CD1 4.48Å; F281-I511 HydrophobicContact CE1-CD1 3.93Å; V497-I511 HydrophobicContact CG1-CD1 3.44Å; V497-I511 VanDerWaalsContact CG1-CD1 3.44Å; I511-I520 HydrophobicContact CG2-CD1 4.49Å; I511-R521 WeakPolarHBondContact CA-O 3.49Å; I511-V522 HydrophobicContact CG1-CG2 4.41Å
512	L	97.8	Very high	95.9	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.4	-178.5	172.7	64.4	0	0	0	111.2	V165 V167 S267 D269 L510 I520 R521 Y523	V165-L512 HydrophobicContact CG1-CD1 4.35Å; V165-L512 HydrophobicContact CG1-CD2 4.43Å; V167-L512 HydrophobicContact CG2-CD2 3.37Å; S267-L512 WeakPolarHBondContact OG-CD1 3.48Å; D269-L512 HydrophobicContact CB-CD1 4.03Å; L510-L512 HydrophobicContact CD2-CB 4.12Å; L512-I520 CarbonylContact O-C 3.58Å; L512-I520 WeakPolarHBondContact O-CA 3.43Å; L512-R521 PolarHBondContact N-O 2.59Å; L512-R521 PolarHBondContact O-N 2.76Å; L512-Y523 HydrophobicContact CB-CD2 4.21Å; L512-Y523 HydrophobicContact CB-CE2 4Å; L512-Y523 HydrophobicContact CD2-CE2 3.93Å; L512-Y523 HydrophobicContact CG-CE2 4.49Å
513	K	97.8	Very high	96.1	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.022	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.9	167	-164.1	-47.9	-152.6	124.3	0	109.4	F179 S264 V265 N266 S267 W268 I520	F179-K513 HydrophobicContact CZ-CD 4.32Å; F179-K513 HydrophobicContact CZ-CG 4.31Å; S264-K513 WeakPolarHBondContact OG-CG 3.4Å; V265-K513 VanDerWaalsContact C-NZ 3.31Å; V265-K513 PolarHBondContact O-NZ 2.66Å; N266-K513 WeakPolarHBondContact O-CE 3.01Å; N266-K513 PolarHBondContact O-NZ 3.08Å; S267-K513 WeakPolarHBondContact CB-O 3.37Å; S267-K513 PolarHBondContact OG-O 3.2Å; W268-K513 HydrophobicContact CD2-CB 3.9Å; W268-K513 HydrophobicContact CG-CB 4.05Å; W268-K513 HydrophobicContact CZ2-CB 3.92Å; W268-K513 HydrophobicContact CZ2-CG 4.19Å; W268-K513 PolarHBondContact O-N 3.01Å; K513-I520 HydrophobicContact CB-CG2 4.1Å; K513-I520 HydrophobicContact CG-CG2 4.12Å
514	D	96.2	Very high	96.1	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.091	20%	0.204	C	C	.	.			trans	-59	123.5	174.7	-174.9	-51.9	0	0	0	111.7	N516 K517 V519 R521	D514-N516 PolarHBondContact O-N 3.02Å; D514-N516 VanDerWaalsContact O-N 3.11Å; D514-N516 PolarHBondContact OD1-N 2.86Å; D514-K517 HydrophobicContact CB-CB 4.11Å; D514-K517 VanDerWaalsContact O-O 3.05Å; D514-K517 PolarHBondContact OD1-N 2.96Å; D514-K517 WeakPolarHBondContact OD2-CD 3.42Å; D514-K517 IonicContact OD2-NZ 2.69Å; D514-V519 HydrophobicContact CB-CG1 3.53Å; D514-V519 PolarHBondContact N-O 3.1Å; D514-V519 VanDerWaalsContact N-O 3.1Å; D514-R521 IonicContact OD2-CZ 3.71Å; D514-R521 IonicContact OD2-NH1 3.02Å; D514-R521 PolarHBondContact OD2-NH1 3.47Å; D514-R521 IonicContact OD2-NH2 3.74Å
