A0A5K4F2J9_SCHMA 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 A0A5K4F2J9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 632 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	65	Low	243 Å²	243	139.5 Å²	139.5	100%	1.197	79%	0.792	S	S	*	*				0	119.5	0	-75.6	-177.3	170.6	0	0	106.3
2	S	41.8	Very low	66.4	Low	125 Å²	125	138.1 Å²	138.1	87%	0.874	80%	0.798	S	S	*	*			trans	-83.4	111.5	-152	45.3	0	0	0	0	113.2
3	S	51	Low	67.7	Low	98 Å²	98	137.2 Å²	137.2	69%	0.685	79%	0.787	S	S	*	*			trans	-144.4	104.8	154.6	54.8	0	0	0	0	104.5	V5	S3-V5 PolarHBondContact O-N 3.02Å
4	D	56.7	Low	68.7	Low	154 Å²	154	136.1 Å²	136.1	82%	0.824	79%	0.792	S	S	*	*			trans	-54.8	115	176.8	-66.8	-43	0	0	0	107.7	V6	D4-V6 PolarHBondContact O-N 2.87Å
5	V	60.5	Low	69.6	Low	121 Å²	121	137.4 Å²	137.4	73%	0.733	79%	0.793	S	S	*	*			trans	-67.4	96.4	171.6	178	0	0	0	0	104.8	S3 L7	S3-V5 PolarHBondContact O-N 3.02Å; V5-L7 HydrophobicContact CG1-CD2 4.22Å; V5-L7 HydrophobicContact CG1-CG 4.28Å; V5-L7 PolarHBondContact O-N 2.84Å
6	V	70.5	Confident	70.5	Confident	134 Å²	134	134.2 Å²	134.2	81%	0.812	78%	0.781	S	S	*	*			trans	-65.3	90.9	168	-176.8	0	0	0	0	105.7	D4	D4-V6 PolarHBondContact O-N 2.87Å
7	L	75.6	Confident	71.3	Confident	131 Å²	131	134.2 Å²	134.2	69%	0.686	78%	0.778	S	S	*	*			trans	-62.4	144.1	165.3	-71.3	168	0	0	0	107.3	V5 E9	V5-L7 HydrophobicContact CG1-CD2 4.22Å; V5-L7 HydrophobicContact CG1-CG 4.28Å; V5-L7 PolarHBondContact O-N 2.84Å; L7-E9 PolarHBondContact O-N 2.99Å
8	P	77.6	Confident	72.2	Confident	129 Å²	129	129.1 Å²	129.1	84%	0.838	75%	0.747	S	S	*	*			trans	-56.2	114.5	170.2	22.9	-31	0	0	0	108.6
9	E	77.2	Confident	73	Confident	181 Å²	181	128.4 Å²	128.4	85%	0.846	75%	0.747	S	S	*	*			trans	-85.5	119.2	177.6	-172.4	175.3	179.5	0	0	108.5	L7	L7-E9 PolarHBondContact O-N 2.99Å
10	F	82.5	Confident	73.8	Confident	174 Å²	174	128.9 Å²	128.9	76%	0.763	75%	0.752	S	S	*	*			trans	-90.8	102.1	161.3	-163.3	-94.9	0	0	0	105.9	L13	F10-L13 HydrophobicContact CE1-CD1 3.56Å; F10-L13 HydrophobicContact CE1-CG 3.81Å; F10-L13 HydrophobicContact CZ-CD1 3.85Å; F10-L13 HydrophobicContact CZ-CG 4.22Å
11	G	80.7	Confident	74.4	Confident	44 Å²	44	124.3 Å²	124.3	45%	0.454	73%	0.732	S	S	.	*	P	Polyproline II helix	trans	-55.3	153.6	177.6	0	0	0	0	0	111	L13	G11-L13 PolarHBondContact O-N 3.1Å; G11-L13 VanDerWaalsContact O-N 3.1Å
12	S	81.6	Confident	76.6	Confident	123 Å²	123	125 Å²	125	86%	0.86	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-60.1	117.1	173.4	54.1	0	0	0	0	109.5	S14	S12-S14 PolarHBondContact O-N 3.21Å
13	L	82.5	Confident	78.8	Confident	127 Å²	127	121.2 Å²	121.2	67%	0.665	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-63.4	117.9	171.1	-75.7	162.8	0	0	0	108.7	F10 G11 L15	F10-L13 HydrophobicContact CE1-CD1 3.56Å; F10-L13 HydrophobicContact CE1-CG 3.81Å; F10-L13 HydrophobicContact CZ-CD1 3.85Å; F10-L13 HydrophobicContact CZ-CG 4.22Å; G11-L13 PolarHBondContact O-N 3.1Å; G11-L13 VanDerWaalsContact O-N 3.1Å; L13-L15 PolarHBondContact O-N 3.49Å
14	S	81.9	Confident	80.3	Confident	121 Å²	121	122 Å²	122	85%	0.846	71%	0.706	S	S	*	*			trans	-73.7	108	170	53.1	0	0	0	0	109	S12	S12-S14 PolarHBondContact O-N 3.21Å
15	L	82.9	Confident	81.6	Confident	156 Å²	156	117.5 Å²	117.5	82%	0.817	68%	0.684	S	S	*	*			trans	-104.1	137.7	172.1	-71.1	160.4	0	0	0	108.7	L13	L13-L15 PolarHBondContact O-N 3.49Å
16	S	82.9	Confident	82.7	Confident	86 Å²	86	117 Å²	117	60%	0.601	68%	0.677	S	S	*	*			trans	-68.2	143.5	169.6	49.7	0	0	0	0	110
17	N	84.8	Confident	83.4	Confident	135 Å²	135	116.2 Å²	116.2	72%	0.722	67%	0.667	S	S	*	*			trans	-112.7	116.6	179.5	-173.7	4.1	0	0	0	109.2	P19	N17-P19 WeakPolarHBondContact O-CD 3.02Å
18	N	87.3	Confident	84	Confident	41 Å²	41	113.7 Å²	113.7	22%	0.219	66%	0.659	C	S	.	*			trans	-107.5	99.9	177.3	-167.3	-16.9	0	0	0	110.1	T20 G21 G23 T25	N18-T20 PolarHBondContact OD1-N 3.28Å; N18-T20 PolarHBondContact OD1-OG1 3.21Å; N18-G21 WeakPolarHBondContact CB-O 3.15Å; N18-G21 VanDerWaalsContact CG-O 3.28Å; N18-G21 VanDerWaalsContact O-O 3.1Å; N18-G21 PolarHBondContact OD1-N 3.28Å; N18-G23 PolarHBondContact ND2-O 3.1Å; N18-G23 VanDerWaalsContact ND2-O 3.08Å; N18-T25 HydrophobicContact CB-CG2 3.53Å; N18-T25 VanDerWaalsContact CG-CG2 3.49Å
19	P	87.1	Confident	84.4	Confident	116 Å²	116	115.6 Å²	115.6	75%	0.753	66%	0.656	S	S	*	*	S	Bend	trans	-77.5	-20.3	-177.1	27.8	-32.5	0	0	0	114.2	N17	N17-P19 WeakPolarHBondContact O-CD 3.02Å
20	T	90.2	Very high	84.9	Confident	138 Å²	138	114.5 Å²	114.5	85%	0.847	65%	0.651	S	S	*	*	S	Bend	trans	-101.7	-7.8	-174.3	50.1	0	0	0	0	114	N18	N18-T20 PolarHBondContact OD1-N 3.28Å; N18-T20 PolarHBondContact OD1-OG1 3.21Å
21	G	85.6	Confident	85.3	Confident	33 Å²	33	111 Å²	111	34%	0.34	64%	0.636	S	S	.	*	S	Bend	trans	-173.3	-165.7	179.5	0	0	0	0	0	113.3	N18	N18-G21 WeakPolarHBondContact CB-O 3.15Å; N18-G21 VanDerWaalsContact CG-O 3.28Å; N18-G21 VanDerWaalsContact O-O 3.1Å; N18-G21 PolarHBondContact OD1-N 3.28Å
22	W	87.2	Confident	85.6	Confident	258 Å²	258	116.7 Å²	116.7	98%	0.977	64%	0.644	S	S	*	*	S	Bend	trans	-105.3	140	170.3	-70.4	-85.2	0	0	0	109.5
23	G	87.8	Confident	86	Confident	46 Å²	46	118.3 Å²	118.3	47%	0.474	64%	0.642	S	S	.	*	S	Bend	trans	123.7	179.4	177.2	0	0	0	0	0	114	N18	N18-G23 PolarHBondContact ND2-O 3.1Å; N18-G23 VanDerWaalsContact ND2-O 3.08Å
24	P	84.4	Confident	86.3	Confident	115 Å²	115	117.3 Å²	117.3	75%	0.747	64%	0.636	S	S	*	*			trans	-65.8	134.2	-179.8	28.1	-33.6	0	0	0	111.3
25	T	83.4	Confident	86.7	Confident	58 Å²	58	115 Å²	115	36%	0.356	62%	0.618	S	S	.	*	S	Bend	trans	-91.2	-32.3	171.8	44.5	0	0	0	0	112.8	N18	N18-T25 HydrophobicContact CB-CG2 3.53Å; N18-T25 VanDerWaalsContact CG-CG2 3.49Å
26	D	83.7	Confident	87	Confident	111 Å²	111	114.6 Å²	114.6	59%	0.594	61%	0.61	S	S	*	*	S	Bend	trans	-128.5	149	-172	-66.7	-69.5	0	0	0	110.8
27	I	85.6	Confident	87.3	Confident	117 Å²	117	113.3 Å²	113.3	60%	0.6	59%	0.594	S	S	*	*			trans	-67.2	135.9	170	-57.2	166.9	0	0	0	107.7	E29	I27-E29 PolarHBondContact O-N 2.84Å
28	P	86.4	Confident	87.5	Confident	79 Å²	79	109.3 Å²	109.3	51%	0.513	58%	0.576	S	S	.	*			trans	-52.1	133.5	176.2	-25.2	33	0	0	0	111.7	E30 F31 R32	P28-E30 PolarHBondContact O-N 3.09Å; P28-F31 HydrophobicContact CB-CD2 4.17Å; P28-F31 PolarHBondContact O-N 3.29Å; P28-R32 PolarHBondContact O-N 3.35Å
29	E	86.4	Confident	87.6	Confident	168 Å²	168	114.2 Å²	114.2	79%	0.785	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-30.9	-175.4	-77.2	-175.6	157.2	0	0	113.1	I27 F31 R32	I27-E29 PolarHBondContact O-N 2.84Å; E29-F31 PolarHBondContact O-N 3.23Å; E29-R32 PolarHBondContact O-N 2.67Å
30	E	88.7	Confident	87.7	Confident	159 Å²	159	110.1 Å²	110.1	74%	0.743	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-29.4	178.5	-60.3	174.3	-178.1	0	0	113.4	P28	P28-E30 PolarHBondContact O-N 3.09Å
31	F	89.8	Confident	87.6	Confident	101 Å²	101	112.4 Å²	112.4	44%	0.443	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112	-6	-176.5	-57.4	-65.4	0	0	0	113.7	P28 E29 N33 M34	P28-F31 HydrophobicContact CB-CD2 4.17Å; P28-F31 PolarHBondContact O-N 3.29Å; E29-F31 PolarHBondContact O-N 3.23Å; F31-N33 PolarHBondContact O-N 3.32Å; F31-N33 VanDerWaalsContact O-N 3.16Å; F31-M34 PolarHBondContact O-N 2.99Å; F31-M34 VanDerWaalsContact O-O 3.06Å
32	R	87.1	Confident	87.8	Confident	163 Å²	163	117.3 Å²	117.3	62%	0.615	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-33.8	-173.9	-168.3	178.9	-165.8	159.4	9.3	113.8	P28 E29	P28-R32 PolarHBondContact O-N 3.35Å; E29-R32 PolarHBondContact O-N 2.67Å
33	N	89.7	Confident	87.7	Confident	156 Å²	156	107.1 Å²	107.1	83%	0.834	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	18.2	-175.7	-60.6	-29	0	0	0	112.9	F31	F31-N33 PolarHBondContact O-N 3.32Å; F31-N33 VanDerWaalsContact O-N 3.16Å
34	M	89.3	Confident	87.6	Confident	106 Å²	106	111.6 Å²	111.6	52%	0.522	56%	0.555	S	S	.	*	S	Bend	trans	-133.2	123.2	-175.7	-176.4	178.9	-57.8	0	0	109.3	F31 F36 Y74	F31-M34 PolarHBondContact O-N 2.99Å; F31-M34 VanDerWaalsContact O-O 3.06Å; M34-F36 PolarHBondContact O-N 2.56Å; M34-F36 VanDerWaalsContact O-N 3.17Å; M34-Y74 WeakPolarHBondContact CG-OH 3.37Å
35	P	89.8	Confident	87.7	Confident	73 Å²	73	113.4 Å²	113.4	47%	0.474	56%	0.558	S	S	.	*			trans	-52.4	123.8	169.8	-26.1	33.4	0	0	0	110.4	Q37 Q73 Y74	P35-Q37 PolarHBondContact O-N 2.88Å; P35-Q73 HydrophobicContact CB-CB 4.2Å; P35-Q73 HydrophobicContact CB-CG 4.48Å; P35-Y74 HydrophobicContact CB-CE1 4.34Å; P35-Y74 HydrophobicContact CB-CE2 4.39Å; P35-Y74 VanDerWaalsContact CD-OH 3.31Å; P35-Y74 WeakPolarHBondContact CD-OH 3.38Å; P35-Y74 HydrophobicContact CG-CE1 4.29Å; P35-Y74 VanDerWaalsContact O-CE2 3.23Å; P35-Y74 WeakPolarHBondContact O-CE2 3.49Å; P35-Y74 VanDerWaalsContact O-CZ 3.23Å; P35-Y74 PolarHBondContact O-OH 3.17Å
36	F	89.2	Confident	87.9	Confident	148 Å²	148	113.5 Å²	113.5	65%	0.649	57%	0.57	S	S	*	*			trans	-71.4	131.8	-179.4	177.1	-103.9	0	0	0	109.8	M34 P38	M34-F36 PolarHBondContact O-N 2.56Å; M34-F36 VanDerWaalsContact O-N 3.17Å; F36-P38 HydrophobicContact CE1-CB 4.46Å; F36-P38 HydrophobicContact CZ-CB 4.36Å
37	Q	89.2	Confident	87.9	Confident	59 Å²	59	115.5 Å²	115.5	28%	0.276	57%	0.569	S	S	.	*			trans	-142.4	122.7	168.2	-176.8	166.8	-25.2	0	0	109.1	P35 G71 Y74	P35-Q37 PolarHBondContact O-N 2.88Å; Q37-G71 PolarHBondContact NE2-O 3.01Å; Q37-Y74 HydrophobicContact CB-CD2 3.86Å; Q37-Y74 HydrophobicContact CB-CE2 3.88Å; Q37-Y74 VanDerWaalsContact OE1-CD2 3.31Å
38	P	89.9	Confident	87.9	Confident	50 Å²	50	113.6 Å²	113.6	33%	0.325	56%	0.563	S	S	.	*			trans	-68.7	144.7	-179.4	28.6	-34.6	0	0	0	111	F36 S69	F36-P38 HydrophobicContact CE1-CB 4.46Å; F36-P38 HydrophobicContact CZ-CB 4.36Å; P38-S69 WeakPolarHBondContact O-CB 3.26Å
39	F	89.2	Confident	87.9	Confident	145 Å²	145	114.3 Å²	114.3	64%	0.636	58%	0.576	S	S	*	*			trans	-149.1	150.3	178	72.7	-78.8	0	0	0	111.6	K41	F39-K41 HydrophobicContact CD2-CG 4.16Å; F39-K41 HydrophobicContact CE2-CD 4.31Å; F39-K41 HydrophobicContact CE2-CG 3.57Å
40	S	88.6	Confident	87.8	Confident	29 Å²	29	108.2 Å²	108.2	20%	0.203	55%	0.548	C	S	.	.			trans	-111.1	124.1	174.5	-44.8	0	0	0	0	110.6	D42 T43 S69	S40-D42 WeakPolarHBondContact CB-OD1 3.44Å; S40-D42 PolarHBondContact O-N 3.35Å; S40-T43 PolarHBondContact O-N 3.37Å; S40-T43 PolarHBondContact O-OG1 3.08Å; S40-S69 PolarHBondContact OG-OG 2.83Å
41	K	89.5	Confident	87.6	Confident	187 Å²	187	112.8 Å²	112.8	81%	0.813	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-14.5	-175.7	-70	179.3	-177.4	177.6	0	114.1	F39	F39-K41 HydrophobicContact CD2-CG 4.16Å; F39-K41 HydrophobicContact CE2-CD 4.31Å; F39-K41 HydrophobicContact CE2-CG 3.57Å
42	D	88.8	Confident	87.3	Confident	135 Å²	135	110.9 Å²	110.9	72%	0.722	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-6.2	-178.8	64.2	-30.6	0	0	0	113.6	S40	S40-D42 WeakPolarHBondContact CB-OD1 3.44Å; S40-D42 PolarHBondContact O-N 3.35Å
43	T	84.5	Confident	86.8	Confident	45 Å²	45	105.6 Å²	105.6	28%	0.276	55%	0.554	S	S	.	*	S	Bend	trans	-67.5	146	178.4	55.4	0	0	0	0	112	S40 L45	S40-T43 PolarHBondContact O-N 3.37Å; S40-T43 PolarHBondContact O-OG1 3.08Å; T43-L45 PolarHBondContact O-N 3.25Å
44	R	86	Confident	86.3	Confident	139 Å²	139	103 Å²	103	53%	0.525	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-70.9	126.3	-179.9	-169.4	-178	-177.6	123.2	5.6	110.1	R64 Y65	R44-R64 WeakPolarHBondContact CB-O 3.34Å; R44-Y65 HydrophobicContact CB-CD1 4.38Å; R44-Y65 HydrophobicContact CG-CD1 4.26Å; R44-Y65 HydrophobicContact CG-CE1 4.07Å; R44-Y65 WeakPolarHBondContact O-CD1 3.49Å
45	L	87	Confident	85.6	Confident	154 Å²	154	102.6 Å²	102.6	81%	0.806	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-91	163.6	175.6	-57.1	176.6	0	0	0	112.2	T43	T43-L45 PolarHBondContact O-N 3.25Å
46	G	86.9	Confident	84.7	Confident	60 Å²	60	100.8 Å²	100.8	62%	0.619	52%	0.524	S	S	*	.			trans	103.1	29.2	170.8	0	0	0	0	0	116.7
47	R	84.2	Confident	83.5	Confident	153 Å²	153	101.5 Å²	101.5	58%	0.577	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-73.1	127.5	171.4	-174.5	177.1	174.5	-179.9	-4	110.3	Y65	R47-Y65 HydrophobicContact CB-CD1 4.1Å; R47-Y65 HydrophobicContact CB-CD2 4.01Å; R47-Y65 HydrophobicContact CB-CE2 4.47Å; R47-Y65 HydrophobicContact CB-CG 3.81Å; R47-Y65 HydrophobicContact CG-CD2 4.12Å; R47-Y65 HydrophobicContact CG-CG 4.32Å
48	V	86.7	Confident	82.1	Confident	76 Å²	76	103 Å²	103	46%	0.461	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-82.6	139.5	174.4	-175.8	0	0	0	0	109.6	I55 F56	V48-I55 HydrophobicContact CG1-CD1 3.8Å; V48-F56 HydrophobicContact CB-CE2 4.16Å; V48-F56 HydrophobicContact CB-CZ 3.94Å; V48-F56 WeakPolarHBondContact O-CE2 3.32Å
49	A	86.1	Confident	80.9	Confident	95 Å²	95	107.4 Å²	107.4	79%	0.785	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-89.5	130.6	167	0	0	0	0	0	109.3
50	D	84	Confident	79.9	Confident	39 Å²	39	108.2 Å²	108.2	21%	0.209	56%	0.56	C	S	.	*			trans	-139.1	107.1	-178.2	178.1	16.3	0	0	0	110.1	S52 G53 N54 I55	D50-S52 PolarHBondContact O-N 3.35Å; D50-S52 WeakPolarHBondContact OD1-CA 3.45Å; D50-S52 WeakPolarHBondContact OD1-CB 3.28Å; D50-S52 PolarHBondContact OD1-N 3.33Å; D50-S52 PolarHBondContact OD1-OG 3.19Å; D50-S52 PolarHBondContact OD2-OG 3.2Å; D50-G53 PolarHBondContact O-N 3.46Å; D50-G53 PolarHBondContact OD2-N 2.83Å; D50-N54 PolarHBondContact OD2-N 2.87Å; D50-I55 HydrophobicContact CB-CB 4.37Å; D50-I55 HydrophobicContact CB-CD1 3.91Å; D50-I55 HydrophobicContact CB-CG1 4.2Å; D50-I55 WeakPolarHBondContact OD2-CG1 3.43Å; D50-I55 PolarHBondContact OD2-N 3.11Å
51	W	84.3	Confident	78.9	Confident	256 Å²	256	109.3 Å²	109.3	97%	0.97	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-17.4	176.7	59.1	80.6	0	0	0	112.9
52	S	82.8	Confident	77.7	Confident	60 Å²	60	104.2 Å²	104.2	42%	0.42	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-13.6	178.4	78.9	0	0	0	0	113.7	D50 N54	D50-S52 PolarHBondContact O-N 3.35Å; D50-S52 WeakPolarHBondContact OD1-CA 3.45Å; D50-S52 WeakPolarHBondContact OD1-CB 3.28Å; D50-S52 PolarHBondContact OD1-N 3.33Å; D50-S52 PolarHBondContact OD1-OG 3.19Å; D50-S52 PolarHBondContact OD2-OG 3.2Å; S52-N54 WeakPolarHBondContact CB-ND2 3.37Å; S52-N54 PolarHBondContact O-N 2.9Å; S52-N54 PolarHBondContact O-ND2 3.37Å; S52-N54 PolarHBondContact OG-ND2 3.39Å
53	G	77.9	Confident	77.1	Confident	52 Å²	52	100.4 Å²	100.4	54%	0.536	53%	0.534	S	S	.	.	S	Bend	trans	67.9	10.6	-178.9	0	0	0	0	0	115.7	D50	D50-G53 PolarHBondContact O-N 3.46Å; D50-G53 PolarHBondContact OD2-N 2.83Å
54	N	78	Confident	76.9	Confident	101 Å²	101	103.6 Å²	103.6	54%	0.54	54%	0.541	S	S	.	.			trans	-87.3	-23.1	-171.6	-70.3	-49.7	0	0	0	114.3	D50 S52	D50-N54 PolarHBondContact OD2-N 2.87Å; S52-N54 WeakPolarHBondContact CB-ND2 3.37Å; S52-N54 PolarHBondContact O-N 2.9Å; S52-N54 PolarHBondContact O-ND2 3.37Å; S52-N54 PolarHBondContact OG-ND2 3.39Å
55	I	75.2	Confident	76.8	Confident	98 Å²	98	99.5 Å²	99.5	50%	0.503	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-34.8	-174.6	-65.6	177.2	0	0	0	112.7	V48 D50	V48-I55 HydrophobicContact CG1-CD1 3.8Å; D50-I55 HydrophobicContact CB-CB 4.37Å; D50-I55 HydrophobicContact CB-CD1 3.91Å; D50-I55 HydrophobicContact CB-CG1 4.2Å; D50-I55 WeakPolarHBondContact OD2-CG1 3.43Å; D50-I55 PolarHBondContact OD2-N 3.11Å
56	F	70.5	Confident	76.4	Confident	36 Å²	36	97 Å²	97	16%	0.158	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	44.2	-171.4	-58.2	-78.9	0	0	0	113.9	V48 D58 N61 K62 Y65	V48-F56 HydrophobicContact CB-CE2 4.16Å; V48-F56 HydrophobicContact CB-CZ 3.94Å; V48-F56 WeakPolarHBondContact O-CE2 3.32Å; F56-D58 PolarHBondContact O-N 3.01Å; F56-N61 HydrophobicContact CD1-CB 4.01Å; F56-K62 HydrophobicContact CB-CG 4.28Å; F56-Y65 HydrophobicContact CE1-CE2 4.45Å
57	Q	63.9	Low	76	Confident	163 Å²	163	95.8 Å²	95.8	76%	0.762	50%	0.499	S	S	*	.			trans	-61	-23.6	176.1	-69.5	-167.7	-1.9	0	0	113.4
58	D	60.8	Low	75.7	Confident	91 Å²	91	97.1 Å²	97.1	49%	0.487	51%	0.512	S	S	.	.	S	Bend	trans	-95.1	108.3	173.9	-157.5	-11.8	0	0	0	110.3	F56 K60 N61	F56-D58 PolarHBondContact O-N 3.01Å; D58-K60 PolarHBondContact O-N 3.13Å; D58-N61 PolarHBondContact O-N 3.48Å; D58-N61 VanDerWaalsContact O-N 3.08Å
59	M	63.7	Low	75	Confident	142 Å²	142	95.1 Å²	95.1	70%	0.7	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-54.5	-23.9	-179.8	-102.2	-155.9	152.4	0	0	113.3	N61 K62	M59-N61 PolarHBondContact O-N 3.45Å; M59-K62 PolarHBondContact O-N 3.36Å
60	K	67.8	Low	74.3	Confident	161 Å²	161	95.9 Å²	95.9	70%	0.7	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-55.9	-24.6	176.6	-69.2	-179.9	178.1	-179.7	0	113.8	D58	D58-K60 PolarHBondContact O-N 3.13Å
61	N	67.5	Low	73.9	Confident	52 Å²	52	94.9 Å²	94.9	28%	0.278	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-85.6	-28.7	179	-70.9	-1	0	0	0	113.2	F56 D58 M59 R64 Y65	F56-N61 HydrophobicContact CD1-CB 4.01Å; D58-N61 PolarHBondContact O-N 3.48Å; D58-N61 VanDerWaalsContact O-N 3.08Å; M59-N61 PolarHBondContact O-N 3.45Å; N61-R64 PolarHBondContact O-N 2.8Å; N61-R64 PolarHBondContact OD1-NH2 3.11Å; N61-Y65 VanDerWaalsContact O-CD2 3.24Å; N61-Y65 WeakPolarHBondContact O-CD2 3.44Å; N61-Y65 VanDerWaalsContact O-CE2 3.28Å; N61-Y65 WeakPolarHBondContact O-CE2 3.33Å
62	K	66	Low	73.9	Confident	81 Å²	81	84.7 Å²	84.7	35%	0.352	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-67.4	-42.8	-177.8	-82.2	-173.4	172.8	-172.6	0	111.9	F56 M59 R64 Y65	F56-K62 HydrophobicContact CB-CG 4.28Å; M59-K62 PolarHBondContact O-N 3.36Å; K62-R64 PolarHBondContact O-N 3.33Å; K62-R64 VanDerWaalsContact O-N 3.13Å; K62-Y65 PolarHBondContact O-N 3.3Å
63	G	75.6	Confident	74.1	Confident	54 Å²	54	86.9 Å²	86.9	56%	0.557	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-64.6	-16.7	-178.8	0	0	0	0	0	115.1	Y65	G63-Y65 VanDerWaalsContact C-N 3.32Å; G63-Y65 PolarHBondContact O-N 2.88Å
64	R	79.4	Confident	74.6	Confident	113 Å²	113	90.6 Å²	90.6	43%	0.426	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-76.9	-16.1	-178	-68.5	-164.9	-87	170.4	-6.7	114.3	R44 N61 K62	R44-R64 WeakPolarHBondContact CB-O 3.34Å; N61-R64 PolarHBondContact O-N 2.8Å; N61-R64 PolarHBondContact OD1-NH2 3.11Å; K62-R64 PolarHBondContact O-N 3.33Å; K62-R64 VanDerWaalsContact O-N 3.13Å
65	Y	83.4	Confident	75.1	Confident	52 Å²	52	88.2 Å²	88.2	20%	0.204	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-111.8	9.1	-176.5	-52.8	-73.4	0	0	0	112.4	R44 R47 F56 N61 K62 G63	R44-Y65 HydrophobicContact CB-CD1 4.38Å; R44-Y65 HydrophobicContact CG-CD1 4.26Å; R44-Y65 HydrophobicContact CG-CE1 4.07Å; R44-Y65 WeakPolarHBondContact O-CD1 3.49Å; R47-Y65 HydrophobicContact CB-CD1 4.1Å; R47-Y65 HydrophobicContact CB-CD2 4.01Å; R47-Y65 HydrophobicContact CB-CE2 4.47Å; R47-Y65 HydrophobicContact CB-CG 3.81Å; R47-Y65 HydrophobicContact CG-CD2 4.12Å; R47-Y65 HydrophobicContact CG-CG 4.32Å; F56-Y65 HydrophobicContact CE1-CE2 4.45Å; N61-Y65 VanDerWaalsContact O-CD2 3.24Å; N61-Y65 WeakPolarHBondContact O-CD2 3.44Å; N61-Y65 VanDerWaalsContact O-CE2 3.28Å; N61-Y65 WeakPolarHBondContact O-CE2 3.33Å; K62-Y65 PolarHBondContact O-N 3.3Å; G63-Y65 VanDerWaalsContact C-N 3.32Å; G63-Y65 PolarHBondContact O-N 2.88Å
66	V	79.8	Confident	75.7	Confident	102 Å²	102	92.3 Å²	92.3	62%	0.618	47%	0.47	S	S	*	.			trans	-77.4	122.7	178	179.3	0	0	0	0	108.1
67	S	78.6	Confident	76.5	Confident	35 Å²	35	98 Å²	98	25%	0.245	49%	0.491	C	S	.	.			trans	-81.2	144.2	171.4	174.9	0	0	0	0	109.4	S69	S67-S69 VanDerWaalsContact C-N 3.31Å; S67-S69 WeakPolarHBondContact CB-O 3.3Å; S67-S69 PolarHBondContact OG-N 2.67Å; S67-S69 VanDerWaalsContact OG-N 3.16Å; S67-S69 PolarHBondContact OG-O 2.8Å
68	Q	77.1	Confident	77.4	Confident	180 Å²	180	94.6 Å²	94.6	84%	0.841	48%	0.475	S	S	*	.	S	Bend	trans	-72.5	-28.7	171	-70.2	-177.7	-44.2	0	0	111.7
69	S	72.5	Confident	78.1	Confident	35 Å²	35	97.7 Å²	97.7	25%	0.245	49%	0.492	C	S	.	.	S	Bend	trans	-86	117.1	170.4	-50.6	0	0	0	0	109.1	P38 S40 S67	P38-S69 WeakPolarHBondContact O-CB 3.26Å; S40-S69 PolarHBondContact OG-OG 2.83Å; S67-S69 VanDerWaalsContact C-N 3.31Å; S67-S69 WeakPolarHBondContact CB-O 3.3Å; S67-S69 PolarHBondContact OG-N 2.67Å; S67-S69 VanDerWaalsContact OG-N 3.16Å; S67-S69 PolarHBondContact OG-O 2.8Å
70	V	70.7	Confident	78.8	Confident	110 Å²	110	96.6 Å²	96.6	67%	0.667	49%	0.485	S	S	*	.			trans	-107.1	137.3	177.6	-172.8	0	0	0	0	108.1
71	G	76.5	Confident	79.2	Confident	18 Å²	18	95.5 Å²	95.5	19%	0.186	49%	0.487	C	S	.	.			trans	-165	151.5	172.4	0	0	0	0	0	110	Q37 E601	Q37-G71 PolarHBondContact NE2-O 3.01Å; G71-E601 WeakPolarHBondContact CA-OE1 3.43Å
72	S	84.3	Confident	79.3	Confident	42 Å²	42	95.8 Å²	95.8	29%	0.294	49%	0.488	S	S	.	.			trans	-120.2	5.6	-173.2	58.7	0	0	0	0	114.3	Y74 A75 E601	S72-Y74 PolarHBondContact O-N 2.58Å; S72-A75 WeakPolarHBondContact O-CB 3.49Å; S72-A75 PolarHBondContact O-N 3.46Å; S72-E601 WeakPolarHBondContact CB-OE1 3.25Å; S72-E601 PolarHBondContact N-OE1 2.98Å; S72-E601 PolarHBondContact OG-OE1 3.25Å
73	Q	87.4	Confident	79.9	Confident	107 Å²	107	100.1 Å²	100.1	50%	0.5	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31	-177.9	-84.5	67.8	12.9	0	0	113.6	P35	P35-Q73 HydrophobicContact CB-CB 4.2Å; P35-Q73 HydrophobicContact CB-CG 4.48Å
74	Y	88.7	Confident	80	Confident	130 Å²	130	102.5 Å²	102.5	51%	0.51	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	18.9	173.7	-62.8	-74	0	0	0	113.7	M34 P35 Q37 S72	M34-Y74 WeakPolarHBondContact CG-OH 3.37Å; P35-Y74 HydrophobicContact CB-CE1 4.34Å; P35-Y74 HydrophobicContact CB-CE2 4.39Å; P35-Y74 VanDerWaalsContact CD-OH 3.31Å; P35-Y74 WeakPolarHBondContact CD-OH 3.38Å; P35-Y74 HydrophobicContact CG-CE1 4.29Å; P35-Y74 VanDerWaalsContact O-CE2 3.23Å; P35-Y74 WeakPolarHBondContact O-CE2 3.49Å; P35-Y74 VanDerWaalsContact O-CZ 3.23Å; P35-Y74 PolarHBondContact O-OH 3.17Å; Q37-Y74 HydrophobicContact CB-CD2 3.86Å; Q37-Y74 HydrophobicContact CB-CE2 3.88Å; Q37-Y74 VanDerWaalsContact OE1-CD2 3.31Å; S72-Y74 PolarHBondContact O-N 2.58Å
75	A	88.8	Confident	80	Confident	50 Å²	50	104.2 Å²	104.2	41%	0.413	53%	0.526	S	S	.	.			trans	-86	141.5	176.9	0	0	0	0	0	111.3	S72 Y77	S72-A75 WeakPolarHBondContact O-CB 3.49Å; S72-A75 PolarHBondContact O-N 3.46Å; A75-Y77 HydrophobicContact CB-CD2 4.3Å; A75-Y77 HydrophobicContact CB-CE2 3.61Å
76	Y	87.8	Confident	79.9	Confident	184 Å²	184	110.3 Å²	110.3	72%	0.722	56%	0.556	S	S	*	*			trans	-107.7	119.6	168.7	173.1	-109	0	0	0	108.5	H78	Y76-H78 HydrophobicContact CD1-CB 4.43Å; Y76-H78 HydrophobicContact CE1-CB 3.63Å; Y76-H78 AromaticContact CZ-ND1 3.82Å; Y76-H78 PolarHBondContact OH-ND1 2.99Å
77	Y	85.8	Confident	80	Confident	155 Å²	155	113.9 Å²	113.9	61%	0.608	57%	0.571	S	S	*	*			trans	-101	117.6	171.4	-64.1	-87	0	0	0	107.6	A75 D79	A75-Y77 HydrophobicContact CB-CD2 4.3Å; A75-Y77 HydrophobicContact CB-CE2 3.61Å; Y77-D79 PolarHBondContact O-N 2.68Å
78	H	84.5	Confident	79.9	Confident	92 Å²	92	118.7 Å²	118.7	43%	0.426	60%	0.599	S	S	.	*			trans	-90.1	103.2	173.1	-168.6	48.5	0	0	0	108.2	Y76 E80 D81	Y76-H78 HydrophobicContact CD1-CB 4.43Å; Y76-H78 HydrophobicContact CE1-CB 3.63Å; Y76-H78 AromaticContact CZ-ND1 3.82Å; Y76-H78 PolarHBondContact OH-ND1 2.99Å; H78-E80 PolarHBondContact O-N 3.21Å; H78-D81 HydrophobicContact CB-CB 4.14Å; H78-D81 PolarHBondContact CD2-N 2.72Å; H78-D81 PolarHBondContact O-N 3.32Å; H78-D81 VanDerWaalsContact O-N 3.12Å
79	D	75.1	Confident	79.2	Confident	157 Å²	157	112.9 Å²	112.9	84%	0.84	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-22.2	-177.8	-61.3	-35.3	0	0	0	112.9	Y77	Y77-D79 PolarHBondContact O-N 2.68Å
80	E	77.2	Confident	79.1	Confident	119 Å²	119	117.3 Å²	117.3	56%	0.556	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	28.9	-179.8	-59.5	-170.8	162.3	0	0	113.6	H78 D82 F85	H78-E80 PolarHBondContact O-N 3.21Å; E80-D82 PolarHBondContact O-N 2.95Å; E80-F85 HydrophobicContact CB-CE2 4.27Å
81	D	76.7	Confident	78.6	Confident	138 Å²	138	117 Å²	117	74%	0.738	61%	0.607	S	S	*	*			trans	-71.7	61.4	176.2	-162.1	14.6	0	0	0	113.1	H78	H78-D81 HydrophobicContact CB-CB 4.14Å; H78-D81 PolarHBondContact CD2-N 2.72Å; H78-D81 PolarHBondContact O-N 3.32Å; H78-D81 VanDerWaalsContact O-N 3.12Å
82	D	69.2	Low	77.4	Confident	58 Å²	58	127.7 Å²	127.7	31%	0.31	64%	0.642	S	S	.	*			trans	-128.2	137.5	-178.8	-83.8	-53.3	0	0	0	111.4	E80 N84 R520	E80-D82 PolarHBondContact O-N 2.95Å; D82-N84 HydrophobicContact CB-CB 4.1Å; D82-N84 PolarHBondContact O-N 3.46Å; D82-R520 VanDerWaalsContact CG-NH1 3.32Å; D82-R520 VanDerWaalsContact CG-NH2 3.3Å; D82-R520 IonicContact OD1-CZ 3.56Å; D82-R520 IonicContact OD1-NE 3.51Å; D82-R520 IonicContact OD1-NH1 3.01Å; D82-R520 IonicContact OD1-NH2 3.1Å; D82-R520 PolarHBondContact OD1-NH2 3.36Å; D82-R520 WeakPolarHBondContact OD2-CD 3.4Å; D82-R520 IonicContact OD2-CZ 3.79Å; D82-R520 IonicContact OD2-NE 2.71Å; D82-R520 PolarHBondContact OD2-NE 3.22Å; D82-R520 IonicContact OD2-NH1 3.78Å; D82-R520 PolarHBondContact OD2-NH1 2.83Å; D82-R520 IonicContact OD2-NH2 2.89Å; D82-R520 PolarHBondContact OD2-NH2 3.22Å
83	N	79	Confident	75.8	Confident	172 Å²	172	133.2 Å²	133.2	92%	0.92	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	21.5	168.9	-69.6	-44.3	0	0	0	113.4
84	N	78	Confident	74	Confident	103 Å²	103	134.1 Å²	134.1	55%	0.551	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-24.7	-175.8	-86.4	29	0	0	0	113.2	D82 Q86 R520	D82-N84 HydrophobicContact CB-CB 4.1Å; D82-N84 PolarHBondContact O-N 3.46Å; N84-Q86 PolarHBondContact O-N 2.77Å; N84-R520 PolarHBondContact ND2-NH1 2.89Å; N84-R520 PolarHBondContact OD1-NH2 3.03Å
85	F	80	Confident	71.8	Confident	150 Å²	150	137.8 Å²	137.8	66%	0.658	69%	0.694	S	S	*	*			trans	-73.9	123.8	177.4	-68.2	-88.8	0	0	0	110.1	E80	E80-F85 HydrophobicContact CB-CE2 4.27Å
86	Q	80.2	Confident	69.8	Low	179 Å²	179	141.3 Å²	141.3	84%	0.836	71%	0.711	S	S	*	*			trans	-93.6	131.4	169.8	-65	-177.5	2.7	0	0	109	N84 V88	N84-Q86 PolarHBondContact O-N 2.77Å; Q86-V88 PolarHBondContact O-N 2.97Å
87	L	82.7	Confident	67.6	Low	177 Å²	177	137.9 Å²	137.9	93%	0.927	71%	0.711	S	S	*	*			trans	-66.6	114.4	172.5	-170.6	80.2	0	0	0	109.2	S89	L87-S89 PolarHBondContact O-N 2.99Å
88	V	74.9	Confident	65.4	Low	136 Å²	136	135 Å²	135	82%	0.824	72%	0.719	S	S	*	*			trans	-75.8	115	175.8	-178.3	0	0	0	0	109.2	Q86	Q86-V88 PolarHBondContact O-N 2.97Å
89	S	64.3	Low	63.4	Low	58 Å²	58	138 Å²	138	41%	0.406	74%	0.737	S	S	.	*			trans	-79.6	128.6	170.9	172	0	0	0	0	110.6	L87 V91	L87-S89 PolarHBondContact O-N 2.99Å; S89-V91 PolarHBondContact O-N 3.34Å; S89-V91 PolarHBondContact OG-N 3.46Å; S89-V91 PolarHBondContact OG-O 3.38Å
90	S	69.1	Low	61.7	Low	128 Å²	128	140.9 Å²	140.9	90%	0.895	74%	0.736	S	S	*	*	S	Bend	trans	-79.1	-1.8	170.8	59.3	0	0	0	0	113.2
91	V	60.9	Low	60	Low	103 Å²	103	143 Å²	143	62%	0.624	75%	0.746	S	S	*	*	S	Bend	trans	-89.8	126.3	176.5	-173.3	0	0	0	0	107.8	S89 E93	S89-V91 PolarHBondContact O-N 3.34Å; S89-V91 PolarHBondContact OG-N 3.46Å; S89-V91 PolarHBondContact OG-O 3.38Å; V91-E93 VanDerWaalsContact C-N 3.27Å; V91-E93 PolarHBondContact O-N 3.24Å
92	R	50.2	Low	58.3	Low	244 Å²	244	146.4 Å²	146.4	92%	0.921	75%	0.749	S	S	*	*			trans	-57.1	94	168.1	-88.5	-178	172.9	176.4	-1	108.5	T94	R92-T94 PolarHBondContact O-N 3.4Å
93	E	51.8	Low	56.9	Low	157 Å²	157	153.5 Å²	153.5	73%	0.734	77%	0.772	S	S	*	*			trans	-65.3	111	168.9	-75.4	-177	-177.9	0	0	107.8	V91 K95	V91-E93 VanDerWaalsContact C-N 3.27Å; V91-E93 PolarHBondContact O-N 3.24Å; E93-K95 PolarHBondContact O-N 3.03Å
94	T	49.1	Very low	55.1	Low	126 Å²	126	156 Å²	156	77%	0.773	77%	0.769	S	S	*	*			trans	-54.8	112.5	166	43.8	0	0	0	0	107.8	R92 T96	R92-T94 PolarHBondContact O-N 3.4Å; T94-T96 PolarHBondContact O-N 2.98Å
95	K	43	Very low	53.3	Low	207 Å²	207	160.2 Å²	160.2	90%	0.9	78%	0.783	S	S	*	*			trans	-40.3	99.4	175.2	-68.5	178.8	177.5	178.9	0	110.4	E93	E93-K95 PolarHBondContact O-N 3.03Å
96	T	45.8	Very low	51.6	Low	124 Å²	124	158.8 Å²	158.8	76%	0.761	79%	0.789	S	S	*	*			trans	-68.5	126	161.8	47.2	0	0	0	0	106.6	T94 A98	T94-T96 PolarHBondContact O-N 2.98Å; T96-A98 PolarHBondContact O-N 3.33Å
97	P	42.6	Very low	49.6	Very low	112 Å²	112	159.3 Å²	159.3	73%	0.727	79%	0.793	S	S	*	*			trans	-59.5	131.8	-179.6	25.4	-31.9	0	0	0	108.3	I99	P97-I99 PolarHBondContact O-N 3.48Å
98	A	39.7	Very low	47.6	Very low	94 Å²	94	162.6 Å²	162.6	78%	0.777	79%	0.793	S	S	*	*			trans	-43.1	100	178.3	0	0	0	0	0	111.3	T96 R100	T96-A98 PolarHBondContact O-N 3.33Å; A98-R100 PolarHBondContact O-N 3.02Å
99	I	41.5	Very low	45.7	Very low	156 Å²	156	159.6 Å²	159.6	80%	0.8	79%	0.79	S	S	*	*			trans	-72.3	90.8	161.4	-69.5	178.2	0	0	0	104.5	P97 Q101	P97-I99 PolarHBondContact O-N 3.48Å; I99-Q101 PolarHBondContact O-N 2.82Å
100	R	40.7	Very low	44.6	Very low	218 Å²	218	168.6 Å²	168.6	82%	0.823	82%	0.815	S	S	*	*			trans	-50.4	107.6	160.6	-78	-174.5	-179.9	-170.2	1	106.7	A98 R102	A98-R100 PolarHBondContact O-N 3.02Å; R100-R102 PolarHBondContact O-N 2.77Å
101	Q	41.3	Very low	43.2	Very low	163 Å²	163	174.2 Å²	174.2	76%	0.762	82%	0.816	S	S	*	*			trans	-63	89.5	162.2	-70.3	-171.6	-6.3	0	0	107.1	I99 Y103	I99-Q101 PolarHBondContact O-N 2.82Å; Q101-Y103 PolarHBondContact O-N 3.16Å; Q101-Y103 VanDerWaalsContact O-N 3.08Å
102	R	40.2	Very low	42.1	Very low	210 Å²	210	172.4 Å²	172.4	79%	0.792	82%	0.818	S	S	*	*			trans	-64.8	105.7	161.7	-74.7	-171.8	-173	-132.5	5.5	105.7	R100 R104	R100-R102 PolarHBondContact O-N 2.77Å; R102-R104 PolarHBondContact O-N 2.83Å
103	Y	40	Very low	41.7	Very low	207 Å²	207	169.1 Å²	169.1	81%	0.812	82%	0.818	S	S	*	*			trans	-54.2	91.8	155.8	-85.6	-90.6	0	0	0	108	Q101 F105	Q101-Y103 PolarHBondContact O-N 3.16Å; Q101-Y103 VanDerWaalsContact O-N 3.08Å; Y103-F105 PolarHBondContact O-N 2.89Å
104	R	40.2	Very low	41	Very low	224 Å²	224	165.7 Å²	165.7	85%	0.845	83%	0.825	S	S	*	*			trans	-78.4	105.1	164.9	-83.4	-173.2	170.7	-174.4	-1	106.3	R102	R102-R104 PolarHBondContact O-N 2.83Å
105	F	41.5	Very low	40.4	Very low	191 Å²	191	163.1 Å²	163.1	84%	0.838	82%	0.824	S	S	*	*			trans	-49.1	127.9	158.5	-92.4	-91.1	0	0	0	109.2	Y103 M107	Y103-F105 PolarHBondContact O-N 2.89Å; F105-M107 PolarHBondContact O-N 2.88Å
106	P	43.9	Very low	40.1	Very low	121 Å²	121	159.9 Å²	159.9	79%	0.786	82%	0.823	S	S	*	*			trans	-77.3	89	175.3	30.3	-30.2	0	0	0	108.9	R108	P106-R108 VanDerWaalsContact C-N 3.31Å; P106-R108 PolarHBondContact O-N 2.84Å; P106-R108 VanDerWaalsContact O-N 3.08Å
107	M	38.4	Very low	39.8	Very low	189 Å²	189	157.6 Å²	157.6	93%	0.931	83%	0.825	S	S	*	*			trans	-74.4	89.2	161	-89.6	-70.3	-167.2	0	0	108.3	F105	F105-M107 PolarHBondContact O-N 2.88Å
108	R	39.6	Very low	39.6	Very low	247 Å²	247	157.4 Å²	157.4	93%	0.932	83%	0.833	S	S	*	*			trans	-95.4	104.5	172.8	-149.4	-178.8	-167.2	-167.3	4.3	109.3	P106	P106-R108 VanDerWaalsContact C-N 3.31Å; P106-R108 PolarHBondContact O-N 2.84Å; P106-R108 VanDerWaalsContact O-N 3.08Å