515	P	93.5	Very high	96	Very high	17 Å²	17	39.4 Å²	39.4	11%	0.11	20%	0.199	C	C	.	.	S	Bend	trans	-59	-27.5	-176.6	20	-32.5	0	0	0	114.8	R161 D162	R161-P515 HydrophobicContact CB-CB 3.86Å; R161-P515 VanDerWaalsContact O-CB 3.27Å; R161-P515 WeakPolarHBondContact O-CB 3.13Å; D162-P515 WeakPolarHBondContact O-CB 3.47Å
516	N	92.5	Very high	95.8	Very high	85 Å²	85	35.7 Å²	35.7	46%	0.455	18%	0.182	S	C	.	.	S	Bend	trans	-119.3	-7.8	-168.5	-66.6	-68.4	0	0	0	113.7	P160 R161 D514	P160-N516 WeakPolarHBondContact CA-OD1 3.43Å; R161-N516 PolarHBondContact N-OD1 3.06Å; R161-N516 PolarHBondContact O-ND2 2.86Å; D514-N516 PolarHBondContact O-N 3.02Å; D514-N516 VanDerWaalsContact O-N 3.11Å; D514-N516 PolarHBondContact OD1-N 2.86Å
517	K	94	Very high	95	Very high	122 Å²	122	39.2 Å²	39.2	53%	0.53	20%	0.198	S	C	.	.	S	Bend	trans	-122.8	155.2	176.7	-58.6	175.3	-165.2	153.3	0	111.6	D514 V519	D514-K517 HydrophobicContact CB-CB 4.11Å; D514-K517 VanDerWaalsContact O-O 3.05Å; D514-K517 PolarHBondContact OD1-N 2.96Å; D514-K517 WeakPolarHBondContact OD2-CD 3.42Å; D514-K517 IonicContact OD2-NZ 2.69Å; K517-V519 HydrophobicContact CB-CG1 3.75Å; K517-V519 PolarHBondContact O-N 3.04Å
518	Q	95.6	Very high	94.2	Very high	135 Å²	135	40.3 Å²	40.3	63%	0.631	21%	0.21	S	C	*	.	S	Bend	trans	-85.6	64.1	176.3	-72	-175.6	-30.9	0	0	110.9	F179	F179-Q518 HydrophobicContact CB-CB 4.15Å; F179-Q518 VanDerWaalsContact CD1-C 3.4Å; F179-Q518 HydrophobicContact CD1-CB 4.35Å; F179-Q518 VanDerWaalsContact CD1-O 3.3Å; F179-Q518 WeakPolarHBondContact CD1-O 3.39Å; F179-Q518 HydrophobicContact CD2-CB 3.67Å; F179-Q518 HydrophobicContact CD2-CG 3.94Å; F179-Q518 HydrophobicContact CE2-CB 4.11Å; F179-Q518 HydrophobicContact CE2-CG 4.15Å; F179-Q518 HydrophobicContact CG-CB 3.8Å; F179-Q518 PolarHBondContact N-O 3.4Å
519	V	96.9	Very high	93.5	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	143.8	-173.1	72.8	0	0	0	0	110.6	E176 M177 D514 K517	E176-V519 HydrophobicContact CG-CG2 3.31Å; M177-V519 WeakPolarHBondContact O-CA 2.85Å; M177-V519 VanDerWaalsContact O-CG2 3.27Å; M177-V519 WeakPolarHBondContact O-CG2 3.41Å; D514-V519 HydrophobicContact CB-CG1 3.53Å; D514-V519 PolarHBondContact N-O 3.1Å; D514-V519 VanDerWaalsContact N-O 3.1Å; K517-V519 HydrophobicContact CB-CG1 3.75Å; K517-V519 PolarHBondContact O-N 3.04Å
520	I	97.9	Very high	92.