109	G	36.9	Very low	39.5	Very low	72 Å²	72	155.7 Å²	155.7	74%	0.742	82%	0.824	S	S	*	*			trans	80.3	95.4	138.5	0	0	0	0	0	118.7
110	R	40.2	Very low	39.3	Very low	248 Å²	248	159.2 Å²	159.2	94%	0.936	83%	0.829	S	S	*	*			trans	-130	101.2	134.1	-117.9	-169	-173	-97.4	3.2	109.8
111	R	40.3	Very low	39.2	Very low	246 Å²	246	153.4 Å²	153.4	93%	0.928	82%	0.822	S	S	*	*			trans	-68.6	141.9	162.1	-89.7	177.9	170.6	169.1	-3.6	109.2
112	G	37.5	Very low	38.7	Very low	64 Å²	64	156.5 Å²	156.5	66%	0.66	83%	0.827	S	S	*	*			trans	97.1	99.9	137.3	0	0	0	0	0	116.7
113	L	40.8	Very low	38.7	Very low	175 Å²	175	152.9 Å²	152.9	92%	0.916	83%	0.828	S	S	*	*				175.1	110.3	107.5	-115.6	65.3	0	0	0	107.2
114	G	38.3	Very low	38.4	Very low	86 Å²	86	147 Å²	147	89%	0.887	83%	0.831	S	S	*	*				70.9	118.5	111.8	0	0	0	0	0	112.7
115	G	36.2	Very low	38.3	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	83%	0.83	S	S	*	*			cis	-171	-174.7	14.8	0	0	0	0	0	109.1
116	P	37.4	Very low	37.9	Very low	138 Å²	138	142.8 Å²	142.8	90%	0.896	83%	0.834	S	S	*	*			trans	-96.7	145	-158.6	35.9	-30.6	0	0	0	113
117	G	38	Very low	37.3	Very low	77 Å²	77	142.9 Å²	142.9	79%	0.794	84%	0.838	S	S	*	*			trans	175.6	88.7	172.5	0	0	0	0	0	114.7
118	A	38.8	Very low	37.2	Very low	107 Å²	107	137.3 Å²	137.3	88%	0.884	83%	0.829	S	S	*	*			trans	36.7	127.2	142.4	0	0	0	0	0	120.7
119	G	37.5	Very low	37	Very low	59 Å²	59	135.8 Å²	135.8	61%	0.608	83%	0.825	S	S	*	*			trans	128.5	100.2	130.1	0	0	0	0	0	116.1
120	Y	37.3	Very low	37.1	Very low	230 Å²	230	141.3 Å²	141.3	90%	0.902	83%	0.831	S	S	*	*			trans	7.6	135.9	137.9	-32.1	-82.5	0	0	0	115.7
121	S	38.6	Very low	36.8	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	83%	0.825	S	S	*	*				171.6	142.5	50.7	-171.9	0	0	0	0	106.5
122	W	32.1	Very low	36.6	Very low	229 Å²	229	134 Å²	134	87%	0.867	82%	0.824	S	S	*	*			trans	28.5	118.9	139.3	-64.7	85.3	0	0	0	117.4
123	T	38.6	Very low	36.3	Very low	134 Å²	134	134.3 Å²	134.3	82%	0.822	83%	0.827	S	S	*	*				178.1	159.7	78.5	11.8	0	0	0	0	109.5
124	G	35.4	Very low	36	Very low	84 Å²	84	133.6 Å²	133.6	87%	0.866	82%	0.824	S	S	*	*			trans	-63.3	170	-170.5	0	0	0	0	0	116.5
125	G	37	Very low	35.8	Very low	81 Å²	81	138.5 Å²	138.5	84%	0.835	82%	0.824	S	S	*	*			trans	153.9	74.8	166.7	0	0	0	0	0	115.9
126	R	32.6	Very low	35.7	Very low	245 Å²	245	139.2 Å²	139.2	93%	0.925	83%	0.831	S	S	*	*			trans	-16.1	139.3	152.1	-156.4	-173.4	-174.2	-164	1.6	117.3
127	S	32.8	Very low	35.6	Very low	122 Å²	122	135.4 Å²	135.4	85%	0.853	82%	0.817	S	S	*	*			trans	85.7	122.5	147.1	-156.9	0	0	0	0	118.9
128	G	35.9	Very low	35.6	Very low	73 Å²	73	138.3 Å²	138.3	75%	0.753	82%	0.819	S	S	*	*			trans	162.1	101.2	162.5	0	0	0	0	0	115
129	Y	35	Very low	35.7	Very low	214 Å²	214	141.2 Å²	141.2	84%	0.839	82%	0.819	S	S	*	*			trans	-34.6	146.8	164.6	-87.5	-105.7	0	0	0	117.2
130	Q	38.5	Very low	35.8	Very low	188 Å²	188	144.1 Å²	144.1	88%	0.879	82%	0.821	S	S	*	*			trans	178.7	109.1	131	-98.5	167.1	-10.1	0	0	108.7
131	M	33.5	Very low	36	Very low	165 Å²	165	143.3 Å²	143.3	81%	0.813	82%	0.816	S	S	*	*				63.3	99.8	81.5	-65.2	-68.1	-104.8	0	0	114.4
132	I	36	Very low	36.2	Very low	177 Å²	177	148.2 Å²	148.2	91%	0.908	83%	0.826	S	S	*	*			trans	-168.1	121.6	148.4	-92.5	150.4	0	0	0	102.6
133	G	32.4	Very low	36.9	Very low	70 Å²	70	141.1 Å²	141.1	72%	0.722	80%	0.804	S	S	*	*			cis	122.7	86.1	30.8	0	0	0	0	0	106.4
134	N	35.2	Very low	37.2	Very low	159 Å²	159	145.6 Å²	145.6	85%	0.85	81%	0.806	S	S	*	*			trans	-158	139.2	151.9	-149.1	10.7	0	0	0	112.9
135	Q	33.6	Very low	37.6	Very low	189 Å²	189	147 Å²	147	88%	0.883	80%	0.803	S	S	*	*			trans	-71.7	144.9	-169.2	-63.4	168.9	4.6	0	0	112.3
136	G	34.3	Very low	38.1	Very low	87 Å²	87	144.4 Å²	144.4	90%	0.897	77%	0.773	S	S	*	*			trans	151.5	8.9	164.3	0	0	0	0	0	119.6
137	G	34.8	Very low	39.5	Very low	58 Å²	58	136.1 Å²	136.1	60%	0.598	75%	0.753	S	S	*	*			trans	-131.3	61.3	-166.3	0	0	0	0	0	116.8
138	V	37.7	Very low	40.7	Very low	138 Å²	138	136.7 Å²	136.7	84%	0.836	75%	0.746	S	S	*	*	S	Bend	trans	-88.9	-8.4	178.4	-168.8	0	0	0	0	113.4
139	L	40	Very low	41.7	Very low	168 Å²	168	139.7 Å²	139.7	88%	0.88	74%	0.735	S	S	*	*	S	Bend	trans	-100.8	-4.6	-176.7	-83.8	154.5	0	0	0	115.9
140	N	40.6	Very low	42.8	Very low	121 Å²	121	134.8 Å²	134.8	65%	0.647	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	14.5	-165.4	-130.7	-2.4	0	0	0	115.8
141	R	41.3	Very low	44	Very low	212 Å²	212	132 Å²	132	80%	0.8	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-10	-176.8	-109.2	-176.2	-70.9	-164.1	-0.4	115.4
142	K	43.6	Very low	45.3	Very low	199 Å²	199	129.7 Å²	129.7	87%	0.865	69%	0.689	S	S	*	*	S	Bend	trans	-96.9	1.5	179.7	-77.6	-172.7	174.2	-176	0	115.3
143	L	45.8	Very low	46.5	Very low	79 Å²	79	125.8 Å²	125.8	41%	0.414	67%	0.669	S	S	.	*	S	Bend	trans	-101.6	12	-176.4	-96.7	147.4	0	0	0	114.7	R151	L143-R151 PolarHBondContact O-NH2 3.37Å
144	R	44.8	Very low	47.8	Very low	228 Å²	228	127.1 Å²	127.1	86%	0.86	66%	0.659	S	S	*	*	S	Bend	trans	-93.3	-3.5	-179.7	-73.9	-171.5	177.7	-156.2	-1.2	114.3
145	S	44.2	Very low	49	Very low	115 Å²	115	126.7 Å²	126.7	80%	0.804	65%	0.651	S	S	*	*	S	Bend	trans	-114	8	175.6	73.6	0	0	0	0	114.2
146	A	47.5	Very low	50	Low	25 Å²	25	121.4 Å²	121.4	21%	0.207	63%	0.627	C	S	.	*			trans	-83.8	129.2	178.4	0	0	0	0	0	109.8	E150	A146-E150 WeakPolarHBondContact CA-OE2 3.11Å; A146-E150 HydrophobicContact CB-CB 4.19Å; A146-E150 WeakPolarHBondContact CB-OE2 3.35Å
147	S	62.2	Low	51	Low	71 Å²	71	122.3 Å²	122.3	50%	0.497	61%	0.611	S	S	.	*			trans	-60.2	153.3	175.6	71	0	0	0	0	111	R149 E150 R151	S147-R149 PolarHBondContact O-N 2.94Å; S147-E150 WeakPolarHBondContact O-CB 3.39Å; S147-E150 PolarHBondContact O-N 2.95Å; S147-R151 PolarHBondContact O-N 3.3Å
148	D	56.9	Low	51.7	Low	135 Å²	135	129.3 Å²	129.3	72%	0.722	62%	0.619	S	S	*	*	H	α-helix	trans	-55.9	-27.1	179.5	-70.7	-41.3	0	0	0	112.8	R151 M152	D148-R151 PolarHBondContact O-N 2.87Å; D148-M152 PolarHBondContact O-N 3.26Å
149	R	58	Low	51.8	Low	136 Å²	136	130 Å²	130	51%	0.513	61%	0.607	S	S	.	*	H	α-helix	trans	-65.3	-42.5	174.2	-172.8	179.4	177.1	107.6	-0.2	112.6	S147 R151 M152 M153	S147-R149 PolarHBondContact O-N 2.94Å; R149-R151 VanDerWaalsContact C-N 3.32Å; R149-M152 PolarHBondContact O-N 2.84Å; R149-M153 PolarHBondContact O-N 2.8Å
150	E	58.8	Low	51.7	Low	110 Å²	110	130 Å²	130	51%	0.514	60%	0.595	S	S	.	*	H	α-helix	trans	-65.5	-38.2	177.5	-124.9	178.4	165.4	0	0	110.9	A146 S147 L154	A146-E150 WeakPolarHBondContact CA-OE2 3.11Å; A146-E150 HydrophobicContact CB-CB 4.19Å; A146-E150 WeakPolarHBondContact CB-OE2 3.35Å; S147-E150 WeakPolarHBondContact O-CB 3.39Å; S147-E150 PolarHBondContact O-N 2.95Å; E150-L154 WeakPolarHBondContact O-CB 3.5Å; E150-L154 PolarHBondContact O-N 3.07Å; E150-L154 VanDerWaalsContact O-N 3.15Å
151	R	63.1	Low	52.1	Low	131 Å²	131	132.6 Å²	132.6	49%	0.494	60%	0.604	S	S	.	*	H	α-helix	trans	-63.6	-43.1	172.7	-81.2	-179.8	-178.5	-122.5	-4.4	112.2	L143 S147 D148 R149 Q155	L143-R151 PolarHBondContact O-NH2 3.37Å; S147-R151 PolarHBondContact O-N 3.3Å; D148-R151 PolarHBondContact O-N 2.87Å; R149-R151 VanDerWaalsContact C-N 3.32Å; R151-Q155 WeakPolarHBondContact O-CB 2.9Å; R151-Q155 PolarHBondContact O-N 3.06Å; R151-Q155 VanDerWaalsContact O-N 3.08Å
152	M	60.7	Low	52.2	Low	115 Å²	115	130.7 Å²	130.7	57%	0.567	60%	0.604	S	S	*	*	H	α-helix	trans	-67.2	-44.4	179.4	-101.8	-177.3	156.3	0	0	112.8	D148 R149 L154 Q155 Q156 T338	D148-M152 PolarHBondContact O-N 3.26Å; R149-M152 PolarHBondContact O-N 2.84Å; M152-L154 PolarHBondContact O-N 2.89Å; M152-Q155 PolarHBondContact O-N 3.08Å; M152-Q156 PolarHBondContact O-N 2.88Å; M152-T338 HydrophobicContact CE-CG2 4.39Å
153	M	60.9	Low	51.8	Low	96 Å²	96	132 Å²	132	47%	0.473	60%	0.603	S	S	.	*	H	α-helix	trans	-62.1	-43.1	177.3	-89.4	-159.5	171.1	0	0	112.3	R149 Q155 Q156 N157	R149-M153 PolarHBondContact O-N 2.8Å; M153-Q155 VanDerWaalsContact C-N 3.29Å; M153-Q155 PolarHBondContact O-N 3.14Å; M153-Q156 PolarHBondContact O-N 2.87Å; M153-N157 PolarHBondContact O-N 2.85Å
154	L	60.5	Low	51.5	Low	98 Å²	98	130.9 Å²	130.9	51%	0.513	61%	0.611	S	S	.	*	H	α-helix	trans	-65.6	-32	176.4	-87.1	156.2	0	0	0	112.8	E150 M152 R158	E150-L154 WeakPolarHBondContact O-CB 3.5Å; E150-L154 PolarHBondContact O-N 3.07Å; E150-L154 VanDerWaalsContact O-N 3.15Å; M152-L154 PolarHBondContact O-N 2.89Å; L154-R158 PolarHBondContact O-N 3.18Å
155	Q	60	Low	51.3	Low	149 Å²	149	126.3 Å²	126.3	70%	0.696	61%	0.611	S	S	*	*	H	α-helix	trans	-75	-33.5	177.3	-152.7	175.6	42.3	0	0	112	R151 M152 M153	R151-Q155 WeakPolarHBondContact O-CB 2.9Å; R151-Q155 PolarHBondContact O-N 3.06Å; R151-Q155 VanDerWaalsContact O-N 3.08Å; M152-Q155 PolarHBondContact O-N 3.08Å; M153-Q155 VanDerWaalsContact C-N 3.29Å; M153-Q155 PolarHBondContact O-N 3.14Å
156	Q	54.3	Low	51	Low	78 Å²	78	130.2 Å²	130.2	36%	0.364	62%	0.616	S	S	.	*	H	α-helix	trans	-69.1	-41.2	173.7	-163.7	175.4	21	0	0	111.6	M152 M153 R158 R159 W160	M152-Q156 PolarHBondContact O-N 2.88Å; M153-Q156 PolarHBondContact O-N 2.87Å; Q156-R158 PolarHBondContact O-N 3.27Å; Q156-R159 PolarHBondContact O-N 3.26Å; Q156-W160 VanDerWaalsContact O-CD1 3.26Å
157	N	55.6	Low	50.6	Low	107 Å²	107	132.8 Å²	132.8	57%	0.572	65%	0.646	S	S	*	*	H	α-helix	trans	-69.4	-28.7	179.8	-105.3	2.4	0	0	0	114.3	M153 R159	M153-N157 PolarHBondContact O-N 2.85Å; N157-R159 VanDerWaalsContact C-N 3.33Å
158	R	49.4	Very low	49.3	Very low	204 Å²	204	137 Å²	137	77%	0.77	67%	0.668	S	S	*	*	H	α-helix	trans	-75.8	-20.3	173.9	-73.5	-163.8	-169.5	-150.8	3.8	113.7	L154 Q156	L154-R158 PolarHBondContact O-N 3.18Å; Q156-R158 PolarHBondContact O-N 3.27Å
159	R	39.5	Very low	48.3	Very low	152 Å²	152	133.5 Å²	133.5	57%	0.574	66%	0.664	S	S	*	*	H	α-helix	trans	-76.7	-24.2	-176.3	-151.9	173.8	99.7	-173.6	9.1	112.9	Q156 N157	Q156-R159 PolarHBondContact O-N 3.26Å; N157-R159 VanDerWaalsContact C-N 3.33Å
160	W	38.8	Very low	47.4	Very low	168 Å²	168	135.2 Å²	135.2	64%	0.636	68%	0.678	S	S	*	*	S	Bend	trans	-90.7	-15.6	-177.5	-69	109.7	0	0	0	114.7	Q156 H162	Q156-W160 VanDerWaalsContact O-CD1 3.26Å; W160-H162 VanDerWaalsContact C-N 3.29Å; W160-H162 PolarHBondContact O-N 2.88Å
161	Q	47.8	Very low	46.6	Very low	177 Å²	177	140.7 Å²	140.7	83%	0.827	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-4.1	179.2	-67	-152	3	0	0	114.7
162	H	43	Very low	45.3	Very low	172 Å²	172	146.9 Å²	146.9	80%	0.796	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	0.6	-177.3	-113.9	-61.1	0	0	0	115	W160	W160-H162 VanDerWaalsContact C-N 3.29Å; W160-H162 PolarHBondContact O-N 2.88Å
163	W	35.7	Very low	44.2	Very low	225 Å²	225	145 Å²	145	85%	0.852	73%	0.727	S	S	*	*			trans	-110.2	31.1	-176.5	-78.7	96.3	0	0	0	114.4
164	G	39.8	Very low	42.9	Very low	56 Å²	56	143.9 Å²	143.9	58%	0.577	74%	0.74	S	S	*	*			trans	-86.4	131.9	169.5	0	0	0	0	0	112.3	Q166	G164-Q166 VanDerWaalsContact C-N 3.35Å; G164-Q166 PolarHBondContact O-N 3.29Å
165	P	40.3	Very low	42	Very low	133 Å²	133	145.5 Å²	145.5	86%	0.864	75%	0.754	S	S	*	*	S	Bend	trans	-83.1	72.8	-177.8	33.7	-33.1	0	0	0	111
166	Q	38.6	Very low	41	Very low	196 Å²	196	146.9 Å²	146.9	92%	0.916	76%	0.761	S	S	*	*			trans	-165.2	96.8	168.8	-112.8	173.1	22.8	0	0	110.3	G164	G164-Q166 VanDerWaalsContact C-N 3.35Å; G164-Q166 PolarHBondContact O-N 3.29Å
167	G	38.9	Very low	40.1	Very low	80 Å²	80	146.6 Å²	146.6	83%	0.825	78%	0.778	S	S	*	*			trans	-170.5	31.6	-179.9	0	0	0	0	0	114.4	G169	G167-G169 PolarHBondContact O-N 2.74Å
168	V	35.7	Very low	39.2	Very low	160 Å²	160	152.3 Å²	152.3	97%	0.97	79%	0.792	S	S	*	*			trans	-83.3	106.8	168.7	-178.9	0	0	0	0	107.2
169	G	35.9	Very low	38.5	Very low	61 Å²	61	154.2 Å²	154.2	63%	0.629	80%	0.799	S	S	*	*			trans	173.4	96.4	175.1	0	0	0	0	0	115.5	G167	G167-G169 PolarHBondContact O-N 2.74Å
170	Q	39.1	Very low	38.5	Very low	171 Å²	171	152.4 Å²	152.4	80%	0.799	81%	0.81	S	S	*	*			trans	47.4	122.1	138.3	-57.1	177.8	-16.4	0	0	117.3
171	R	40.9	Very low	38.3	Very low	225 Å²	225	152.3 Å²	152.3	85%	0.849	82%	0.822	S	S	*	*				-176	122.2	74.6	-78.9	171.9	-177.7	-117.9	-3	106.5
172	R	35.6	Very low	38	Very low	262 Å²	262	148.5 Å²	148.5	99%	0.989	82%	0.82	S	S	*	*				65.3	111.4	76.6	-157.1	-178.9	-169.9	-174.3	3.3	114.3
173	G	37.3	Very low	37.7	Very low	76 Å²	76	143 Å²	143	78%	0.784	81%	0.81	S	S	*	*			trans	129.1	89.4	166	0	0	0	0	0	111.4
174	G	34.7	Very low	37.7	Very low	72 Å²	72	137.1 Å²	137.1	74%	0.742	81%	0.809	S	S	*	*				81.8	108.2	80.9	0	0	0	0	0	108.7
175	T	41.1	Very low	37.5	Very low	131 Å²	131	146.5 Å²	146.5	80%	0.804	83%	0.828	S	S	*	*				-174.9	116.9	84.7	-61	0	0	0	0	110.1
176	Q	38.4	Very low	37.3	Very low	179 Å²	179	144.1 Å²	144.1	84%	0.836	83%	0.827	S	S	*	*				43.9	110.2	129.6	-149.2	169.3	-0.5	0	0	119.6
177	G	36.7	Very low	37.5	Very low	71 Å²	71	139.1 Å²	139.1	73%	0.732	81%	0.814	S	S	*	*			trans	-179.8	57.5	175.7	0	0	0	0	0	118
178	W	36.1	Very low	37.7	Very low	227 Å²	227	140.7 Å²	140.7	86%	0.86	80%	0.804	S	S	*	*			trans	52	98.8	144.7	-65.6	84.2	0	0	0	121.4
179	R	34.1	Very low	38.1	Very low	244 Å²	244	138.1 Å²	138.1	92%	0.921	79%	0.793	S	S	*	*			trans	6	116.2	138.7	-63.4	-179.7	176.6	-134.6	-1.6	117.5
180	S	39.7	Very low	38.5	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	79%	0.794	S	S	*	*			trans	-156.5	107.4	140.3	172.9	0	0	0	0	110.8	A182	S180-A182 PolarHBondContact O-N 3.3Å; S180-A182 VanDerWaalsContact O-N 3.16Å
181	N	34.4	Very low	38.6	Very low	167 Å²	167	143.1 Å²	143.1	89%	0.893	79%	0.794	S	S	*	*			trans	-26.9	101.2	158.6	-166.6	33.8	0	0	0	114.6
182	A	40.9	Very low	38.4	Very low	96 Å²	96	142.9 Å²	142.9	79%	0.793	79%	0.794	S	S	*	*			trans	-136.9	97.5	162.2	0	0	0	0	0	107.9	S180	S180-A182 PolarHBondContact O-N 3.3Å; S180-A182 VanDerWaalsContact O-N 3.16Å
183	G	37.2	Very low	38.5	Very low	56 Å²	56	135.4 Å²	135.4	58%	0.577	77%	0.77	S	S	*	*			trans	-60.8	141.9	-174.7	0	0	0	0	0	114.1	W185	G183-W185 PolarHBondContact O-N 3Å
184	A	37	Very low	38.4	Very low	102 Å²	102	135.8 Å²	135.8	84%	0.843	77%	0.766	S	S	*	*	S	Bend		58.4	48.1	127.1	0	0	0	0	0	118.2
185	W	35.5	Very low	38.6	Very low	254 Å²	254	141.3 Å²	141.3	96%	0.962	77%	0.772	S	S	*	*			trans	-139.2	27.1	168.7	-82.6	80.3	0	0	0	114	G183	G183-W185 PolarHBondContact O-N 3Å
186	G	35.8	Very low	39.2	Very low	83 Å²	83	142.4 Å²	142.4	86%	0.856	76%	0.761	S	S	*	*			trans	-126.3	40.9	-168	0	0	0	0	0	116.7
187	S	42.8	Very low	40.2	Very low	91 Å²	91	137.4 Å²	137.4	64%	0.636	75%	0.75	S	S	*	*			trans	-146	15.8	177.7	-163.6	0	0	0	0	115.4
188	N	42.4	Very low	41.9	Very low	113 Å²	113	139.5 Å²	139.5	60%	0.604	75%	0.749	S	S	*	*			trans	-91.5	7.5	178.1	-88.8	-0.5	0	0	0	114.7
189	S	44.4	Very low	44.1	Very low	106 Å²	106	131.5 Å²	131.5	74%	0.741	72%	0.718	S	S	*	*	S	Bend	trans	-81.8	-26.2	175.1	-173.1	0	0	0	0	112.9
190	D	43.4	Very low	46.4	Very low	124 Å²	124	126.4 Å²	126.4	66%	0.663	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-85.9	-18.2	179.5	-84.4	-35.5	0	0	0	113.4	R192	D190-R192 PolarHBondContact O-N 2.82Å
191	R	41.4	Very low	48.4	Very low	212 Å²	212	123 Å²	123	80%	0.8	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-80.1	0.6	174.4	-75.9	-175.4	-172.4	166.7	2.4	114.5
192	R	38.1	Very low	50.8	Low	220 Å²	220	116.5 Å²	116.5	83%	0.83	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-103.2	8.7	177.2	-68.7	-174.3	-178.2	178.3	-0.4	113.4	D190 A194	D190-R192 PolarHBondContact O-N 2.82Å; R192-A194 PolarHBondContact O-N 3.2Å; R192-A194 VanDerWaalsContact O-N 3.11Å
193	Q	36.5	Very low	53	Low	106 Å²	106	112.7 Å²	112.7	50%	0.495	62%	0.622	S	S	.	*	S	Bend	trans	-68.5	109.6	158.8	-92.6	170.5	10.9	0	0	106.6	H195	Q193-H195 PolarHBondContact O-N 2.79Å
194	A	36.3	Very low	55.3	Low	84 Å²	84	118.1 Å²	118.1	69%	0.694	63%	0.632	S	S	*	*			trans	-44.4	108.7	164	0	0	0	0	0	106.6	R192 R196	R192-A194 PolarHBondContact O-N 3.2Å; R192-A194 VanDerWaalsContact O-N 3.11Å; A194-R196 PolarHBondContact O-N 3.12Å
195	H	37.6	Very low	57.6	Low	188 Å²	188	116.6 Å²	116.6	87%	0.87	61%	0.609	S	S	*	*			trans	-59.8	88.9	164	-90.1	-95.7	0	0	0	104	Q193 A197	Q193-H195 PolarHBondContact O-N 2.79Å; H195-A197 VanDerWaalsContact C-N 3.31Å; H195-A197 PolarHBondContact O-N 2.83Å
196	R	53.9	Low	60	Low	154 Å²	154	108.5 Å²	108.5	58%	0.581	58%	0.581	S	S	*	*			trans	-54	112.1	158	-77.2	-177.9	174.7	176.9	-3.6	102.9	A194 V198	A194-R196 PolarHBondContact O-N 3.12Å; R196-V198 PolarHBondContact O-N 2.87Å; R196-V198 VanDerWaalsContact O-N 3.15Å
197	A	60.8	Low	62.3	Low	73 Å²	73	113 Å²	113	60%	0.603	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-46.7	127.4	173.5	0	0	0	0	0	106.7	H195 R199	H195-A197 VanDerWaalsContact C-N 3.31Å; H195-A197 PolarHBondContact O-N 2.83Å; A197-R199 PolarHBondContact O-N 3.13Å; A197-R199 VanDerWaalsContact O-N 3.08Å
198	V	72.5	Confident	64.4	Low	116 Å²	116	113.3 Å²	113.3	70%	0.703	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-59.7	117.7	173	177	0	0	0	0	104.5	R196	R196-V198 PolarHBondContact O-N 2.87Å; R196-V198 VanDerWaalsContact O-N 3.15Å
199	R	81.3	Confident	66.7	Low	58 Å²	58	108.9 Å²	108.9	22%	0.219	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-76.9	140.9	178.2	-69.3	-178.8	-176.4	81.2	1.8	108.4	A197 P574 N575	A197-R199 PolarHBondContact O-N 3.13Å; A197-R199 VanDerWaalsContact O-N 3.08Å; R199-P574 HydrophobicContact CB-CB 3.82Å; R199-P574 WeakPolarHBondContact O-CB 2.96Å; R199-N575 PolarHBondContact N-OD1 3.38Å; R199-N575 PolarHBondContact O-ND2 2.88Å
200	D	81.8	Confident	68.9	Low	137 Å²	137	107.7 Å²	107.7	73%	0.733	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-75.9	154.9	171.6	-59.7	-45	0	0	0	109.7	P306 P574	D200-P306 WeakPolarHBondContact O-CG 3.47Å; D200-P574 VanDerWaalsContact O-CB 3.23Å; D200-P574 WeakPolarHBondContact O-CB 3.37Å
201	A	82.8	Confident	71.2	Confident	42 Å²	42	106.7 Å²	106.7	35%	0.347	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-73.1	155.1	174.8	0	0	0	0	0	109.8	I203 P574	A201-I203 WeakPolarHBondContact CB-O 3.4Å; A201-I203 PolarHBondContact O-N 2.94Å; A201-P574 HydrophobicContact CB-CG 4.13Å
202	S	85.1	Confident	73.7	Confident	32 Å²	32	99.7 Å²	99.7	22%	0.224	51%	0.514	C	S	.	.	S	Bend	trans	-65.2	-21.9	175.5	55.5	0	0	0	0	112.7	D308 R323	S202-D308 WeakPolarHBondContact CB-OD1 3.39Å; S202-D308 PolarHBondContact OG-OD1 2.79Å; S202-R323 PolarHBondContact O-NH1 3.13Å; S202-R323 PolarHBondContact O-NH2 3.3Å
203	I	85.6	Confident	76.3	Confident	15 Å²	15	91.8 Å²	91.8	8%	0.077	49%	0.486	C	S	.	.	S	Bend	trans	-143	142.8	179.5	-165.9	163.8	0	0	0	110.6	A201 I205 W209 D308 L569 L571	A201-I203 WeakPolarHBondContact CB-O 3.4Å; A201-I203 PolarHBondContact O-N 2.94Å; I203-I205 PolarHBondContact O-N 2.67Å; I203-W209 HydrophobicContact CD1-CH2 3.62Å; I203-W209 HydrophobicContact CD1-CZ3 4.37Å; I203-W209 HydrophobicContact CG1-CH2 3.88Å; I203-W209 HydrophobicContact CG1-CZ3 4.43Å; I203-W209 HydrophobicContact CG2-CZ3 4.3Å; I203-D308 HydrophobicContact CG2-CB 4.49Å; I203-L569 HydrophobicContact CD1-CD2 4.14Å; I203-L569 HydrophobicContact CG2-CD2 3.82Å; I203-L571 HydrophobicContact CG2-CD2 4.33Å
204	Q	85.7	Confident	79.1	Confident	171 Å²	171	90.5 Å²	90.5	80%	0.799	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-75.5	116.9	175.5	-64.3	-172.2	11.7	0	0	109.5	K206	Q204-K206 PolarHBondContact O-N 3.23Å
205	I	85.4	Confident	81.8	Confident	70 Å²	70	86.8 Å²	86.8	36%	0.359	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-74.5	116.5	179.5	-60.5	165.8	0	0	0	108.5	I203 W209 L571 Y582	I203-I205 PolarHBondContact O-N 2.67Å; I205-W209 HydrophobicContact CB-CE3 4.43Å; I205-W209 HydrophobicContact CG2-CE3 4.1Å; I205-L571 HydrophobicContact CD1-CD2 4.32Å; I205-L571 HydrophobicContact CG1-CD2 4.28Å; I205-Y582 HydrophobicContact CD1-CE2 4.29Å; I205-Y582 HydrophobicContact CG2-CD1 4.42Å; I205-Y582 HydrophobicContact CG2-CE1 3.86Å
206	K	86.2	Confident	84.4	Confident	84 Å²	84	80.6 Å²	80.6	37%	0.365	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-81.5	150.6	178.3	-66.2	172.8	172.2	164	0	111.5	Q204 N208 W209 E593	Q204-K206 PolarHBondContact O-N 3.23Å; K206-N208 WeakPolarHBondContact CB-OD1 3.48Å; K206-N208 PolarHBondContact O-N 3.16Å; K206-W209 HydrophobicContact CB-CD2 4.3Å; K206-W209 HydrophobicContact CB-CG 4.31Å; K206-W209 HydrophobicContact CD-CZ2 4.17Å; K206-W209 HydrophobicContact CG-CZ2 4.36Å; K206-W209 WeakPolarHBondContact O-CB 3.34Å; K206-W209 PolarHBondContact O-N 3.29Å; K206-W209 VanDerWaalsContact O-N 3.09Å; K206-E593 WeakPolarHBondContact CE-OE1 3.3Å; K206-E593 IonicContact NZ-OE1 2.67Å; K206-E593 PolarHBondContact NZ-OE1 3.16Å
207	D	85.2	Confident	86.3	Confident	176 Å²	176	73.9 Å²	73.9	94%	0.941	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.2	-178.3	-71.3	-23.8	0	0	0	113.8	W209	D207-W209 VanDerWaalsContact C-N 3.29Å
208	N	86.9	Confident	87.9	Confident	98 Å²	98	73.1 Å²	73.1	52%	0.524	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.4	177.8	65.3	-14.7	0	0	0	113.5	K206	K206-N208 WeakPolarHBondContact CB-OD1 3.48Å; K206-N208 PolarHBondContact O-N 3.16Å
209	W	90	Very high	89	Confident	20 Å²	20	73.5 Å²	73.5	8%	0.076	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-86.5	135.5	176.9	-63.8	1.5	0	0	0	110.8	I203 I205 K206 D207 L569 Y582 V584	I203-W209 HydrophobicContact CD1-CH2 3.62Å; I203-W209 HydrophobicContact CD1-CZ3 4.37Å; I203-W209 HydrophobicContact CG1-CH2 3.88Å; I203-W209 HydrophobicContact CG1-CZ3 4.43Å; I203-W209 HydrophobicContact CG2-CZ3 4.3Å; I205-W209 HydrophobicContact CB-CE3 4.43Å; I205-W209 HydrophobicContact CG2-CE3 4.1Å; K206-W209 HydrophobicContact CB-CD2 4.3Å; K206-W209 HydrophobicContact CB-CG 4.31Å; K206-W209 HydrophobicContact CD-CZ2 4.17Å; K206-W209 HydrophobicContact CG-CZ2 4.36Å; K206-W209 WeakPolarHBondContact O-CB 3.34Å; K206-W209 PolarHBondContact O-N 3.29Å; K206-W209 VanDerWaalsContact O-N 3.09Å; D207-W209 VanDerWaalsContact C-N 3.29Å; W209-L569 HydrophobicContact CE3-CD2 4.03Å; W209-L569 HydrophobicContact CH2-CD2 3.74Å; W209-L569 HydrophobicContact CZ3-CD2 3.29Å; W209-Y582 HydrophobicContact CB-CD1 4.02Å; W209-V584 HydrophobicContact CD2-CG2 4.27Å
210	T	90.6	Very high	89.6	Confident	82 Å²	82	70.9 Å²	70.9	50%	0.503	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.7	-179.8	54.7	0	0	0	0	110.3	Y582 S583	T210-Y582 CarbonylContact O-C 3.55Å; T210-Y582 VanDerWaalsContact O-CA 3.28Å; T210-Y582 WeakPolarHBondContact O-CA 3.34Å; T210-S583 PolarHBondContact N-O 3.23Å; T210-S583 PolarHBondContact O-N 3.17Å; T210-S583 WeakPolarHBondContact OG1-CB 3.22Å
211	M	92.4	Very high	90.2	Very high	103 Å²	103	67 Å²	67	51%	0.507	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.6	175.6	-171.3	-82.6	-68.4	0	0	109.7	Y582	M211-Y582 HydrophobicContact CB-CD1 3.99Å; M211-Y582 HydrophobicContact CB-CE1 3.63Å; M211-Y582 HydrophobicContact CG-CE1 4.06Å
212	L	93.4	Very high	90.8	Very high	64 Å²	64	73.3 Å²	73.3	34%	0.335	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-55.4	-173	-62.1	167.1	0	0	0	112.1	F559 M563 Y568 I581	L212-F559 HydrophobicContact CB-CZ 4.16Å; L212-M563 HydrophobicContact CD1-CE 3.62Å; L212-M563 HydrophobicContact CD2-CE 3.77Å; L212-M563 HydrophobicContact CG-CE 4.18Å; L212-Y568 HydrophobicContact CD1-CD1 3.62Å; L212-Y568 HydrophobicContact CD1-CE1 3.72Å; L212-I581 HydrophobicContact CD1-CG2 4.16Å; L212-I581 PolarHBondContact N-O 2.83Å
213	E	93.2	Very high	91.2	Very high	55 Å²	55	74.3 Å²	74.3	26%	0.257	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149	179.7	-174	163.9	-174.9	0	0	111.5	L215 R219 F559 I581	E213-L215 HydrophobicContact CG-CD2 4.06Å; E213-L215 HydrophobicContact CG-CG 4.32Å; E213-L215 VanDerWaalsContact OE1-CD2 3.3Å; E213-L215 WeakPolarHBondContact OE1-CD2 3.24Å; E213-R219 IonicContact OE1-NH1 3.66Å; E213-R219 IonicContact OE1-NH2 3.56Å; E213-R219 PolarHBondContact OE1-NH2 3.17Å; E213-F559 HydrophobicContact CB-CE2 3.68Å; E213-F559 HydrophobicContact CB-CZ 3.89Å; E213-F559 HydrophobicContact CG-CE2 4.38Å; E213-F559 WeakPolarHBondContact OE2-CD2 3.45Å; E213-F559 WeakPolarHBondContact OE2-CE2 3.35Å; E213-I581 PolarHBondContact O-N 3.17Å
214	E	93.5	Very high	91.7	Very high	79 Å²	79	76.7 Å²	76.7	37%	0.369	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.5	168	-173	171.1	120.9	0	0	109.5	V578 L579 R580	E214-V578 HydrophobicContact CG-CB 3.87Å; E214-V578 HydrophobicContact CG-CG1 4.31Å; E214-V578 HydrophobicContact CG-CG2 4.05Å; E214-L579 CarbonylContact C-O 3.6Å; E214-L579 WeakPolarHBondContact CA-O 3.29Å; E214-R580 HydrophobicContact CG-CG 4.24Å; E214-R580 IonicContact OE2-CZ 3.67Å; E214-R580 IonicContact OE2-NE 2.97Å; E214-R580 PolarHBondContact OE2-NE 3.31Å; E214-R580 IonicContact OE2-NH2 3.46Å; E214-R580 PolarHBondContact OE2-NH2 3.17Å
215	L	93.3	Very high	92.1	Very high	5 Å²	5	70.4 Å²	70.4	3%	0.026	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.6	179.3	-63.2	173.9	0	0	0	109.8	E213 L220 V578 L579 I581	E213-L215 HydrophobicContact CG-CD2 4.06Å; E213-L215 HydrophobicContact CG-CG 4.32Å; E213-L215 VanDerWaalsContact OE1-CD2 3.3Å; E213-L215 WeakPolarHBondContact OE1-CD2 3.24Å; L215-L220 HydrophobicContact CB-CD1 4.32Å; L215-V578 CarbonylContact O-C 3.53Å; L215-V578 WeakPolarHBondContact O-CA 3.28Å; L215-L579 HydrophobicContact CB-CB 4.31Å; L215-L579 PolarHBondContact N-O 3.34Å; L215-L579 PolarHBondContact O-N 2.6Å; L215-I581 HydrophobicContact CD1-CD1 4.25Å
216	D	93	Very high	92.5	Very high	58 Å²	58	70.4 Å²	70.4	31%	0.31	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	148	176.9	78.8	53.9	0	0	0	112.4	A218 R219 L220 V578	D216-A218 PolarHBondContact O-N 2.6Å; D216-A218 WeakPolarHBondContact OD1-CA 3.49Å; D216-A218 WeakPolarHBondContact OD1-CB 3.47Å; D216-A218 PolarHBondContact OD1-N 2.87Å; D216-R219 PolarHBondContact O-N 3.46Å; D216-R219 WeakPolarHBondContact OD1-CB 3.28Å; D216-R219 WeakPolarHBondContact OD1-CG 3.24Å; D216-R219 PolarHBondContact OD1-N 2.71Å; D216-R219 WeakPolarHBondContact OD2-CD 3.23Å; D216-R219 WeakPolarHBondContact OD2-CG 3.39Å; D216-L220 WeakPolarHBondContact O-CG 3.39Å; D216-L220 PolarHBondContact O-N 2.79Å; D216-V578 HydrophobicContact CB-CG1 4.17Å
217	F	94.3	Very high	92.6	Very high	14 Å²	14	73.6 Å²	73.6	6%	0.061	40%	0.398	C	S	.	.	H	α-helix	trans	-65.6	-24.1	-178.7	-75.8	11.1	0	0	0	113.4	L220 A221 C300 K572 P577 L579	F217-L220 HydrophobicContact CD1-CD1 4.28Å; F217-A221 VanDerWaalsContact O-CB 3.26Å; F217-A221 WeakPolarHBondContact O-CB 3.27Å; F217-A221 PolarHBondContact O-N 2.87Å; F217-C300 VanDerWaalsContact CE2-O 3.24Å; F217-C300 WeakPolarHBondContact CE2-O 3.19Å; F217-C300 WeakPolarHBondContact CZ-O 3.47Å; F217-K572 HydrophobicContact CE1-CD 4.03Å; F217-K572 HydrophobicContact CZ-CD 3.59Å; F217-P577 HydrophobicContact CB-CB 4.29Å; F217-P577 WeakPolarHBondContact CB-O 3.48Å; F217-P577 WeakPolarHBondContact CD1-O 3.48Å; F217-P577 HydrophobicContact CD2-CB 3.59Å; F217-P577 HydrophobicContact CE2-CB 4.08Å; F217-P577 HydrophobicContact CG-CB 3.92Å; F217-P577 WeakPolarHBondContact CG-O 3.42Å; F217-P577 PolarHBondContact N-O 3.19Å; F217-P577 VanDerWaalsContact N-O 3.14Å; F217-L579 HydrophobicContact CE1-CD2 4.22Å; F217-L579 HydrophobicContact CE1-CG 4.1Å
218	A	94.4	Very high	92.9	Very high	57 Å²	57	66.9 Å²	66.9	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-74.8	-30	-179.2	0	0	0	0	0	112.5	D216 K222	D216-A218 PolarHBondContact O-N 2.6Å; D216-A218 WeakPolarHBondContact OD1-CA 3.49Å; D216-A218 WeakPolarHBondContact OD1-CB 3.47Å; D216-A218 PolarHBondContact OD1-N 2.87Å; A218-K222 WeakPolarHBondContact O-CG 3.41Å
219	R	94.2	Very high	93.1	Very high	124 Å²	124	68.6 Å²	68.6	47%	0.468	37%	0.366	S	S	.	.	H	α-helix	trans	-71.3	-49.9	170.1	-74.3	171	66.8	-161.7	-4.9	109.3	E213 D216 A221 K222	E213-R219 IonicContact OE1-NH1 3.66Å; E213-R219 IonicContact OE1-NH2 3.56Å; E213-R219 PolarHBondContact OE1-NH2 3.17Å; D216-R219 PolarHBondContact O-N 3.46Å; D216-R219 WeakPolarHBondContact OD1-CB 3.28Å; D216-R219 WeakPolarHBondContact OD1-CG 3.24Å; D216-R219 PolarHBondContact OD1-N 2.71Å; D216-R219 WeakPolarHBondContact OD2-CD 3.23Å; D216-R219 WeakPolarHBondContact OD2-CG 3.39Å; R219-A221 VanDerWaalsContact C-N 3.33Å; R219-A221 PolarHBondContact O-N 3.35Å; R219-K222 PolarHBondContact O-N 2.97Å; R219-K222 VanDerWaalsContact O-N 3.11Å
220	L	95	Very high	93.2	Very high	2 Å²	2	76.2 Å²	76.2	1%	0.01	40%	0.403	C	S	.	.	H	α-helix	trans	-59.8	-40	-179.8	-66.6	177.5	0	0	0	112.7	L215 D216 F217 K222 L223 T301 N548 I552 L579	L215-L220 HydrophobicContact CB-CD1 4.32Å; D216-L220 WeakPolarHBondContact O-CG 3.39Å; D216-L220 PolarHBondContact O-N 2.79Å; F217-L220 HydrophobicContact CD1-CD1 4.28Å; L220-K222 PolarHBondContact O-N 2.61Å; L220-K222 VanDerWaalsContact O-N 3.12Å; L220-L223 HydrophobicContact CD2-CD1 3.72Å; L220-L223 WeakPolarHBondContact O-CB 3.21Å; L220-L223 PolarHBondContact O-N 2.87Å; L220-L223 VanDerWaalsContact O-N 3.16Å; L220-T301 HydrophobicContact CB-CG2 3.94Å; L220-N548 PolarHBondContact O-ND2 3.42Å; L220-I552 HydrophobicContact CB-CD1 4.3Å; L220-I552 HydrophobicContact CB-CG1 4.12Å; L220-I552 HydrophobicContact CD2-CG2 4.33Å; L220-I552 WeakPolarHBondContact O-CG1 3.36Å; L220-L579 HydrophobicContact CD1-CD1 3.98Å; L220-L579 HydrophobicContact CD1-CG 4.48Å
221	A	93.9	Very high	93.4	Very high	57 Å²	57	73.5 Å²	73.5	47%	0.471	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.2	178.5	0	0	0	0	0	114.7	F217 R219 N548	F217-A221 VanDerWaalsContact O-CB 3.26Å; F217-A221 WeakPolarHBondContact O-CB 3.27Å; F217-A221 PolarHBondContact O-N 2.87Å; R219-A221 VanDerWaalsContact C-N 3.33Å; R219-A221 PolarHBondContact O-N 3.35Å; A221-N548 PolarHBondContact O-ND2 2.82Å
222	K	94.7	Very high	93.5	Very high	174 Å²	174	74.1 Å²	74.1	76%	0.757	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-8.6	178.2	-66	174.7	-173.9	174.7	0	113.4	A218 R219 L220	A218-K222 WeakPolarHBondContact O-CG 3.41Å; R219-K222 PolarHBondContact O-N 2.97Å; R219-K222 VanDerWaalsContact O-N 3.11Å; L220-K222 PolarHBondContact O-N 2.61Å; L220-K222 VanDerWaalsContact O-N 3.12Å
223	L	95.5	Very high	93.6	Very high	53 Å²	53	73.9 Å²	73.9	28%	0.277	39%	0.39	S	S	.	.			trans	-69.7	149.9	178.7	-60.1	176.4	0	0	0	110	L220 N548 I552 C555	L220-L223 HydrophobicContact CD2-CD1 3.72Å; L220-L223 WeakPolarHBondContact O-CB 3.21Å; L220-L223 PolarHBondContact O-N 2.87Å; L220-L223 VanDerWaalsContact O-N 3.16Å; L223-N548 WeakPolarHBondContact O-CA 3.34Å; L223-N548 PolarHBondContact O-ND2 3.34Å; L223-I552 HydrophobicContact CD1-CG1 4.27Å; L223-C555 HydrophobicContact CD1-CB 3.54Å