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.5	165.1	61.1	176.7	0	0	0	109.3	M177 F179 L182 W268 I511 L512 K513	M177-I520 HydrophobicContact CB-CD1 4.46Å; M177-I520 HydrophobicContact CB-CG1 3.89Å; M177-I520 HydrophobicContact CE-CD1 3.91Å; M177-I520 HydrophobicContact CE-CG1 4.13Å; M177-I520 PolarHBondContact N-O 2.72Å; M177-I520 PolarHBondContact O-N 2.87Å; F179-I520 HydrophobicContact CE1-CG2 4.29Å; L182-I520 HydrophobicContact CD1-CD1 3.76Å; L182-I520 HydrophobicContact CD1-CG1 3.97Å; W268-I520 HydrophobicContact CH2-CG2 4.04Å; W268-I520 HydrophobicContact CZ2-CG2 3.88Å; I511-I520 HydrophobicContact CG2-CD1 4.49Å; L512-I520 CarbonylContact O-C 3.58Å; L512-I520 WeakPolarHBondContact O-CA 3.43Å; K513-I520 HydrophobicContact CB-CG2 4.1Å; K513-I520 HydrophobicContact CG-CG2 4.12Å
521	R	97.6	Very high	90.8	Very high	27 Å²	27	43.3 Å²	43.3	10%	0.102	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.8	176.2	-71.4	-179.8	-176.7	87.8	19.6	110	E175 E176 I511 L512 D514 Y523	E175-R521 WeakPolarHBondContact O-CA 3.41Å; E176-R521 HydrophobicContact CB-CG 4.27Å; E176-R521 HydrophobicContact CG-CG 4.02Å; E176-R521 IonicContact OE1-NH2 3.94Å; E176-R521 PolarHBondContact OE1-NH2 3.25Å; E176-R521 IonicContact OE2-CZ 2.74Å; E176-R521 IonicContact OE2-NE 3.02Å; E176-R521 PolarHBondContact OE2-NE 3.39Å; E176-R521 IonicContact OE2-NH2 3.91Å; E176-R521 PolarHBondContact OE2-NH2 3.17Å; I511-R521 WeakPolarHBondContact CA-O 3.49Å; L512-R521 PolarHBondContact N-O 2.59Å; L512-R521 PolarHBondContact O-N 2.76Å; D514-R521 IonicContact OD2-CZ 3.71Å; D514-R521 IonicContact OD2-NH1 3.02Å; D514-R521 PolarHBondContact OD2-NH1 3.47Å; D514-R521 IonicContact OD2-NH2 3.74Å; R521-Y523 HydrophobicContact CB-CD2 4.09Å; R521-Y523 HydrophobicContact CB-CE2 3.53Å; R521-Y523 WeakPolarHBondContact CD-OH 3.37Å; R521-Y523 HydrophobicContact CG-CE2 4.47Å
522	V	97.8	Very high	88	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.6	167.5	-171.1	0	0	0	0	107.5	K174 E175 M177 I500 L504 L510 I511	K174-V522 PolarHBondContact N-O 2.91Å; E175-V522 HydrophobicContact CB-CB 4.44Å; E175-V522 HydrophobicContact CB-CG2 4.36Å; E175-V522 PolarHBondContact N-O 3.2Å; E175-V522 PolarHBondContact O-N 2.89Å; M177-V522 HydrophobicContact CE-CG2 4.03Å; I500-V522 HydrophobicContact CG2-CG2 4.38Å; L504-V522 HydrophobicContact CD1-CG1 3.8Å; L510-V522 CarbonylContact O-C 3.58Å; L510-V522 WeakPolarHBondContact O-CA 3.44Å; I511-V522 HydrophobicContact CG1-CG2 4.41Å
523	Y	97.1	Very high	85.2	Confident	20 Å²	20	53.6 Å²	53.6	8%	0.078	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	144.5	173.2	-66.1	-95.3	0	0	0	109.9	V167 W171 E172 V173 Y509 L510 L512 R521	V167-Y523 HydrophobicContact CG1-CE1 3.74Å; W171-Y523 HydrophobicContact CB-CD1 3.86Å; W171-Y523 HydrophobicContact CE3-CD1 4.28Å; W171-Y523 HydrophobicContact CE3-CG 4.25Å; E172-Y523 CarbonylContact O-C 3.52Å; E172-Y523 VanDerWaalsContact O-CA 3.26Å; E172-Y523 WeakPolarHBondContact O-CA 3.49Å; V173-Y523 HydrophobicContact CG2-CD1 3.86Å; V173-Y523 HydrophobicContact CG2-CE1 3.43Å; V173-Y523 VanDerWaalsContact CG2-CE1 3.43Å; Y509-Y523 