224	A	94.4	Very high	93.6	Very high	65 Å²	65	76.7 Å²	76.7	54%	0.537	40%	0.401	S	S	.	.			trans	-153.9	137	172.5	0	0	0	0	0	109.3	D547	A224-D547 CarbonylContact C-O 3.44Å; A224-D547 VanDerWaalsContact CA-O 3.31Å; A224-D547 WeakPolarHBondContact CA-O 3.31Å; A224-D547 HydrophobicContact CB-CB 4.4Å
225	L	94.8	Very high	93.6	Very high	39 Å²	39	73.6 Å²	73.6	20%	0.204	39%	0.388	C	S	.	.			trans	-124.3	91.5	168.2	-176	69.4	0	0	0	108	V228 L423 D547 W550 R554	L225-V228 HydrophobicContact CD2-CG2 3.85Å; L225-V228 HydrophobicContact CG-CG2 4.05Å; L225-L423 HydrophobicContact CD2-CB 4.48Å; L225-D547 PolarHBondContact N-O 2.83Å; L225-W550 HydrophobicContact CB-CB 4.03Å; L225-W550 HydrophobicContact CD2-CB 4.33Å; L225-R554 HydrophobicContact CD2-CB 3.98Å; L225-R554 HydrophobicContact CD2-CG 4.11Å
226	P	92.8	Very high	93.8	Very high	70 Å²	70	75 Å²	75	46%	0.455	40%	0.396	S	S	.	.			trans	-75.2	162.5	177.4	31.8	-34.8	0	0	0	111.4	V228	P226-V228 PolarHBondContact O-N 3.26Å
227	N	88.7	Confident	93.8	Very high	151 Å²	151	72.3 Å²	72.3	81%	0.807	38%	0.381	S	S	*	.			trans	65.3	29.8	172.4	-47.3	-51.2	0	0	0	115.6	K229	N227-K229 PolarHBondContact O-N 2.91Å
228	V	92.2	Very high	93.8	Very high	35 Å²	35	71.6 Å²	71.6	21%	0.212	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-62.4	124.4	166.2	-178.6	0	0	0	0	108.4	L225 P226 L423 W550	L225-V228 HydrophobicContact CD2-CG2 3.85Å; L225-V228 HydrophobicContact CG-CG2 4.05Å; P226-V228 PolarHBondContact O-N 3.26Å; V228-L423 HydrophobicContact CG1-CD2 4.4Å; V228-W550 HydrophobicContact CB-CD2 4.48Å; V228-W550 HydrophobicContact CB-CG 4.37Å; V228-W550 HydrophobicContact CG1-CD2 4.2Å; V228-W550 HydrophobicContact CG1-CZ2 4.17Å; V228-W550 HydrophobicContact CG2-CB 3.96Å; V228-W550 HydrophobicContact CG2-CD2 4.05Å; V228-W550 HydrophobicContact CG2-CG 3.7Å
229	K	91.7	Very high	93.7	Very high	133 Å²	133	73.5 Å²	73.5	58%	0.578	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-70.7	163.2	-177.1	-63.6	173.2	-169	149.1	0	111	N227 D422	N227-K229 PolarHBondContact O-N 2.91Å; K229-D422 IonicContact NZ-OD2 3.45Å; K229-D422 PolarHBondContact NZ-OD2 2.82Å
230	E	91.5	Very high	93.7	Very high	180 Å²	180	67.6 Å²	67.6	84%	0.841	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-59.2	138.1	166.9	-67.3	-174.2	171.1	0	0	110.1
231	P	94.7	Very high	93.7	Very high	26 Å²	26	68.2 Å²	68.2	17%	0.169	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-73.3	159.3	-177.8	31.4	-37.5	0	0	0	112.2	R419 I420 F421	P231-R419 HydrophobicContact CB-CB 4.11Å; P231-R419 VanDerWaalsContact CG-NH2 3.34Å; P231-I420 CarbonylContact C-O 3.6Å; P231-I420 WeakPolarHBondContact CA-O 3.4Å; P231-I420 VanDerWaalsContact CB-O 3.28Å; P231-I420 WeakPolarHBondContact CB-O 3.36Å; P231-F421 HydrophobicContact CB-CD1 3.68Å; P231-F421 HydrophobicContact CB-CD2 4.11Å; P231-F421 HydrophobicContact CB-CE1 3.47Å; P231-F421 VanDerWaalsContact CB-CE1 3.47Å; P231-F421 HydrophobicContact CB-CE2 3.92Å; P231-F421 HydrophobicContact CB-CG 4Å; P231-F421 HydrophobicContact CB-CZ 3.6Å; P231-F421 HydrophobicContact CG-CD1 4.19Å; P231-F421 HydrophobicContact CG-CE1 3.53Å; P231-F421 HydrophobicContact CG-CE2 4.41Å; P231-F421 HydrophobicContact CG-CZ 3.66Å
232	I	95.3	Very high	93.8	Very high	115 Å²	115	67.9 Å²	67.9	59%	0.59	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.4	175.1	-59.3	166.1	0	0	0	108.2	K234 R419 I420	I232-K234 PolarHBondContact O-N 2.86Å; I232-R419 WeakPolarHBondContact O-CA 3.31Å; I232-I420 HydrophobicContact CB-CB 4.49Å; I232-I420 PolarHBondContact N-O 2.79Å; I232-I420 PolarHBondContact O-N 3.22Å
233	D	94.1	Very high	93.8	Very high	60 Å²	60	59.6 Å²	59.6	32%	0.321	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.6	173.1	-67.4	-0.7	0	0	0	109.2	R417 R419	D233-R417 IonicContact OD1-NH2 3.45Å; D233-R417 IonicContact OD2-CZ 2.8Å; D233-R417 IonicContact OD2-NE 2.87Å; D233-R417 IonicContact OD2-NH2 3.92Å; D233-R417 PolarHBondContact OD2-NH2 3.19Å; D233-R419 WeakPolarHBondContact OD1-CG 3.45Å; D233-R419 IonicContact OD1-CZ 3.67Å; D233-R419 IonicContact OD1-NE 3.6Å; D233-R419 PolarHBondContact OD1-NE 3.48Å; D233-R419 IonicContact OD1-NH2 3.29Å; D233-R419 PolarHBondContact OD1-NH2 2.69Å
234	K	93.6	Very high	93.8	Very high	113 Å²	113	58.6 Å²	58.6	49%	0.491	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-46.3	-177.1	-173.7	61.9	174.9	-179.3	0	112.2	I232 L279 V284 Y418 I420	I232-K234 PolarHBondContact O-N 2.86Å; K234-L279 HydrophobicContact CG-CD2 3.65Å; K234-V284 HydrophobicContact CG-CG1 4.44Å; K234-Y418 PolarHBondContact N-O 3.46Å; K234-I420 HydrophobicContact CB-CD1 3.95Å; K234-I420 HydrophobicContact CB-CG1 4.2Å; K234-I420 HydrophobicContact CD-CD1 4.18Å; K234-I420 HydrophobicContact CG-CD1 4.18Å
235	V	94.7	Very high	93.7	Very high	14 Å²	14	59.6 Å²	59.6	9%	0.085	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	135.4	-179.7	-167.6	0	0	0	0	108	C237 V275 L279 E381 Y418	V235-C237 WeakPolarHBondContact CG1-SG 3.48Å; V235-V275 HydrophobicContact CB-CG1 4.3Å; V235-V275 HydrophobicContact CG1-CG1 4.27Å; V235-V275 HydrophobicContact CG2-CG1 4.26Å; V235-L279 HydrophobicContact CG2-CD1 4.38Å; V235-L279 HydrophobicContact CG2-CD2 4.04Å; V235-E381 HydrophobicContact CG1-CG 4.39Å; V235-E381 WeakPolarHBondContact CG1-OE2 3.16Å; V235-Y418 HydrophobicContact CB-CD2 3.89Å; V235-Y418 HydrophobicContact CB-CG 4.34Å; V235-Y418 HydrophobicContact CG1-CD2 4.36Å; V235-Y418 PolarHBondContact O-N 3.31Å
236	N	95.7	Very high	93.7	Very high	36 Å²	36	58.7 Å²	58.7	19%	0.193	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.1	171.4	-60.9	-37.1	0	0	0	108	F379 E381 Y416 R417	N236-F379 HydrophobicContact CB-CB 4.11Å; N236-F379 HydrophobicContact CB-CD1 3.47Å; N236-F379 VanDerWaalsContact CB-CD1 3.47Å; N236-F379 HydrophobicContact CB-CD2 4.23Å; N236-F379 HydrophobicContact CB-CE1 3.79Å; N236-F379 HydrophobicContact CB-CE2 4.47Å; N236-F379 HydrophobicContact CB-CG 3.71Å; N236-F379 HydrophobicContact CB-CZ 4.28Å; N236-E381 PolarHBondContact O-N 3.02Å; N236-Y416 CarbonylContact C-O 3.53Å; N236-Y416 WeakPolarHBondContact CA-O 3.37Å; N236-R417 WeakPolarHBondContact OD1-CG 3.39Å
237	C	94.4	Very high	93.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.1	-171.6	-47.8	0	0	0	0	111	V235 F379 E381 E382 P384 Y416 Y418	V235-C237 WeakPolarHBondContact CG1-SG 3.48Å; C237-F379 WeakPolarHBondContact O-CD2 3.23Å; C237-E381 CarbonylContact C-O 3.56Å; C237-E381 VanDerWaalsContact CA-O 3.25Å; C237-E381 WeakPolarHBondContact CA-O 3.28Å; C237-E381 HydrophobicContact CB-CB 4.24Å; C237-E381 PolarHBondContact SG-OE2 3.14Å; C237-E382 WeakPolarHBondContact CB-O 3.43Å; C237-P384 HydrophobicContact CB-CG 4.45Å; C237-Y416 PolarHBondContact N-O 3.46Å; C237-Y416 PolarHBondContact O-N 2.86Å; C237-Y418 HydrophobicContact CB-CE2 4.49Å
238	G	93.2	Very high	94.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.2	-177.9	172.9	0	0	0	0	0	114.6	F379 E381 E382	G238-F379 WeakPolarHBondContact O-CB 3.44Å; G238-F379 PolarHBondContact O-N 3.29Å; G238-E381 PolarHBondContact N-O 3.4Å; G238-E382 PolarHBondContact N-O 3.39Å
239	E	93	Very high	94.2	Very high	96 Å²	96	59.5 Å²	59.5	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.7	-172.7	-54.9	-163	140.5	0	0	110.6	S378 V414	E239-S378 VanDerWaalsContact CD-OG 3.25Å; E239-S378 WeakPolarHBondContact OE1-CB 3.37Å; E239-S378 PolarHBondContact OE1-OG 3.47Å; E239-V414 PolarHBondContact N-O 3.22Å; E239-V414 CarbonylContact O-C 3.59Å; E239-V414 PolarHBondContact O-N 2.55Å; E239-V414 VanDerWaalsContact O-N 3.13Å; E239-V414 VanDerWaalsContact O-O 3.11Å
240	M	94.5	Very high	94.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.9	-177.1	-71.3	170.2	-71.4	0	0	111.7	T376 Y377 F379 S413 V435 V438 F452	M240-T376 CarbonylContact O-C 2.95Å; M240-T376 WeakPolarHBondContact O-CA 3.48Å; M240-Y377 HydrophobicContact CE-CD1 3.83Å; M240-Y377 HydrophobicContact CE-CE1 4.36Å; M240-Y377 PolarHBondContact N-O 3.29Å; M240-Y377 PolarHBondContact O-N 3.47Å; M240-F379 HydrophobicContact CE-CD2 3.74Å; M240-F379 HydrophobicContact CE-CE1 4.34Å; M240-F379 HydrophobicContact CE-CE2 3.18Å; M240-F379 HydrophobicContact CE-CZ 3.54Å; M240-F379 HydrophobicContact SD-CE2 4.27Å; M240-S413 WeakPolarHBondContact CA-OG 3.47Å; M240-V435 HydrophobicContact CE-CG2 4.14Å; M240-V435 HydrophobicContact SD-CB 3.95Å; M240-V435 HydrophobicContact SD-CG2 3.3Å; M240-V435 WeakPolarHBondContact SD-CG2 3.25Å; M240-V438 HydrophobicContact CB-CG2 4Å; M240-V438 HydrophobicContact CE-CG2 3.83Å; M240-V438 HydrophobicContact SD-CG2 4Å; M240-F452 HydrophobicContact CE-CD1 3.98Å; M240-F452 HydrophobicContact CE-CE1 3.65Å; M240-F452 HydrophobicContact SD-CD1 4.13Å; M240-F452 HydrophobicContact SD-CE1 4.41Å
241	E	94.9	Very high	94.5	Very high	15 Å²	15	46.2 Å²	46.2	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	155.9	170.3	-70.1	177.2	157.5	0	0	111.4	R263 L370 M372 G373 T376 S413 G437 V438	E241-R263 VanDerWaalsContact CD-NH1 3.28Å; E241-R263 IonicContact OE1-CZ 3.46Å; E241-R263 IonicContact OE1-NH1 2.71Å; E241-R263 PolarHBondContact OE1-NH1 3.18Å; E241-R263 IonicContact OE1-NH2 3.35Å; E241-R263 PolarHBondContact OE1-NH2 2.97Å; E241-R263 IonicContact OE2-CZ 3.35Å; E241-R263 IonicContact OE2-NH1 3.78Å; E241-R263 PolarHBondContact OE2-NH1 2.85Å; E241-R263 IonicContact OE2-NH2 2.72Å; E241-L370 HydrophobicContact CB-CB 3.85Å; E241-L370 HydrophobicContact CB-CD1 4.17Å; E241-L370 HydrophobicContact CB-CG 4.49Å; E241-M372 WeakPolarHBondContact OE1-CA 3.42Å; E241-G373 PolarHBondContact OE1-N 2.77Å; E241-T376 HydrophobicContact CG-CG2 3.84Å; E241-S413 PolarHBondContact N-OG 3.47Å; E241-G437 WeakPolarHBondContact O-CA 3.43Å; E241-V438 PolarHBondContact O-N 3.4Å; E241-V438 VanDerWaalsContact O-N 3.14Å
242	Y	95.2	Very high	94.4	Very high	50 Å²	50	46.2 Å²	46.2	20%	0.196	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-74.4	140	173.8	-71.8	-77.2	0	0	0	111.4	D244 L371 K375 V438 Q440	Y242-D244 PolarHBondContact O-N 2.9Å; Y242-L371 PolarHBondContact O-N 2.97Å; Y242-K375 HydrophobicContact CD2-CB 4.26Å; Y242-K375 WeakPolarHBondContact CD2-O 3.19Å; Y242-K375 HydrophobicContact CE2-CB 4.01Å; Y242-V438 CarbonylContact C-O 3.18Å; Y242-V438 VanDerWaalsContact CA-O 3.24Å; Y242-V438 WeakPolarHBondContact CA-O 3.37Å; Y242-V438 HydrophobicContact CD1-CB 4.15Å; Y242-V438 HydrophobicContact CD1-CG1 4.25Å; Y242-V438 HydrophobicContact CE1-CB 4.24Å; Y242-V438 HydrophobicContact CE1-CG1 3.97Å; Y242-Q440 HydrophobicContact CD1-CB 4.47Å; Y242-Q440 HydrophobicContact CD1-CG 3.93Å; Y242-Q440 HydrophobicContact CG-CG 3.97Å
243	Y	95.3	Very high	94.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-62	131.2	174	177.7	-107	0	0	0	112.2	K245 D248 M369 V438 L439 I455 K510	Y243-K245 HydrophobicContact CD1-CG 4.17Å; Y243-K245 HydrophobicContact CE1-CG 4.43Å; Y243-K245 PolarHBondContact O-N 3.4Å; Y243-D248 WeakPolarHBondContact CE1-OD1 3.37Å; Y243-D248 PolarHBondContact OH-OD1 2.91Å; Y243-M369 WeakPolarHBondContact CD2-O 3.32Å; Y243-M369 HydrophobicContact CE2-CB 4.16Å; Y243-M369 HydrophobicContact CE2-CE 3.54Å; Y243-V438 PolarHBondContact N-O 3.2Å; Y243-L439 HydrophobicContact CD1-CD2 3.83Å; Y243-L439 HydrophobicContact CG-CD2 4.21Å; Y243-I455 HydrophobicContact CD2-CD1 4.05Å; Y243-I455 HydrophobicContact CE2-CD1 4.45Å; Y243-K510 HydrophobicContact CD1-CD 4.28Å; Y243-K510 HydrophobicContact CD2-CD 4.01Å; Y243-K510 HydrophobicContact CE1-CD 3.76Å; Y243-K510 HydrophobicContact CE2-CD 3.48Å; Y243-K510 VanDerWaalsContact CE2-CD 3.48Å; Y243-K510 HydrophobicContact CG-CD 4.38Å; Y243-K510 VanDerWaalsContact CZ-CE 3.41Å
244	D	94.7	Very high	94.3	Very high	32 Å²	32	52.4 Å²	52.4	17%	0.171	24%	0.237	C	C	.	.			trans	-81.2	101.8	173.4	179.2	15.5	0	0	0	111	Y242 S246 Y247 R256 M369 L371	Y242-D244 PolarHBondContact O-N 2.9Å; D244-S246 PolarHBondContact O-N 3.39Å; D244-S246 WeakPolarHBondContact OD1-CB 3.1Å; D244-S246 PolarHBondContact OD1-N 2.75Å; D244-S246 PolarHBondContact OD1-OG 3.24Å; D244-S246 WeakPolarHBondContact OD2-CB 3.4Å; D244-S246 PolarHBondContact OD2-OG 3.32Å; D244-Y247 HydrophobicContact CB-CD2 3.84Å; D244-Y247 HydrophobicContact CB-CE2 4.12Å; D244-Y247 PolarHBondContact O-N 3.01Å; D244-Y247 VanDerWaalsContact O-N 3.11Å; D244-Y247 WeakPolarHBondContact OD2-CD2 3.4Å; D244-Y247 WeakPolarHBondContact OD2-CE2 3.38Å; D244-R256 IonicContact OD2-NH1 3.94Å; D244-M369 PolarHBondContact N-O 2.69Å; D244-L371 HydrophobicContact CB-CD2 3.65Å; D244-L371 HydrophobicContact CB-CG 3.87Å
245	K	93.5	Very high	94.4	Very high	87 Å²	87	51.1 Å²	51.1	38%	0.378	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-58.6	-13.7	175.4	-66.2	-179.4	-177.4	170.1	0	113.2	Y243 Y247 D248 Q440	Y243-K245 HydrophobicContact CD1-CG 4.17Å; Y243-K245 HydrophobicContact CE1-CG 4.43Å; Y243-K245 PolarHBondContact O-N 3.4Å; K245-Y247 PolarHBondContact O-N 2.69Å; K245-D248 WeakPolarHBondContact O-CB 3.35Å; K245-D248 PolarHBondContact O-N 3.16Å; K245-Q440 PolarHBondContact NZ-O 2.86Å
246	S	93.9	Very high	94.5	Very high	20 Å²	20	54.5 Å²	54.5	14%	0.14	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.7	-27.3	175	94.2	0	0	0	0	112.9	D244 D248 R249 R256	D244-S246 PolarHBondContact O-N 3.39Å; D244-S246 WeakPolarHBondContact OD1-CB 3.1Å; D244-S246 PolarHBondContact OD1-N 2.75Å; D244-S246 PolarHBondContact OD1-OG 3.24Å; D244-S246 WeakPolarHBondContact OD2-CB 3.4Å; D244-S246 PolarHBondContact OD2-OG 3.32Å; S246-D248 VanDerWaalsContact C-N 3.29Å; S246-D248 PolarHBondContact O-N 3.12Å; S246-R249 PolarHBondContact O-N 3.46Å; S246-R256 PolarHBondContact OG-NH1 3.34Å; S246-R256 PolarHBondContact OG-NH2 2.56Å
247	Y	95.5	Very high	94.5	Very high	19 Å²	19	56.8 Å²	56.8	8%	0.075	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-71.1	-19.6	176.9	-77	-86.2	0	0	0	114	D244 K245 R249 V250 Q368 M369 I527 T530	D244-Y247 HydrophobicContact CB-CD2 3.84Å; D244-Y247 HydrophobicContact CB-CE2 4.12Å; D244-Y247 PolarHBondContact O-N 3.01Å; D244-Y247 VanDerWaalsContact O-N 3.11Å; D244-Y247 WeakPolarHBondContact OD2-CD2 3.4Å; D244-Y247 WeakPolarHBondContact OD2-CE2 3.38Å; K245-Y247 PolarHBondContact O-N 2.69Å; Y247-R249 PolarHBondContact O-N 3.47Å; Y247-V250 HydrophobicContact CD1-CG2 4.2Å; Y247-V250 PolarHBondContact O-N 3.2Å; Y247-Q368 HydrophobicContact CE1-CG 4.47Å; Y247-Q368 VanDerWaalsContact CE2-O 3.24Å; Y247-Q368 WeakPolarHBondContact CE2-O 3.47Å; Y247-Q368 VanDerWaalsContact CZ-O 3.27Å; Y247-Q368 WeakPolarHBondContact OH-CG 3.34Å; Y247-Q368 PolarHBondContact OH-NE2 3.21Å; Y247-Q368 PolarHBondContact OH-O 3.32Å; Y247-M369 HydrophobicContact CD1-CG 4.1Å; Y247-M369 HydrophobicContact CD2-CB 4.47Å; Y247-M369 HydrophobicContact CD2-CG 4.41Å; Y247-M369 HydrophobicContact CE1-CG 4.41Å; Y247-M369 HydrophobicContact CG-CG 4.1Å; Y247-I527 HydrophobicContact CD1-CD1 4.41Å; Y247-I527 HydrophobicContact CE1-CD1 3.89Å; Y247-T530 PolarHBondContact O-OG1 3.18Å
248	D	94.3	Very high	94.6	Very high	66 Å²	66	57.9 Å²	57.9	35%	0.353	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-67.8	-16.1	174.3	-65.4	-21.3	0	0	0	112.1	Y243 K245 S246 K510 T530	Y243-D248 WeakPolarHBondContact CE1-OD1 3.37Å; Y243-D248 PolarHBondContact OH-OD1 2.91Å; K245-D248 WeakPolarHBondContact O-CB 3.35Å; K245-D248 PolarHBondContact O-N 3.16Å; S246-D248 VanDerWaalsContact C-N 3.29Å; S246-D248 PolarHBondContact O-N 3.12Å; D248-K510 IonicContact OD1-NZ 3.57Å; D248-K510 PolarHBondContact OD1-NZ 2.88Å; D248-K510 IonicContact OD2-NZ 3.6Å; D248-K510 PolarHBondContact OD2-NZ 2.93Å; D248-T530 WeakPolarHBondContact CA-OG1 3.35Å
249	R	94.6	Very high	94.7	Very high	187 Å²	187	61.7 Å²	61.7	71%	0.706	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-96.5	0.8	178.9	-61.5	-174.4	-67.6	-166	-2.6	113.8	S246 Y247 N254	S246-R249 PolarHBondContact O-N 3.46Å; Y247-R249 PolarHBondContact O-N 3.47Å; R249-N254 PolarHBondContact O-ND2 2.79Å
250	V	94.9	Very high	94.6	Very high	8 Å²	8	61.7 Å²	61.7	5%	0.048	29%	0.285	C	S	.	.			trans	-72.9	133.1	176.6	179.1	0	0	0	0	109.3	Y247 R256 I527 G529	Y247-V250 HydrophobicContact CD1-CG2 4.2Å; Y247-V250 PolarHBondContact O-N 3.2Å; V250-R256 HydrophobicContact CG2-CG 4.1Å; V250-I527 HydrophobicContact CG1-CG2 4.22Å; V250-I527 VanDerWaalsContact CG1-O 3.29Å; V250-I527 WeakPolarHBondContact CG1-O 3.21Å; V250-G529 WeakPolarHBondContact O-CA 3.13Å
251	S	94	Very high	94.4	Very high	26 Å²	26	62.5 Å²	62.5	18%	0.182	29%	0.29	C	S	.	.			trans	-139.9	172.5	178.1	74.7	0	0	0	0	109.4	R253 N254 E255 L528	S251-R253 PolarHBondContact O-N 3.18Å; S251-R253 PolarHBondContact OG-N 2.85Å; S251-N254 WeakPolarHBondContact CA-OD1 3.42Å; S251-N254 VanDerWaalsContact CB-OD1 3.28Å; S251-N254 WeakPolarHBondContact CB-OD1 3.38Å; S251-N254 PolarHBondContact N-OD1 3.47Å; S251-N254 CarbonylContact O-C 3.24Å; S251-N254 VanDerWaalsContact O-C 3.24Å; S251-N254 PolarHBondContact O-N 3.16Å; S251-N254 PolarHBondContact O-OD1 2.66Å; S251-N254 PolarHBondContact OG-OD1 2.61Å; S251-E255 PolarHBondContact O-N 2.91Å; S251-L528 CarbonylContact C-O 3.57Å; S251-L528 WeakPolarHBondContact CA-O 3.4Å
252	T	93.1	Very high	94.1	Very high	27 Å²	27	67.4 Å²	67.4	17%	0.166	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.2	-178	67.8	0	0	0	0	113.3	R472 L475 D476 L528	T252-R472 PolarHBondContact OG1-O 2.93Å; T252-L475 HydrophobicContact CG2-CB 3.81Å; T252-L475 HydrophobicContact CG2-CD2 4.35Å; T252-D476 PolarHBondContact OG1-OD2 3.08Å; T252-L528 HydrophobicContact CG2-CB 4.29Å; T252-L528 PolarHBondContact N-O 2.89Å
253	R	92.9	Very high	93.8	Very high	226 Å²	226	66.7 Å²	66.7	85%	0.853	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-21.2	176.1	-59.1	-176.9	-177.9	-166	-1.5	114	S251	S251-R253 PolarHBondContact O-N 3.18Å; S251-R253 PolarHBondContact OG-N 2.85Å
254	N	95.3	Very high	93.4	Very high	79 Å²	79	69 Å²	69	42%	0.422	33%	0.328	S	S	.	.	S	Bend	trans	-131.2	54	178.6	65.8	-29.5	0	0	0	109.1	R249 S251	R249-N254 PolarHBondContact O-ND2 2.79Å; S251-N254 WeakPolarHBondContact CA-OD1 3.42Å; S251-N254 VanDerWaalsContact CB-OD1 3.28Å; S251-N254 WeakPolarHBondContact CB-OD1 3.38Å; S251-N254 PolarHBondContact N-OD1 3.47Å; S251-N254 CarbonylContact O-C 3.24Å; S251-N254 VanDerWaalsContact O-C 3.24Å; S251-N254 PolarHBondContact O-N 3.16Å; S251-N254 PolarHBondContact O-OD1 2.66Å; S251-N254 PolarHBondContact OG-OD1 2.61Å
255	E	95.1	Very high	93.1	Very high	86 Å²	86	70 Å²	70	40%	0.402	33%	0.333	S	S	.	.			trans	-60.9	150.8	176.7	62.7	-177.9	-161.4	0	0	111	S251 V526 I527 L528	S251-E255 PolarHBondContact O-N 2.91Å; E255-V526 HydrophobicContact CB-CB 4.44Å; E255-I527 WeakPolarHBondContact CA-O 3.42Å; E255-I527 WeakPolarHBondContact CB-O 3.33Å; E255-L528 HydrophobicContact CB-CD2 4.22Å; E255-L528 VanDerWaalsContact OE2-CD2 3.28Å; E255-L528 WeakPolarHBondContact OE2-CD2 3.47Å
256	R	96.2	Very high	92.9	Very high	85 Å²	85	67.8 Å²	67.8	32%	0.321	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.4	173.7	-73.6	-170.9	174	179.4	2.1	109.6	D244 S246 V250 V526 I527	D244-R256 IonicContact OD2-NH1 3.94Å; S246-R256 PolarHBondContact OG-NH1 3.34Å; S246-R256 PolarHBondContact OG-NH2 2.56Å; V250-R256 HydrophobicContact CG2-CG 4.1Å; R256-V526 CarbonylContact O-C 3.16Å; R256-V526 WeakPolarHBondContact O-CA 3.37Å; R256-I527 PolarHBondContact N-O 3.11Å; R256-I527 VanDerWaalsContact N-O 3.17Å; R256-I527 PolarHBondContact O-N 2.98Å
257	P	96.9	Very high	92.7	Very high	84 Å²	84	70.7 Å²	70.7	55%	0.545	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	139.7	173.2	27.8	-33.6	0	0	0	110.1	V259 Q368	P257-V259 PolarHBondContact O-N 2.85Å; P257-Q368 PolarHBondContact O-NE2 3.47Å
258	L	96.6	Very high	92.5	Very high	23 Å²	23	71.1 Å²	71.1	12%	0.12	35%	0.346	C	S	.	.			trans	-72.5	125.1	165.5	-170.9	77.8	0	0	0	107.4	I361 N364 L365 V514 H525 I527	L258-I361 HydrophobicContact CD2-CB 4.34Å; L258-I361 HydrophobicContact CD2-CG1 4.07Å; L258-I361 HydrophobicContact CD2-CG2 4.24Å; L258-N364 HydrophobicContact CD1-CB 4.39Å; L258-N364 HydrophobicContact CD2-CB 4.37Å; L258-N364 HydrophobicContact CG-CB 4.39Å; L258-L365 HydrophobicContact CD1-CB 4.06Å; L258-L365 HydrophobicContact CD1-CD1 3.94Å; L258-V514 HydrophobicContact CD2-CG1 4.32Å; L258-H525 HydrophobicContact CB-CB 3.9Å; L258-H525 HydrophobicContact CD2-CB 3.94Å; L258-H525 PolarHBondContact N-O 3.24Å; L258-I527 HydrophobicContact CD1-CD1 4.25Å; L258-I527 HydrophobicContact CD1-CG1 4.21Å
259	V	94.1	Very high	92.5	Very high	79 Å²	79	68.4 Å²	68.4	48%	0.479	33%	0.331	S	S	.	.			trans	-105.2	137.1	-179.8	-179	0	0	0	0	107.6	P257 V261 Q368	P257-V259 PolarHBondContact O-N 2.85Å; V259-V261 PolarHBondContact O-N 3.04Å; V259-Q368 PolarHBondContact O-OE1 3.44Å
260	R	92.2	Very high	92.5	Very high	96 Å²	96	59.5 Å²	59.5	36%	0.362	30%	0.298	S	S	.	.			trans	-68.4	124.5	172.5	178.7	178.2	167.3	140.8	14.3	109.4	N262 F360 Q609 N610	R260-N262 PolarHBondContact NE-OD1 3.19Å; R260-F360 HydrophobicContact CB-CZ 4.4Å; R260-F360 HydrophobicContact CG-CE2 4.33Å; R260-F360 HydrophobicContact CG-CZ 4.27Å; R260-Q609 PolarHBondContact NH1-O 2.75Å; R260-N610 PolarHBondContact NH1-OD1 3.38Å; R260-N610 PolarHBondContact NH2-OD1 3.44Å
261	V	89.5	Confident	92.3	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.109	31%	0.306	C	S	.	.			trans	-110.2	112.5	178.6	-177.7	0	0	0	0	108	V259 R263 N364 Q367 Q368 M372	V259-V261 PolarHBondContact O-N 3.04Å; V261-R263 HydrophobicContact CG1-CB 4.34Å; V261-R263 HydrophobicContact CG1-CG 3.86Å; V261-R263 PolarHBondContact O-N 2.87Å; V261-N364 PolarHBondContact N-OD1 2.88Å; V261-Q367 HydrophobicContact CB-CB 4.13Å; V261-Q367 HydrophobicContact CG1-CB 3.8Å; V261-Q367 HydrophobicContact CG1-CG 4.47Å; V261-Q367 HydrophobicContact CG2-CB 4.31Å; V261-Q368 HydrophobicContact CG2-CB 4.14Å; V261-M372 HydrophobicContact CG1-SD 3.98Å; V261-M372 HydrophobicContact CG2-SD 4.2Å
262	N	88.6	Confident	92.2	Very high	118 Å²	118	66.8 Å²	66.8	63%	0.631	33%	0.325	S	S	*	.			trans	-82.2	83.4	178.5	-68.4	-18.2	0	0	0	109.3	R260	R260-N262 PolarHBondContact NE-OD1 3.19Å
263	R	88.3	Confident	92.3	Very high	35 Å²	35	65.5 Å²	65.5	13%	0.132	32%	0.317	C	S	.	.			trans	-132.9	145.6	173.4	-74.1	-176.5	178.7	-179.5	-10.2	110.8	E241 V261 E410	E241-R263 VanDerWaalsContact CD-NH1 3.28Å; E241-R263 IonicContact OE1-CZ 3.46Å; E241-R263 IonicContact OE1-NH1 2.71Å; E241-R263 PolarHBondContact OE1-NH1 3.18Å; E241-R263 IonicContact OE1-NH2 3.35Å; E241-R263 PolarHBondContact OE1-NH2 2.97Å; E241-R263 IonicContact OE2-CZ 3.35Å; E241-R263 IonicContact OE2-NH1 3.78Å; E241-R263 PolarHBondContact OE2-NH1 2.85Å; E241-R263 IonicContact OE2-NH2 2.72Å; V261-R263 HydrophobicContact CG1-CB 4.34Å; V261-R263 HydrophobicContact CG1-CG 3.86Å; V261-R263 PolarHBondContact O-N 2.87Å; R263-E410 CarbonylContact C-O 3.59Å; R263-E410 WeakPolarHBondContact CA-O 3.27Å; R263-E410 WeakPolarHBondContact CB-O 3.37Å; R263-E410 HydrophobicContact CG-CB 4.15Å
264	V	87.9	Confident	92.4	Very high	48 Å²	48	57.8 Å²	57.8	29%	0.291	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-84.3	122.8	179.9	-177.2	0	0	0	0	109.8	E409 E410 G412	V264-E409 HydrophobicContact CG2-CB 4.1Å; V264-E410 PolarHBondContact N-O 3.2Å; V264-G412 PolarHBondContact O-N 3.36Å
265	L	88.3	Confident	92.4	Very high	52 Å²	52	54.4 Å²	54.4	27%	0.272	28%	0.279	S	S	.	.			trans	-115.6	115.1	172.4	-68.3	-179.4	0	0	0	109.2	T363 V414	L265-T363 HydrophobicContact CD1-CG2 3.61Å; L265-T363 HydrophobicContact CG-CG2 4.48Å; L265-V414 HydrophobicContact CD2-CG2 3.49Å; L265-V414 VanDerWaalsContact CD2-CG2 3.49Å
266	H	89.6	Confident	92.4	Very high	41 Å²	41	50.3 Å²	50.3	19%	0.19	26%	0.26	C	S	.	.			trans	-78.5	125.3	-178.1	-61.3	108.7	0	0	0	111.9	V268 F385	H266-V268 HydrophobicContact CB-CG2 3.87Å; H266-F385 HydrophobicContact CB-CB 4.11Å; H266-F385 HydrophobicContact CB-CD2 4.24Å; H266-F385 HydrophobicContact CB-CG 4.33Å; H266-F385 PolarHBondContact CE1-O 3.01Å; H266-F385 PolarHBondContact NE2-O 3.27Å
267	T	88.5	Confident	92.3	Very high	81 Å²	81	50.4 Å²	50.4	50%	0.497	26%	0.264	S	S	.	.			trans	-105.7	49	174.9	64.5	0	0	0	0	111.9	K322 D329	T267-K322 WeakPolarHBondContact O-CE 3.39Å; T267-K322 PolarHBondContact O-NZ 3.15Å; T267-D329 WeakPolarHBondContact CB-OD2 3.35Å; T267-D329 PolarHBondContact OG1-OD2 2.93Å
268	V	92.4	Very high	92.1	Very high	29 Å²	29	51.3 Å²	51.3	18%	0.176	26%	0.256	C	S	.	.			trans	-67.5	132.2	-174.2	-167.6	0	0	0	0	112.2	H266 R272 F385 R432	H266-V268 HydrophobicContact CB-CG2 3.87Å; V268-R272 HydrophobicContact CG1-CB 3.5Å; V268-F385 HydrophobicContact CB-CD1 4.22Å; V268-F385 HydrophobicContact CB-CE1 3.89Å; V268-F385 HydrophobicContact CB-CZ 4.2Å; V268-F385 HydrophobicContact CG1-CD1 4.34Å; V268-F385 HydrophobicContact CG1-CE1 3.95Å; V268-F385 HydrophobicContact CG2-CB 4.46Å; V268-F385 HydrophobicContact CG2-CD1 3.59Å; V268-F385 HydrophobicContact CG2-CD2 4.31Å; V268-F385 HydrophobicContact CG2-CE1 3.78Å; V268-F385 HydrophobicContact CG2-CE2 4.49Å; V268-F385 HydrophobicContact CG2-CG 3.86Å; V268-F385 HydrophobicContact CG2-CZ 4.25Å; V268-R432 PolarHBondContact O-NH1 3.27Å; V268-R432 PolarHBondContact O-NH2 3.24Å
269	T	93.2	Very high	92	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.049	25%	0.251	C	S	.	.			trans	-71.3	164.8	172.5	-163.8	0	0	0	0	112.4	S271 R272 D273 D321 K322	T269-S271 PolarHBondContact O-N 2.95Å; T269-R272 HydrophobicContact CG2-CB 4.1Å; T269-R272 HydrophobicContact CG2-CG 4.01Å; T269-R272 PolarHBondContact O-N 3.04Å; T269-D273 PolarHBondContact O-N 3.15Å; T269-D321 WeakPolarHBondContact CG2-OD1 3.34Å; T269-D321 WeakPolarHBondContact OG1-CA 3.4Å; T269-D321 WeakPolarHBondContact OG1-CB 3.46Å; T269-D321 PolarHBondContact OG1-OD1 2.73Å; T269-K322 PolarHBondContact OG1-N 3.01Å; T269-K322 VanDerWaalsContact OG1-N 3.16Å
270	T	94.5	Very high	92	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-56.1	-47.6	-176.3	-53.2	0	0	0	0	113.3	R272 D273 I276 C289 T290 F319 F320 D321	T270-R272 PolarHBondContact O-N 3.22Å; T270-D273 WeakPolarHBondContact O-CB 3.46Å; T270-D273 PolarHBondContact O-N 3.18Å; T270-I276 HydrophobicContact CG2-CD1 3.72Å; T270-I276 HydrophobicContact CG2-CG2 4.02Å; T270-C289 WeakPolarHBondContact OG1-CA 2.97Å; T270-T290 PolarHBondContact OG1-N 3.44Å; T270-F319 HydrophobicContact CG2-CD1 4.27Å; T270-F320 WeakPolarHBondContact CB-O 3.49Å; T270-F320 PolarHBondContact OG1-O 3Å; T270-D321 WeakPolarHBondContact CA-OD1 3.37Å; T270-D321 WeakPolarHBondContact CB-OD1 3.25Å; T270-D321 PolarHBondContact N-OD1 3.01Å; T270-D321 VanDerWaalsContact N-OD1 3.08Å
271	S	91.3	Very high	92	Very high	32 Å²	32	46.2 Å²	46.2	22%	0.224	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-75.8	-7	-176.8	-70.4	0	0	0	0	114.1	T269 H277 D321	T269-S271 PolarHBondContact O-N 2.95Å; S271-H277 PolarHBondContact O-NE2 3.14Å; S271-D321 WeakPolarHBondContact CB-OD1 3.23Å; S271-D321 VanDerWaalsContact CB-OD2 3.29Å; S271-D321 WeakPolarHBondContact CB-OD2 3.38Å; S271-D321 PolarHBondContact N-OD1 3.04Å; S271-D321 PolarHBondContact OG-OD1 3.08Å; S271-D321 PolarHBondContact OG-OD2 3.37Å
272	R	92.1	Very high	92.1	Very high	155 Å²	155	50.5 Å²	50.5	59%	0.585	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-100	-3.4	171.8	-75.5	-168.4	167.6	169.4	6.7	113.1	V268 T269 T270 P274 E324	V268-R272 HydrophobicContact CG1-CB 3.5Å; T269-R272 HydrophobicContact CG2-CB 4.1Å; T269-R272 HydrophobicContact CG2-CG 4.01Å; T269-R272 PolarHBondContact O-N 3.04Å; T270-R272 PolarHBondContact O-N 3.22Å; R272-P274 WeakPolarHBondContact O-CD 3.42Å; R272-E324 IonicContact CZ-OE1 4Å; R272-E324 IonicContact CZ-OE2 2.76Å; R272-E324 IonicContact NE-OE1 3.14Å; R272-E324 PolarHBondContact NE-OE1 3.1Å; R272-E324 IonicContact NE-OE2 2.63Å; R272-E324 IonicContact NH1-OE1 3.54Å; R272-E324 PolarHBondContact NH1-OE1 3.46Å; R272-E324 IonicContact NH1-OE2 3.37Å; R272-E324 PolarHBondContact NH1-OE2 3.07Å; R272-E324 IonicContact NH2-OE1 2.77Å; R272-E324 PolarHBondContact NH2-OE1 3.43Å; R272-E324 IonicContact NH2-OE2 3.1Å; R272-E324 PolarHBondContact NH2-OE2 3.39Å
273	D	94.5	Very high	92.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.			trans	-84.1	116.3	-175.3	-174.2	-43.6	0	0	0	111.4	T269 T270 V275 I276 H277 F385 Y418 R432	T269-D273 PolarHBondContact O-N 3.15Å; T270-D273 WeakPolarHBondContact O-CB 3.46Å; T270-D273 PolarHBondContact O-N 3.18Å; D273-V275 VanDerWaalsContact C-N 3.29Å; D273-V275 PolarHBondContact O-N 2.8Å; D273-V275 WeakPolarHBondContact OD1-CA 3.47Å; D273-V275 WeakPolarHBondContact OD1-CB 3.45Å; D273-V275 PolarHBondContact OD1-N 2.85Å; D273-I276 HydrophobicContact CB-CB 3.93Å; D273-I276 HydrophobicContact CB-CD1 3.91Å; D273-I276 HydrophobicContact CB-CG1 3.87Å; D273-I276 PolarHBondContact O-N 2.66Å; D273-I276 PolarHBondContact OD1-N 3.06Å; D273-H277 PolarHBondContact O-CD2 2.95Å; D273-H277 PolarHBondContact O-N 2.72Å; D273-F385 HydrophobicContact CB-CE1 4.33Å; D273-F385 HydrophobicContact CB-CZ 4.5Å; D273-F385 WeakPolarHBondContact OD2-CZ 3.41Å; D273-Y418 PolarHBondContact OD1-OH 3.38Å; D273-Y418 PolarHBondContact OD2-OH 2.9Å; D273-Y418 VanDerWaalsContact OD2-OH 3.08Å; D273-R432 WeakPolarHBondContact OD2-CD 3.41Å; D273-R432 IonicContact OD2-CZ 3.47Å; D273-R432 IonicContact OD2-NE 3.8Å; D273-R432 IonicContact OD2-NH1 3.82Å; D273-R432 PolarHBondContact OD2-NH1 2.88Å
274	P	94.9	Very high	92.3	Very high	65 Å²	65	47.9 Å²	47.9	42%	0.422	26%	0.258	S	S	.	.	H	α-helix	trans	-67.9	-29.4	-176	28.1	-34.1	0	0	0	112.3	R272 H277 R278 P384	R272-P274 WeakPolarHBondContact O-CD 3.42Å; P274-H277 PolarHBondContact O-N 2.86Å; P274-R278 PolarHBondContact O-N 2.97Å; P274-P384 HydrophobicContact CG-CB 4.12Å
275	V	94.9	Very high	92.4	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-72.3	-40.1	177.3	-179	0	0	0	0	109.9	V235 D273 H277 R278 L279 P384 Y418	V235-V275 HydrophobicContact CB-CG1 4.3Å; V235-V275 HydrophobicContact CG1-CG1 4.27Å; V235-V275 HydrophobicContact CG2-CG1 4.26Å; D273-V275 VanDerWaalsContact C-N 3.29Å; D273-V275 PolarHBondContact O-N 2.8Å; D273-V275 WeakPolarHBondContact OD1-CA 3.47Å; D273-V275 WeakPolarHBondContact OD1-CB 3.45Å; D273-V275 PolarHBondContact OD1-N 2.85Å; V275-H277 VanDerWaalsContact C-N 3.34Å; V275-R278 WeakPolarHBondContact O-CB 3.45Å; V275-R278 PolarHBondContact O-N 3.24Å; V275-L279 HydrophobicContact CG1-CD1 4.05Å; V275-L279 HydrophobicContact CG1-CG 4.35Å; V275-L279 WeakPolarHBondContact O-CB 3.29Å; V275-L279 VanDerWaalsContact O-CG 3.25Å; V275-L279 WeakPolarHBondContact O-CG 3.48Å; V275-L279 PolarHBondContact O-N 2.76Å; V275-P384 HydrophobicContact CG2-CB 3.63Å; V275-P384 HydrophobicContact CG2-CG 3.92Å; V275-Y418 HydrophobicContact CB-CD1 4.39Å; V275-Y418 HydrophobicContact CB-CD2 4.47Å; V275-Y418 HydrophobicContact CB-CE1 3.76Å; V275-Y418 HydrophobicContact CB-CE2 3.86Å; V275-Y418 VanDerWaalsContact CB-CZ 3.45Å; V275-Y418 HydrophobicContact CG1-CD1 3.89Å; V275-Y418 HydrophobicContact CG1-CD2 3.7Å; V275-Y418 HydrophobicContact CG1-CE1 3.76Å; V275-Y418 HydrophobicContact CG1-CE2 3.57Å; V275-Y418 HydrophobicContact CG1-CG 3.86Å; V275-Y418 HydrophobicContact CG2-CE2 4.06Å