CarbonylContact C-O 3.51Å; Y509-Y523 WeakPolarHBondContact CA-O 3.5Å; Y509-Y523 WeakPolarHBondContact CB-O 3.31Å; L510-Y523 PolarHBondContact N-O 2.6Å; L510-Y523 PolarHBondContact O-N 3.39Å; L512-Y523 HydrophobicContact CB-CD2 4.21Å; L512-Y523 HydrophobicContact CB-CE2 4Å; L512-Y523 HydrophobicContact CD2-CE2 3.93Å; L512-Y523 HydrophobicContact CG-CE2 4.49Å; R521-Y523 HydrophobicContact CB-CD2 4.09Å; R521-Y523 HydrophobicContact CB-CE2 3.53Å; R521-Y523 WeakPolarHBondContact CD-OH 3.37Å; R521-Y523 HydrophobicContact CG-CE2 4.47Å
524	S	96	Very high	82.2	Confident	26 Å²	26	61.3 Å²	61.3	18%	0.182	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134.4	160.5	-158.8	0	0	0	0	108.7	E172 K174	E172-S524 PolarHBondContact N-O 2.89Å; E172-S524 PolarHBondContact O-N 2.99Å; K174-S524 VanDerWaalsContact CE-CB 3.41Å
525	L	93.2	Very high	79.2	Confident	13 Å²	13	68.6 Å²	68.6	7%	0.068	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-102.6	138.9	178.2	-58.4	177.9	0	0	0	109.8	W171 K508 L510 T529 F530	W171-L525 HydrophobicContact CD2-CD2 3.65Å; W171-L525 HydrophobicContact CE3-CD2 4.03Å; W171-L525 HydrophobicContact CG-CD2 4.12Å; W171-L525 HydrophobicContact CH2-CD2 4.25Å; W171-L525 HydrophobicContact CZ2-CD2 3.86Å; W171-L525 HydrophobicContact CZ3-CD2 4.32Å; K508-L525 HydrophobicContact CB-CB 4.25Å; K508-L525 HydrophobicContact CB-CD1 4.37Å; K508-L525 WeakPolarHBondContact O-CB 3.39Å; K508-L525 PolarHBondContact O-N 3.17Å; L510-L525 HydrophobicContact CB-CD1 4.13Å; L510-L525 HydrophobicContact CB-CD2 3.97Å; L510-L525 HydrophobicContact CB-CG 4.16Å; L525-T529 HydrophobicContact CB-CG2 4.44Å; L525-T529 HydrophobicContact CD1-CG2 4.43Å; L525-T529 HydrophobicContact CD2-CG2 4.3Å; L525-F530 HydrophobicContact CD1-CD2 3.8Å; L525-F530 HydrophobicContact CD1-CE2 3.64Å; L525-F530 HydrophobicContact CD2-CE2 4.32Å
526	P	90.3	Very high	76.4	Confident	47 Å²	47	76.8 Å²	76.8	31%	0.305	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-58.5	152.8	165.8	-23.4	33.8	0	0	0	112.1	D170 T529	D170-P526 HydrophobicContact CB-CG 4.37Å; P526-T529 WeakPolarHBondContact CD-OG1 3.46Å; P526-T529 VanDerWaalsContact O-CB 3.28Å; P526-T529 WeakPolarHBondContact O-CB 3.36Å; P526-T529 PolarHBondContact O-N 3.39Å; P526-T529 PolarHBondContact O-OG1 3.41Å
527	E	79.4	Confident	73.6	Confident	195 Å²	195	81.8 Å²	81.8	91%	0.911	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	148.9	165.2	-65.8	176.8	175.9	0	0	110.3	T529	E527-T529 PolarHBondContact O-N 3.44Å
528	G	77.4	Confident	70.6	Confident	52 Å²	52	84.5 Å²	84.5	54%	0.536	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-13.9	-171.2	0	0	0	0	0	115.5	F530 S531	G528-F530 PolarHBondContact O-N 2.78Å; G528-S531 WeakPolarHBondContact CA-OG 3.4Å; G528-S531 PolarHBondContact O-N 3.44Å; G528-S531 PolarHBondContact O-OG 2.71Å; G528-S531 VanDerWaalsContact O-OG 3.06Å