276	I	95.4	Very high	92.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-41.9	173.6	-66	-175.8	0	0	0	110.8	T270 D273 R278 L279 A280 Y288 F319 Y418 R432	T270-I276 HydrophobicContact CG2-CD1 3.72Å; T270-I276 HydrophobicContact CG2-CG2 4.02Å; D273-I276 HydrophobicContact CB-CB 3.93Å; D273-I276 HydrophobicContact CB-CD1 3.91Å; D273-I276 HydrophobicContact CB-CG1 3.87Å; D273-I276 PolarHBondContact O-N 2.66Å; D273-I276 PolarHBondContact OD1-N 3.06Å; I276-R278 VanDerWaalsContact C-N 3.35Å; I276-R278 PolarHBondContact O-N 3.32Å; I276-L279 CarbonylContact O-C 3.6Å; I276-L279 PolarHBondContact O-N 2.85Å; I276-A280 VanDerWaalsContact O-CB 3.26Å; I276-A280 WeakPolarHBondContact O-CB 3.45Å; I276-A280 PolarHBondContact O-N 3.45Å; I276-Y288 HydrophobicContact CG2-CD1 3.74Å; I276-Y288 HydrophobicContact CG2-CG 3.98Å; I276-F319 HydrophobicContact CG2-CE1 4.27Å; I276-Y418 HydrophobicContact CD1-CE1 4.43Å; I276-Y418 HydrophobicContact CG1-CD1 4.14Å; I276-Y418 HydrophobicContact CG1-CE1 3.78Å; I276-R432 HydrophobicContact CD1-CB 4.31Å
277	H	93.6	Very high	93	Very high	87 Å²	87	43.6 Å²	43.6	40%	0.403	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-43	174.3	-82.5	-61.5	0	0	0	113.1	S271 D273 P274 V275 A280 S281	S271-H277 PolarHBondContact O-NE2 3.14Å; D273-H277 PolarHBondContact O-CD2 2.95Å; D273-H277 PolarHBondContact O-N 2.72Å; P274-H277 PolarHBondContact O-N 2.86Å; V275-H277 VanDerWaalsContact C-N 3.34Å; H277-A280 PolarHBondContact O-N 3.32Å; H277-S281 WeakPolarHBondContact O-CB 3.43Å; H277-S281 PolarHBondContact O-N 3.41Å; H277-S281 PolarHBondContact O-OG 3.17Å
278	R	94.6	Very high	93.4	Very high	102 Å²	102	39.8 Å²	39.8	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-60.1	-49.9	173.5	-177.4	177.8	64.1	166.9	-3.8	110.9	P274 V275 I276 A280 S281 D282 E381	P274-R278 PolarHBondContact O-N 2.97Å; V275-R278 WeakPolarHBondContact O-CB 3.45Å; V275-R278 PolarHBondContact O-N 3.24Å; I276-R278 VanDerWaalsContact C-N 3.35Å; I276-R278 PolarHBondContact O-N 3.32Å; R278-A280 VanDerWaalsContact C-N 3.3Å; R278-A280 PolarHBondContact O-N 3.05Å; R278-S281 WeakPolarHBondContact O-CB 3.36Å; R278-S281 PolarHBondContact O-N 2.88Å; R278-D282 PolarHBondContact O-N 3.29Å; R278-E381 IonicContact CZ-OE1 2.74Å; R278-E381 IonicContact CZ-OE2 3.26Å; R278-E381 IonicContact NH1-OE1 3.16Å; R278-E381 PolarHBondContact NH1-OE1 3.2Å; R278-E381 IonicContact NH1-OE2 2.69Å; R278-E381 IonicContact NH2-OE1 3.18Å; R278-E381 PolarHBondContact NH2-OE1 3.36Å; R278-E381 VanDerWaalsContact NH2-OE1 3.1Å; R278-E381 IonicContact NH2-OE2 2.91Å; R278-E381 PolarHBondContact NH2-OE2 2.95Å
279	L	94.1	Very high	93.6	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-29.8	179.3	-67	175.2	0	0	0	113.4	K234 V235 V275 I276 S283 V284 Y288 Y418 V430	K234-L279 HydrophobicContact CG-CD2 3.65Å; V235-L279 HydrophobicContact CG2-CD1 4.38Å; V235-L279 HydrophobicContact CG2-CD2 4.04Å; V275-L279 HydrophobicContact CG1-CD1 4.05Å; V275-L279 HydrophobicContact CG1-CG 4.35Å; V275-L279 WeakPolarHBondContact O-CB 3.29Å; V275-L279 VanDerWaalsContact O-CG 3.25Å; V275-L279 WeakPolarHBondContact O-CG 3.48Å; V275-L279 PolarHBondContact O-N 2.76Å; I276-L279 CarbonylContact O-C 3.6Å; I276-L279 PolarHBondContact O-N 2.85Å; L279-S283 PolarHBondContact O-N 3.34Å; L279-V284 HydrophobicContact CD2-CG2 4.02Å; L279-V284 WeakPolarHBondContact O-CB 3.26Å; L279-V284 PolarHBondContact O-N 3.11Å; L279-V284 VanDerWaalsContact O-N 3.13Å; L279-Y288 HydrophobicContact CB-CE1 4.28Å; L279-Y288 PolarHBondContact O-OH 3.36Å; L279-Y418 HydrophobicContact CD1-CD1 4.05Å; L279-Y418 HydrophobicContact CD1-CG 4.11Å; L279-V430 HydrophobicContact CD1-CG1 3.91Å
280	A	93.2	Very high	93.8	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-49.9	170.8	0	0	0	0	0	110.6	I276 H277 R278 D282 S283 Y288 R317 F319	I276-A280 VanDerWaalsContact O-CB 3.26Å; I276-A280 WeakPolarHBondContact O-CB 3.45Å; I276-A280 PolarHBondContact O-N 3.45Å; H277-A280 PolarHBondContact O-N 3.32Å; R278-A280 VanDerWaalsContact C-N 3.3Å; R278-A280 PolarHBondContact O-N 3.05Å; A280-D282 VanDerWaalsContact C-N 3.28Å; A280-D282 PolarHBondContact O-N 2.97Å; A280-S283 WeakPolarHBondContact O-CA 3.01Å; A280-S283 PolarHBondContact O-N 3.32Å; A280-Y288 VanDerWaalsContact CA-OH 3.3Å; A280-Y288 WeakPolarHBondContact CA-OH 3.3Å; A280-Y288 HydrophobicContact CB-CE1 4.19Å; A280-Y288 HydrophobicContact CB-CE2 4.12Å; A280-R317 PolarHBondContact O-NH1 3Å; A280-R317 PolarHBondContact O-NH2 2.95Å; A280-F319 HydrophobicContact CB-CE1 4.07Å; A280-F319 HydrophobicContact CB-CZ 3.89Å
281	S	92.4	Very high	93.9	Very high	86 Å²	86	38.1 Å²	38.1	60%	0.601	20%	0.201	S	C	*	.	H	α-helix	trans	-56	-43.4	177.8	-59.8	0	0	0	0	112	H277 R278 S283	H277-S281 WeakPolarHBondContact O-CB 3.43Å; H277-S281 PolarHBondContact O-N 3.41Å; H277-S281 PolarHBondContact O-OG 3.17Å; R278-S281 WeakPolarHBondContact O-CB 3.36Å; R278-S281 PolarHBondContact O-N 2.88Å; S281-S283 PolarHBondContact O-N 3.36Å; S281-S283 VanDerWaalsContact O-N 3.12Å
282	D	92.7	Very high	94.1	Very high	108 Å²	108	38.6 Å²	38.6	58%	0.578	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-1.9	176.4	-70.8	-11	0	0	0	114.3	R278 A280 V284	R278-D282 PolarHBondContact O-N 3.29Å; A280-D282 VanDerWaalsContact C-N 3.28Å; A280-D282 PolarHBondContact O-N 2.97Å; D282-V284 HydrophobicContact CB-CG2 3.75Å; D282-V284 PolarHBondContact O-N 3.22Å
283	S	89.2	Confident	94.3	Very high	78 Å²	78	31.2 Å²	31.2	55%	0.545	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	37.4	-178.7	-53.1	0	0	0	0	113.4	L279 A280 S281 G285 R317	L279-S283 PolarHBondContact O-N 3.34Å; A280-S283 WeakPolarHBondContact O-CA 3.01Å; A280-S283 PolarHBondContact O-N 3.32Å; S281-S283 PolarHBondContact O-N 3.36Å; S281-S283 VanDerWaalsContact O-N 3.12Å; S283-G285 PolarHBondContact O-N 2.89Å; S283-R317 PolarHBondContact OG-NH2 3.03Å
284	V	89.9	Confident	94.4	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.115	18%	0.175	C	C	.	.			trans	-67.4	-24.7	-178.8	176.9	0	0	0	0	112.1	K234 L279 D282 I420 Q428 V430	K234-V284 HydrophobicContact CG-CG1 4.44Å; L279-V284 HydrophobicContact CD2-CG2 4.02Å; L279-V284 WeakPolarHBondContact O-CB 3.26Å; L279-V284 PolarHBondContact O-N 3.11Å; L279-V284 VanDerWaalsContact O-N 3.13Å; D282-V284 HydrophobicContact CB-CG2 3.75Å; D282-V284 PolarHBondContact O-N 3.22Å; V284-I420 HydrophobicContact CG1-CD1 3.29Å; V284-I420 HydrophobicContact CG1-CG1 3.94Å; V284-Q428 PolarHBondContact O-OE1 3.49Å; V284-V430 HydrophobicContact CG1-CG2 4.36Å
285	G	90.5	Very high	94.5	Very high	7 Å²	7	28.3 Å²	28.3	7%	0.072	16%	0.156	C	C	.	.			trans	-154.5	-176.4	177.1	0	0	0	0	0	112.1	S283 Y288	S283-G285 PolarHBondContact O-N 2.89Å; G285-Y288 PolarHBondContact N-OH 2.84Å; G285-Y288 VanDerWaalsContact N-OH 3.11Å; G285-Y288 PolarHBondContact O-OH 3.26Å
286	K	94.5	Very high	94.5	Very high	45 Å²	45	29.8 Å²	29.8	20%	0.196	16%	0.163	C	C	.	.	S	Bend	trans	-110.8	-21.3	175.7	-60.8	-169	-176.4	-177.1	0	112.7	D316 R317 L318 D426 Q428 M561	K286-D316 WeakPolarHBondContact CD-OD2 3.3Å; K286-D316 VanDerWaalsContact CE-OD2 3.27Å; K286-D316 WeakPolarHBondContact CE-OD2 3.17Å; K286-D316 IonicContact NZ-OD2 2.89Å; K286-D316 PolarHBondContact NZ-OD2 3.27Å; K286-D316 VanDerWaalsContact NZ-OD2 3.14Å; K286-R317 CarbonylContact O-C 3.58Å; K286-R317 VanDerWaalsContact O-CA 3.23Å; K286-R317 WeakPolarHBondContact O-CA 3.33Å; K286-L318 PolarHBondContact O-N 3.31Å; K286-D426 WeakPolarHBondContact CD-O 3.49Å; K286-D426 WeakPolarHBondContact CE-O 3.42Å; K286-D426 WeakPolarHBondContact CE-OD2 3.41Å; K286-D426 PolarHBondContact NZ-O 3.01Å; K286-D426 IonicContact NZ-OD2 3.73Å; K286-D426 PolarHBondContact NZ-OD2 3.45Å; K286-Q428 PolarHBondContact N-O 3.45Å; K286-M561 HydrophobicContact CB-CE 3.57Å; K286-M561 HydrophobicContact CD-CE 4.35Å
287	V	96.7	Very high	94.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133	-177.1	-176.8	0	0	0	0	109.6	L318 F320 V427 Q428 M429 V430 V557 M561	V287-L318 CarbonylContact C-O 3.49Å; V287-L318 WeakPolarHBondContact CA-O 3.39Å; V287-L318 HydrophobicContact CG1-CB 4.48Å; V287-L318 HydrophobicContact CG2-CB 4.33Å; V287-L318 HydrophobicContact CG2-CD1 4.36Å; V287-F320 HydrophobicContact CG1-CD2 3.91Å; V287-F320 HydrophobicContact CG1-CE2 3.62Å; V287-V427 HydrophobicContact CG2-CG1 4.12Å; V287-Q428 PolarHBondContact N-O 3.3Å; V287-M429 HydrophobicContact CB-CB 4.18Å; V287-M429 HydrophobicContact CB-CG 4Å; V287-M429 HydrophobicContact CG1-CE 4.18Å; V287-M429 HydrophobicContact CG1-CG 3.98Å; V287-M429 HydrophobicContact CG1-SD 4.18Å; V287-M429 CarbonylContact O-C 3.47Å; V287-M429 WeakPolarHBondContact O-CA 3.44Å; V287-V430 PolarHBondContact O-N 3.41Å; V287-V557 HydrophobicContact CG1-CG2 4.23Å; V287-V557 HydrophobicContact CG2-CG1 3.65Å; V287-V557 HydrophobicContact CG2-CG2 4.35Å; V287-M561 HydrophobicContact CG2-CE 3.95Å
288	Y	97.5	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131	-178.4	-59.2	-88.3	0	0	0	109.8	I276 L279 A280 G285 R317 L318 F319 F320 V430	I276-Y288 HydrophobicContact CG2-CD1 3.74Å; I276-Y288 HydrophobicContact CG2-CG 3.98Å; L279-Y288 HydrophobicContact CB-CE1 4.28Å; L279-Y288 PolarHBondContact O-OH 3.36Å; A280-Y288 VanDerWaalsContact CA-OH 3.3Å; A280-Y288 WeakPolarHBondContact CA-OH 3.3Å; A280-Y288 HydrophobicContact CB-CE1 4.19Å; A280-Y288 HydrophobicContact CB-CE2 4.12Å; G285-Y288 PolarHBondContact N-OH 2.84Å; G285-Y288 VanDerWaalsContact N-OH 3.11Å; G285-Y288 PolarHBondContact O-OH 3.26Å; Y288-R317 HydrophobicContact CE2-CG 4.46Å; Y288-L318 PolarHBondContact N-O 3.15Å; Y288-F319 HydrophobicContact CD2-CD1 4.12Å; Y288-F319 AromaticContact CD2-CE1 3.66Å; Y288-F319 HydrophobicContact CD2-CE1 3.66Å; Y288-F319 AromaticContact CD2-CZ 3.93Å; Y288-F319 HydrophobicContact CD2-CZ 3.93Å; Y288-F319 HydrophobicContact CE2-CE1 4.41Å; Y288-F319 HydrophobicContact CE2-CZ 4.35Å; Y288-F319 HydrophobicContact CG-CD1 4.18Å; Y288-F319 AromaticContact CG-CE1 3.88Å; Y288-F319 HydrophobicContact CG-CE1 3.88Å; Y288-F320 PolarHBondContact O-N 3.38Å; Y288-V430 WeakPolarHBondContact CA-O 3.16Å; Y288-V430 HydrophobicContact CD1-CB 3.67Å; Y288-V430 HydrophobicContact CD1-CG1 4.2Å; Y288-V430 HydrophobicContact CD1-CG2 4.01Å; Y288-V430 HydrophobicContact CE1-CB 3.87Å; Y288-V430 HydrophobicContact CE1-CG1 4.41Å; Y288-V430 HydrophobicContact CE1-CG2 3.66Å
289	C	96.7	Very high	94.8	Very high	1 Å²	1	21 Å²	21	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	174.4	171.6	76.1	0	0	0	0	112.4	T270 I293 F320 M429 V430 I431 R432	T270-C289 WeakPolarHBondContact OG1-CA 2.97Å; C289-I293 HydrophobicContact CB-CB 4.42Å; C289-I293 HydrophobicContact CB-CG2 4.16Å; C289-F320 HydrophobicContact CB-CB 3.88Å; C289-M429 HydrophobicContact CB-CE 4.36Å; C289-M429 WeakPolarHBondContact SG-CE 3.18Å; C289-V430 PolarHBondContact N-O 3.15Å; C289-V430 VanDerWaalsContact N-O 3.14Å; C289-I431 WeakPolarHBondContact O-CA 3.27Å; C289-R432 PolarHBondContact O-N 2.77Å
290	T	96.7	Very high	94.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	162.5	164.9	65.8	0	0	0	0	111.4	T270 T292 I293 A294	T270-T290 PolarHBondContact OG1-N 3.44Å; T290-T292 VanDerWaalsContact C-N 3.32Å; T290-T292 PolarHBondContact O-N 2.83Å; T290-T292 PolarHBondContact OG1-OG1 3.02Å; T290-I293 PolarHBondContact O-N 3.25Å; T290-I293 WeakPolarHBondContact OG1-CD1 3.36Å; T290-I293 VanDerWaalsContact OG1-CG1 3.28Å; T290-I293 WeakPolarHBondContact OG1-CG1 3.11Å; T290-I293 PolarHBondContact OG1-N 3.26Å; T290-A294 PolarHBondContact O-N 2.91Å
291	D	96.3	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-35.1	175	60.6	-7.1	0	0	0	113	A294 A295 I431 R432 C433 E434 L503	D291-A294 PolarHBondContact O-N 3.16Å; D291-A295 WeakPolarHBondContact O-CB 3.27Å; D291-A295 PolarHBondContact O-N 3.02Å; D291-I431 HydrophobicContact CB-CG2 4.06Å; D291-R432 WeakPolarHBondContact CB-O 3.33Å; D291-R432 PolarHBondContact N-O 3.44Å; D291-C433 HydrophobicContact CB-CB 4.39Å; D291-E434 PolarHBondContact OD2-N 3.45Å; D291-L503 HydrophobicContact CB-CD1 4.41Å
292	T	95.1	Very high	95.1	Very high	42 Å²	42	19.3 Å²	19.3	26%	0.258	11%	0.11	S	C	.	.	H	α-helix	trans	-59.9	-48.9	175	54.5	0	0	0	0	111.3	T290 A295 M296	T290-T292 VanDerWaalsContact C-N 3.32Å; T290-T292 PolarHBondContact O-N 2.83Å; T290-T292 PolarHBondContact OG1-OG1 3.02Å; T292-A295 PolarHBondContact O-N 3.22Å; T292-M296 VanDerWaalsContact O-CG 3.32Å; T292-M296 WeakPolarHBondContact O-CG 3.4Å; T292-M296 PolarHBondContact O-N 3.02Å
293	I	96	Very high	95.2	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-63.9	-46.4	177.7	-68	173	0	0	0	110.6	C289 T290 A295 M296 I297 L309 F320 K322	C289-I293 HydrophobicContact CB-CB 4.42Å; C289-I293 HydrophobicContact CB-CG2 4.16Å; T290-I293 PolarHBondContact O-N 3.25Å; T290-I293 WeakPolarHBondContact OG1-CD1 3.36Å; T290-I293 VanDerWaalsContact OG1-CG1 3.28Å; T290-I293 WeakPolarHBondContact OG1-CG1 3.11Å; T290-I293 PolarHBondContact OG1-N 3.26Å; I293-A295 VanDerWaalsContact C-N 3.3Å; I293-A295 PolarHBondContact O-N 3.27Å; I293-M296 PolarHBondContact O-N 3.32Å; I293-I297 HydrophobicContact CG2-CD1 4.39Å; I293-I297 WeakPolarHBondContact O-CG1 3.49Å; I293-I297 PolarHBondContact O-N 2.66Å; I293-I297 VanDerWaalsContact O-N 3.15Å; I293-L309 HydrophobicContact CG1-CD2 4.06Å; I293-L309 HydrophobicContact CG2-CD1 3.95Å; I293-L309 HydrophobicContact CG2-CD2 4.13Å; I293-F320 VanDerWaalsContact CD1-O 3.27Å; I293-F320 WeakPolarHBondContact CD1-O 3.17Å; I293-F320 HydrophobicContact CG2-CB 3.69Å; I293-K322 HydrophobicContact CD1-CB 4.34Å; I293-K322 HydrophobicContact CD1-CG 4.43Å
294	A	96.9	Very high	95.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.1	-44.2	175.7	0	0	0	0	0	111.5	T290 D291 I297 M298 I431 L503	T290-A294 PolarHBondContact O-N 2.91Å; D291-A294 PolarHBondContact O-N 3.16Å; A294-I297 PolarHBondContact O-N 2.88Å; A294-M298 VanDerWaalsContact O-CB 3.32Å; A294-M298 WeakPolarHBondContact O-CB 3.35Å; A294-M298 VanDerWaalsContact O-CG 3.25Å; A294-M298 WeakPolarHBondContact O-CG 3.42Å; A294-M298 PolarHBondContact O-N 3.13Å; A294-I431 HydrophobicContact CB-CD1 4.18Å; A294-L503 HydrophobicContact CB-CD1 3.82Å
295	A	96.8	Very high	95.5	Very high	3 Å²	3	14.2 Å²	14.2	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-38.4	179.6	0	0	0	0	0	112.7	D291 T292 I293 M298 C299 V499 C500	D291-A295 WeakPolarHBondContact O-CB 3.27Å; D291-A295 PolarHBondContact O-N 3.02Å; T292-A295 PolarHBondContact O-N 3.22Å; I293-A295 VanDerWaalsContact C-N 3.3Å; I293-A295 PolarHBondContact O-N 3.27Å; A295-M298 PolarHBondContact O-N 3.2Å; A295-C299 VanDerWaalsContact O-CB 3.24Å; A295-C299 WeakPolarHBondContact O-CB 3.39Å; A295-C299 PolarHBondContact O-N 3.22Å; A295-C299 PolarHBondContact O-SG 3.35Å; A295-V499 HydrophobicContact CB-CB 4.04Å; A295-V499 HydrophobicContact CB-CG1 3.87Å; A295-C500 VanDerWaalsContact CB-SG 3.5Å