529	T	79.9	Confident	67.4	Low	10 Å²	10	87.2 Å²	87.2	6%	0.061	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	123.5	-178.1	-47.7	0	0	0	0	111.5	W171 L525 P526 E527 S531	W171-T529 HydrophobicContact CZ2-CG2 4.09Å; L525-T529 HydrophobicContact CB-CG2 4.44Å; L525-T529 HydrophobicContact CD1-CG2 4.43Å; L525-T529 HydrophobicContact CD2-CG2 4.3Å; P526-T529 WeakPolarHBondContact CD-OG1 3.46Å; P526-T529 VanDerWaalsContact O-CB 3.28Å; P526-T529 WeakPolarHBondContact O-CB 3.36Å; P526-T529 PolarHBondContact O-N 3.39Å; P526-T529 PolarHBondContact O-OG1 3.41Å; E527-T529 PolarHBondContact O-N 3.44Å; T529-S531 PolarHBondContact O-N 2.77Å
530	F	74.4	Confident	64.5	Low	69 Å²	69	96.2 Å²	96.2	30%	0.303	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	4.6	-173.7	-48	-65	0	0	0	116.4	V165 W171 I271 R284 L510 L525 G528 S532	V165-F530 HydrophobicContact CG2-CE1 3.88Å; V165-F530 HydrophobicContact CG2-CZ 3.81Å; W171-F530 HydrophobicContact CH2-CE2 4.35Å; W171-F530 AromaticContact CH2-CZ 3.8Å; W171-F530 HydrophobicContact CH2-CZ 3.8Å; W171-F530 HydrophobicContact CZ2-CE2 4.26Å; W171-F530 AromaticContact CZ2-CZ 3.85Å; W171-F530 HydrophobicContact CZ2-CZ 3.85Å; I271-F530 HydrophobicContact CD1-CB 4.33Å; I271-F530 HydrophobicContact CD1-CD2 3.94Å; I271-F530 HydrophobicContact CD1-CG 4.3Å; I271-F530 HydrophobicContact CG1-CD2 4.48Å; R284-F530 HydrophobicContact CG-CD1 4.46Å; L510-F530 HydrophobicContact CD1-CE2 4.17Å; L525-F530 HydrophobicContact CD1-CD2 3.8Å; L525-F530 HydrophobicContact CD1-CE2 3.64Å; L525-F530 HydrophobicContact CD2-CE2 4.32Å; G528-F530 PolarHBondContact O-N 2.78Å; F530-S532 PolarHBondContact O-N 3.4Å
531	S	63.1	Low	61.6	Low	59 Å²	59	103.9 Å²	103.9	41%	0.413	53%	0.529	S	S	.	.			trans	-89	89.1	159.2	40.9	0	0	0	0	107.5	G528 T529	G528-S531 WeakPolarHBondContact CA-OG 3.4Å; G528-S531 PolarHBondContact O-N 3.44Å; G528-S531 PolarHBondContact O-OG 2.71Å; G528-S531 VanDerWaalsContact O-OG 3.06Å; T529-S531 PolarHBondContact O-N 2.77Å
532	S	40.6	Very low	58.6	Low	73 Å²	73	112 Å²	112	51%	0.51	57%	0.568	S	S	.	*			trans	-132.1	131.4	166.1	54.5	0	0	0	0	106.3	F530	F530-S532 PolarHBondContact O-N 3.4Å
533	D	37.6	Very low	55.6	Low	148 Å²	148	120.8 Å²	120.8	79%	0.791	61%	0.609	S	S	*	*	S	Bend	trans	89.8	25	168.3	-35.3	-18.2	0	0	0	117.2
534	E	35.8	Very low	52.6	Low	167 Å²	167	127.3 Å²	127.3	78%	0.78	65%	0.646	S	S	*	*	S	Bend	trans	-117.4	-32.2	163.3	-75.8	-172.2	151.2	0	0	113.8	E536	E534-E536 VanDerWaalsContact C-N 3.34Å; E534-E536 PolarHBondContact O-N 3.42Å
535	E	33.7	Very low	50	Low	170 Å²	170	135.7 Å²	135.7	79%	0.794	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-5.2	-177.5	-70.3	173.9	174.1	0	0	114.4
536	E	33.6	Very low	47.2	Very low	189 Å²	189	144 Å²	144	88%	0.883	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-1	177.2	-74.7	-169.5	175.8	0	0	114.3	E534	E534-E536 VanDerWaalsContact C-N 3.34Å; E534-E536 PolarHBondContact O-N 3.42Å
537	E	33.9	Very low	44.6	Very low	190 Å²	190	150 Å²	150	89%	0.888	74%	0.744	S	S	*	*	S	Bend	trans	-112.5	-3.9	177.8	-71.8	-165.2	163.3	0	0	115.2
538	E	31	Very low	42.5	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	74%	0.741	S	S	*	*	S	Bend	trans	-108.1	-1.7	-176.7	-68.8	-166.1	159.9	0	0	116.1
539	E	29.3	Very low	40.8	Very low	191 Å²	191	154.3 Å²	154.3	89%	0.893	76%	0.755	S	S	*	*	S	Bend	trans	-96.2	11.8	-176.4	-78.2	-161.3	165.2	0	0	116.8
540	E	34	Very low	38.9	Very low	194 Å²	194	162.3 Å²	162.3	91%	0.907	79%	0.792	S	S	*	*	S	Bend	trans	-105	-1.4	178.9	-89.3	-163.8	170.2	0	0	116.6
541	D	37.1	Very low	37.2	Very low	162 Å²	162	167 Å²	167	87%	0.866	82%	0.815	S	S	*	*	S	Bend	trans	-123.2	26.3	-169.9	-91.7	-23.6	0	0	0	116.2
542	E	36.2	Very low	35.9	Very low	196 Å²	196	175.3 Å²	175.3	92%	0.916	86%	0.855	S	S	*	*			trans	-137.4	71.7	167.6	-74	-163.4	170.8	0	0	114.2
543	E	33.2	Very low	35.7	Very low	187 Å²	187	180.5 Å²	180.5	87%	0.874	87%	0.872	S	S	*	*	S	Bend	trans	-130.9	134.8	150.4	-78.3	-166.2	153.7	0	0	110.7
544	D	35.1	Very low	35.6	Very low	157 Å²	157	182.2 Å²	182.2	84%	0.84	88%	0.876	S	S	*	*			trans	76.8	65.1	167.1	-58.9	-13.9	0	0	0	120.8
545	E	40.8	Very low	35.5	Very low	201 Å²	201	183 Å²	183	94%	0.939	88%	0.882	S	S	*	*			trans	-124	82.6	138.4	-85.2	-161.3	175.2	0	0	111.2
546	E	35.4	Very low	35.6	Very low	189 Å²	189	183.8 Å²	183.8	88%	0.883	89%	0.887	S	S	*	*			trans	-136.4	148.7	157.4	-82.1	-160	153.2	0	0	112.2
547	E	35.2	Very low	35.8	Very low	171 Å²	171	183.4 Å²	183.4	80%	0.799	89%	0.887	S	S	*	*			trans	78.3	82.6	170.8	-59.5	-165	167.5	0	0	120.8
548	E	35.1	Very low	35.9	Very low	183 Å²	183	183 Å²	183	86%	0.855	89%	0.887	S	S	*	*				80	126.4	117.3	-70.6	-171.8	162.4	0	0	122.6
549	D	41.5	Very low	36.2	Very low	155 Å²	155	183.3 Å²	183.3	83%	0.829	89%	0.891	S	S	*	*			trans	-56.8	141.3	155.9	-65	-72.2	0	0	0	112.4
550	E	39.3	Very low	36.8	Very low	179 Å²	179	182.7 Å²	182.7	84%	0.836	89%	0.89	S	S	*	*				179.2	146.5	116.3	-98.8	-174.8	176.9	0	0	114.3
551	E	38.8	Very low	37	Very low	167 Å²	167	181.8 Å²	181.8	78%	0.78	89%	0.889	S	S	*	*			trans	49.8	94	159.6	-59.6	-162	149.4	0	0	122.2
552	N	36.4	Very low	37	Very low	234 Å²	234	183.5 Å²	183.5	100%	1.251	89%	0.891	S	S	*	*				-179	0	101.1	-99.7	-82.1	0	0	0	114

Retrieved 552 of 552 residues in 1161.6 ms (Link to these results)

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