296	M	95.3	Very high	95.7	Very high	40 Å²	40	15.5 Å²	15.5	20%	0.197	8%	0.082	C	C	.	.	H	α-helix	trans	-59.6	-46	173.8	-72.3	171.8	71.7	0	0	111.5	T292 I293 C300 W307 L309 F492	T292-M296 VanDerWaalsContact O-CG 3.32Å; T292-M296 WeakPolarHBondContact O-CG 3.4Å; T292-M296 PolarHBondContact O-N 3.02Å; I293-M296 PolarHBondContact O-N 3.32Å; M296-C300 WeakPolarHBondContact O-CA 3.41Å; M296-C300 WeakPolarHBondContact O-CB 3Å; M296-C300 PolarHBondContact O-N 3.11Å; M296-W307 HydrophobicContact CE-CB 3.74Å; M296-W307 HydrophobicContact CE-CD2 3.72Å; M296-W307 HydrophobicContact CE-CE3 3.74Å; M296-W307 HydrophobicContact CE-CG 3.74Å; M296-L309 HydrophobicContact CE-CD2 4.2Å; M296-L309 HydrophobicContact SD-CD2 4.3Å; M296-F492 HydrophobicContact CB-CZ 4.47Å; M296-F492 HydrophobicContact CG-CZ 4.32Å
297	I	96.7	Very high	95.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-67	-49.7	178.3	-60.7	176.2	0	0	0	110.6	I293 A294 C299 C300 L309 F320 I552 L553 V556 M570	I293-I297 HydrophobicContact CG2-CD1 4.39Å; I293-I297 WeakPolarHBondContact O-CG1 3.49Å; I293-I297 PolarHBondContact O-N 2.66Å; I293-I297 VanDerWaalsContact O-N 3.15Å; A294-I297 PolarHBondContact O-N 2.88Å; I297-C299 VanDerWaalsContact C-N 3.27Å; I297-C299 PolarHBondContact O-N 3.37Å; I297-C300 WeakPolarHBondContact O-CB 3.19Å; I297-C300 PolarHBondContact O-N 3.03Å; I297-C300 PolarHBondContact O-SG 3.31Å; I297-L309 HydrophobicContact CD1-CD1 3.95Å; I297-L309 HydrophobicContact CG1-CD1 3.68Å; I297-F320 HydrophobicContact CD1-CD1 3.84Å; I297-F320 HydrophobicContact CD1-CE1 3.9Å; I297-I552 HydrophobicContact CG2-CG2 4.29Å; I297-I552 VanDerWaalsContact O-CG2 3.32Å; I297-I552 WeakPolarHBondContact O-CG2 3.46Å; I297-L553 HydrophobicContact CB-CD1 4.08Å; I297-L553 HydrophobicContact CD1-CD1 4.11Å; I297-L553 HydrophobicContact CG2-CD1 3.76Å; I297-V556 HydrophobicContact CG2-CB 4.25Å; I297-V556 HydrophobicContact CG2-CG2 3.93Å; I297-M570 HydrophobicContact CD1-CE 3.87Å; I297-M570 HydrophobicContact CG1-CE 3.79Å
298	M	97.2	Very high	95.4	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-58.5	-37.4	179.9	-78.2	-167.6	-177.9	0	0	112.8	A294 A295 V499 L503 M546 A549 W550 L553	A294-M298 VanDerWaalsContact O-CB 3.32Å; A294-M298 WeakPolarHBondContact O-CB 3.35Å; A294-M298 VanDerWaalsContact O-CG 3.25Å; A294-M298 WeakPolarHBondContact O-CG 3.42Å; A294-M298 PolarHBondContact O-N 3.13Å; A295-M298 PolarHBondContact O-N 3.2Å; M298-V499 HydrophobicContact CB-CG1 4.33Å; M298-V499 HydrophobicContact CG-CG1 4.48Å; M298-V499 HydrophobicContact SD-CG1 3.44Å; M298-V499 WeakPolarHBondContact SD-CG1 3.4Å; M298-L503 HydrophobicContact CE-CD2 4.07Å; M298-M546 HydrophobicContact SD-CE 4.47Å; M298-A549 HydrophobicContact CB-CB 3.87Å; M298-A549 HydrophobicContact CG-CB 3.99Å; M298-A549 HydrophobicContact SD-CB 3.96Å; M298-W550 HydrophobicContact CE-CD2 3.63Å; M298-W550 HydrophobicContact CE-CE3 3.36Å; M298-W550 HydrophobicContact CE-CG 4.47Å; M298-W550 HydrophobicContact CE-CH2 3.58Å; M298-W550 HydrophobicContact CE-CZ2 3.84Å; M298-W550 HydrophobicContact CE-CZ3 3.33Å; M298-L553 HydrophobicContact CE-CB 4.46Å; M298-L553 HydrophobicContact CE-CD2 3.35Å; M298-L553 HydrophobicContact CG-CB 4.19Å; M298-L553 HydrophobicContact CG-CD2 4.28Å
299	C	96.2	Very high	95.3	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	8.6	-176.8	-61.1	0	0	0	0	113.9	A295 I297 T301 R302 F492 A495 V499	A295-C299 VanDerWaalsContact O-CB 3.24Å; A295-C299 WeakPolarHBondContact O-CB 3.39Å; A295-C299 PolarHBondContact O-N 3.22Å; A295-C299 PolarHBondContact O-SG 3.35Å; I297-C299 VanDerWaalsContact C-N 3.27Å; I297-C299 PolarHBondContact O-N 3.37Å; C299-T301 PolarHBondContact O-N 3.3Å; C299-R302 PolarHBondContact O-N 3.42Å; C299-F492 HydrophobicContact CB-CD2 4.04Å; C299-F492 HydrophobicContact CB-CE2 3.97Å; C299-F492 WeakPolarHBondContact O-CD2 3.45Å; C299-A495 HydrophobicContact CB-CB 4.14Å; C299-V499 VanDerWaalsContact SG-CG2 3.53Å
300	C	95.6	Very high	95.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-53.6	-32.6	-171	63.5	0	0	0	0	113.8	F217 M296 I297 R302 S303 W307 L579	F217-C300 VanDerWaalsContact CE2-O 3.24Å; F217-C300 WeakPolarHBondContact CE2-O 3.19Å; F217-C300 WeakPolarHBondContact CZ-O 3.47Å; M296-C300 WeakPolarHBondContact O-CA 3.41Å; M296-C300 WeakPolarHBondContact O-CB 3Å; M296-C300 PolarHBondContact O-N 3.11Å; I297-C300 WeakPolarHBondContact O-CB 3.19Å; I297-C300 PolarHBondContact O-N 3.03Å; I297-C300 PolarHBondContact O-SG 3.31Å; C300-R302 PolarHBondContact O-N 3.14Å; C300-S303 WeakPolarHBondContact O-CB 3.19Å; C300-S303 PolarHBondContact O-N 3.43Å; C300-W307 HydrophobicContact CB-CH2 4.44Å; C300-W307 HydrophobicContact CB-CZ2 3.83Å; C300-L579 HydrophobicContact CB-CD1 4.18Å
301	T	95.5	Very high	95.1	Very high	26 Å²	26	15.4 Å²	15.4	16%	0.16	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-62.7	-11.7	179.4	60.3	0	0	0	0	114.5	L220 C299 I552	L220-T301 HydrophobicContact CB-CG2 3.94Å; C299-T301 PolarHBondContact O-N 3.3Å; T301-I552 HydrophobicContact CG2-CD1 3.85Å
302	R	95	Very high	95	Very high	31 Å²	31	19 Å²	19	12%	0.117	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-101.4	-13.1	177	-58.5	-177.6	-178	-146.8	-3.7	113.5	C299 C300 T336 A491 F492 L542 N543	C299-R302 PolarHBondContact O-N 3.42Å; C300-R302 PolarHBondContact O-N 3.14Å; R302-T336 WeakPolarHBondContact O-CG2 3.45Å; R302-A491 WeakPolarHBondContact CD-O 3.29Å; R302-F492 HydrophobicContact CB-CB 4.16Å; R302-F492 HydrophobicContact CB-CD2 4.24Å; R302-L542 PolarHBondContact NH1-O 3.24Å; R302-L542 PolarHBondContact NH2-O 3.24Å; R302-N543 VanDerWaalsContact NH2-C 3.27Å; R302-N543 PolarHBondContact NH2-O 2.99Å
303	S	94.4	Very high	94.9	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.035	9%	0.093	C	C	.	.			trans	-72.3	138	-177.7	166.2	0	0	0	0	111.7	C300 Y305 W307	C300-S303 WeakPolarHBondContact O-CB 3.19Å; C300-S303 PolarHBondContact O-N 3.43Å; S303-Y305 PolarHBondContact OG-O 3.49Å; S303-W307 VanDerWaalsContact OG-CD1 3.25Å; S303-W307 PolarHBondContact OG-NE1 2.78Å
304	V	93.6	Very high	94.8	Very high	49 Å²	49	22 Å²	22	30%	0.297	11%	0.11	S	C	.	.			trans	-113.6	-48.6	175.5	178.1	0	0	0	0	109.7	E335 T336 K572	V304-E335 HydrophobicContact CB-CG 3.8Å; V304-E335 HydrophobicContact CG2-CG 4.36Å; V304-E335 PolarHBondContact N-OE1 2.97Å; V304-T336 HydrophobicContact CG2-CG2 4.06Å; V304-K572 PolarHBondContact O-NZ 3.02Å
305	Y	92.7	Very high	94.5	Very high	44 Å²	44	28 Å²	28	17%	0.173	14%	0.138	C	C	.	.	S	Bend	trans	-69	148.4	177.6	-65.4	-29.5	0	0	0	111.2	S303 E335	S303-Y305 PolarHBondContact OG-O 3.49Å; Y305-E335 HydrophobicContact CD1-CG 4.27Å; Y305-E335 HydrophobicContact CD2-CB 3.82Å; Y305-E335 HydrophobicContact CD2-CG 3.5Å; Y305-E335 HydrophobicContact CE1-CG 4.47Å; Y305-E335 HydrophobicContact CE2-CB 3.58Å; Y305-E335 HydrophobicContact CE2-CG 3.73Å; Y305-E335 HydrophobicContact CG-CG 3.79Å; Y305-E335 PolarHBondContact N-OE1 3.43Å
306	P	93.3	Very high	94.2	Very high	34 Å²	34	31.7 Å²	31.7	22%	0.221	16%	0.157	C	C	.	.			trans	-67.8	149.5	175.5	33.4	-38.3	0	0	0	110.3	D200 P574	D200-P306 WeakPolarHBondContact O-CG 3.47Å; P306-P574 HydrophobicContact CB-CB 4.05Å; P306-P574 HydrophobicContact CG-CB 4.17Å
307	W	93.6	Very high	94.1	Very high	21 Å²	21	32.7 Å²	32.7	8%	0.08	16%	0.158	C	C	.	.			trans	-154.7	158.4	169.6	52.7	-93.9	0	0	0	106.9	M296 C300 S303 L309 M570 L571 K572 L579	M296-W307 HydrophobicContact CE-CB 3.74Å; M296-W307 HydrophobicContact CE-CD2 3.72Å; M296-W307 HydrophobicContact CE-CE3 3.74Å; M296-W307 HydrophobicContact CE-CG 3.74Å; C300-W307 HydrophobicContact CB-CH2 4.44Å; C300-W307 HydrophobicContact CB-CZ2 3.83Å; S303-W307 VanDerWaalsContact OG-CD1 3.25Å; S303-W307 PolarHBondContact OG-NE1 2.78Å; W307-L309 HydrophobicContact CE3-CD1 4.21Å; W307-L309 HydrophobicContact CE3-CG 3.92Å; W307-L309 HydrophobicContact CH2-CD1 4.41Å; W307-L309 HydrophobicContact CZ3-CB 4.49Å; W307-L309 HydrophobicContact CZ3-CD1 3.61Å; W307-L309 HydrophobicContact CZ3-CG 3.73Å; W307-M570 HydrophobicContact CH2-CE 4.21Å; W307-M570 HydrophobicContact CZ3-CE 4.12Å; W307-L571 CarbonylContact O-C 3.56Å; W307-L571 WeakPolarHBondContact O-CA 3.18Å; W307-K572 HydrophobicContact CD2-CB 4.05Å; W307-K572 HydrophobicContact CG-CB 4.16Å; W307-K572 HydrophobicContact CZ2-CB 4.22Å; W307-K572 PolarHBondContact O-N 3.02Å; W307-L579 HydrophobicContact CH2-CD2 3.85Å; W307-L579 HydrophobicContact CZ2-CD2 3.71Å
308	D	93.3	Very high	94.1	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154	176.1	57.5	-90.5	0	0	0	111.5	S202 I203 R323 L569 M570 L571	S202-D308 WeakPolarHBondContact CB-OD1 3.39Å; S202-D308 PolarHBondContact OG-OD1 2.79Å; I203-D308 HydrophobicContact CG2-CB 4.49Å; D308-R323 IonicContact OD1-CZ 2.74Å; D308-R323 IonicContact OD1-NE 2.93Å; D308-R323 IonicContact OD1-NH1 3.46Å; D308-R323 IonicContact OD1-NH2 2.87Å; D308-R323 VanDerWaalsContact OD2-CD 3.24Å; D308-R323 WeakPolarHBondContact OD2-CD 3.47Å; D308-R323 WeakPolarHBondContact OD2-CG 3.48Å; D308-R323 IonicContact OD2-CZ 2.61Å; D308-R323 IonicContact OD2-NE 3.9Å; D308-R323 PolarHBondContact OD2-NE 2.97Å; D308-R323 IonicContact OD2-NH1 3.92Å; D308-L569 HydrophobicContact CB-CD1 4.03Å; D308-L569 HydrophobicContact CB-CG 4.46Å; D308-M570 CarbonylContact C-O 3.47Å; D308-M570 VanDerWaalsContact CA-O 3.27Å; D308-M570 WeakPolarHBondContact CA-O 3.45Å; D308-L571 HydrophobicContact CB-CB 3.9Å
309	L	94.2	Very high	94	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135	177.4	-67	175.7	0	0	0	108.4	I293 M296 I297 W307 K322 M570	I293-L309 HydrophobicContact CG1-CD2 4.06Å; I293-L309 HydrophobicContact CG2-CD1 3.95Å; I293-L309 HydrophobicContact CG2-CD2 4.13Å; M296-L309 HydrophobicContact CE-CD2 4.2Å; M296-L309 HydrophobicContact SD-CD2 4.3Å; I297-L309 HydrophobicContact CD1-CD1 3.95Å; I297-L309 HydrophobicContact CG1-CD1 3.68Å; W307-L309 HydrophobicContact CE3-CD1 4.21Å; W307-L309 HydrophobicContact CE3-CG 3.92Å; W307-L309 HydrophobicContact CH2-CD1 4.41Å; W307-L309 HydrophobicContact CZ3-CB 4.49Å; W307-L309 HydrophobicContact CZ3-CD1 3.61Å; W307-L309 HydrophobicContact CZ3-CG 3.73Å; L309-K322 HydrophobicContact CD2-CB 4.5Å; L309-M570 HydrophobicContact CB-CE 4.47Å; L309-M570 HydrophobicContact CD1-CE 3.87Å; L309-M570 PolarHBondContact N-O 2.89Å; L309-M570 PolarHBondContact O-N 2.89Å
310	I	93.9	Very high	94.1	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.067	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.9	173.8	-61.9	170.7	0	0	0	107.3	D321 R323 K567 L569	I310-D321 HydrophobicContact CB-CB 4.18Å; I310-D321 PolarHBondContact N-O 2.88Å; I310-D321 PolarHBondContact O-N 2.97Å; I310-R323 HydrophobicContact CD1-CG 4.13Å; I310-K567 HydrophobicContact CG2-CD 4.41Å; I310-K567 HydrophobicContact CG2-CG 4.1Å; I310-L569 HydrophobicContact CG1-CD1 4.14Å
311	V	95.4	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.2	175.5	-172.1	0	0	0	0	108.5	F319 F320 F560 Y568	V311-F319 CarbonylContact C-O 3.56Å; V311-F319 WeakPolarHBondContact CA-O 3.44Å; V311-F320 HydrophobicContact CB-CD1 4.41Å; V311-F320 HydrophobicContact CB-CE1 4.44Å; V311-F320 HydrophobicContact CG1-CD1 4.19Å; V311-F320 HydrophobicContact CG1-CE1 3.97Å; V311-F320 HydrophobicContact CG1-CE2 4.5Å; V311-F320 HydrophobicContact CG1-CZ 4.14Å; V311-F320 HydrophobicContact CG2-CD1 3.48Å; V311-F320 VanDerWaalsContact CG2-CD1 3.48Å; V311-F320 HydrophobicContact CG2-CE1 3.57Å; V311-F320 HydrophobicContact CG2-CG 4.38Å; V311-F560 HydrophobicContact CB-CD1 4.3Å; V311-F560 HydrophobicContact CB-CE1 4.07Å; V311-F560 HydrophobicContact CB-CE2 4.28Å; V311-F560 HydrophobicContact CB-CZ 4.06Å; V311-F560 HydrophobicContact CG1-CB 4.34Å; V311-F560 HydrophobicContact CG1-CD1 3.95Å; V311-F560 HydrophobicContact CG1-CD2 3.96Å; V311-F560 HydrophobicContact CG1-CE1 4.23Å; V311-F560 HydrophobicContact CG1-CE2 4.22Å; V311-F560 HydrophobicContact CG1-CG 3.82Å; V311-F560 HydrophobicContact CG1-CZ 4.35Å; V311-F560 HydrophobicContact CG2-CD2 4.33Å; V311-F560 HydrophobicContact CG2-CE1 4.28Å; V311-F560 HydrophobicContact CG2-CE2 3.77Å; V311-F560 HydrophobicContact CG2-CZ 3.75Å; V311-Y568 PolarHBondContact N-O 3.47Å; V311-Y568 PolarHBondContact O-N 3.11Å
312	Q	94.1	Very high	93.8	Very high	76 Å²	76	33.3 Å²	33.3	36%	0.355	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.3	177.5	-161.5	176.4	8.9	0	0	109.7	I314 L318 F319	Q312-I314 HydrophobicContact CG-CD1 4.19Å; Q312-I314 HydrophobicContact CG-CG1 3.89Å; Q312-L318 WeakPolarHBondContact O-CA 3.26Å; Q312-F319 HydrophobicContact CB-CB 4.47Å; Q312-F319 PolarHBondContact N-O 2.87Å; Q312-F319 PolarHBondContact O-N 3.28Å
313	R	94.3	Very high	93.4	Very high	35 Å²	35	33.9 Å²	33.9	13%	0.132	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.6	169.8	-176.9	174.7	-178.5	149.7	8.9	109.7	Q315 L318 F560 M561 M563 P564 E565 G566 Y568	R313-Q315 PolarHBondContact NE-O 2.64Å; R313-Q315 VanDerWaalsContact NE-O 3.11Å; R313-L318 HydrophobicContact CB-CD2 3.68Å; R313-L318 HydrophobicContact CG-CD2 3.8Å; R313-F560 PolarHBondContact NH1-O 3.39Å; R313-M561 VanDerWaalsContact NH1-CA 3.31Å; R313-M561 PolarHBondContact NH1-O 3.02Å; R313-M561 PolarHBondContact NH2-O 2.91Å; R313-M563 WeakPolarHBondContact CD-O 3.45Å; R313-M563 PolarHBondContact NE-O 2.9Å; R313-M563 PolarHBondContact NH1-O 2.98Å; R313-P564 WeakPolarHBondContact CD-O 3.48Å; R313-E565 HydrophobicContact CG-CG 4.48Å; R313-G566 PolarHBondContact N-O 2.88Å; R313-G566 PolarHBondContact O-N 3.35Å; R313-G566 VanDerWaalsContact O-N 3.11Å; R313-Y568 HydrophobicContact CB-CE2 4.19Å
314	I	92.6	Very high	92.7	Very high	71 Å²	71	38.3 Å²	38.3	36%	0.364	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.3	174.8	-52.5	177.2	0	0	0	106.6	Q312 D316 R317 F319	Q312-I314 HydrophobicContact CG-CD1 4.19Å; Q312-I314 HydrophobicContact CG-CG1 3.89Å; I314-D316 PolarHBondContact O-N 3.27Å; I314-R317 PolarHBondContact N-O 2.79Å; I314-R317 WeakPolarHBondContact O-CB 3.31Å; I314-R317 PolarHBondContact O-N 3.35Å; I314-F319 HydrophobicContact CD1-CD2 4.2Å; I314-F319 HydrophobicContact CD1-CE2 4.15Å
315	Q	90	Very high	92	Very high	126 Å²	126	38.3 Å²	38.3	59%	0.589	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	-124.5	-175.8	-56.6	176.5	-10.8	0	0	112.7	R313 R317 E565	R313-Q315 PolarHBondContact NE-O 2.64Å; R313-Q315 VanDerWaalsContact NE-O 3.11Å; Q315-R317 VanDerWaalsContact C-N 3.31Å; Q315-E565 VanDerWaalsContact CA-OE1 3.26Å; Q315-E565 WeakPolarHBondContact CA-OE1 3.4Å; Q315-E565 VanDerWaalsContact N-CD 3.35Å
316	D	90.5	Very high	90.6	Very high	80 Å²	80	39.5 Å²	39.5	43%	0.428	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	16.7	176.4	-158.5	40.1	0	0	0	112.6	K286 I314	K286-D316 WeakPolarHBondContact CD-OD2 3.3Å; K286-D316 VanDerWaalsContact CE-OD2 3.27Å; K286-D316 WeakPolarHBondContact CE-OD2 3.17Å; K286-D316 IonicContact NZ-OD2 2.89Å; K286-D316 PolarHBondContact NZ-OD2 3.27Å; K286-D316 VanDerWaalsContact NZ-OD2 3.14Å; I314-D316 PolarHBondContact O-N 3.27Å
317	R	93.9	Very high	89.9	Confident	60 Å²	60	42.9 Å²	42.9	23%	0.226	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.1	-178.8	-58	178.3	-170.9	164.6	-0.8	111.8	A280 S283 K286 Y288 I314 Q315 F319	A280-R317 PolarHBondContact O-NH1 3Å; A280-R317 PolarHBondContact O-NH2 2.95Å; S283-R317 PolarHBondContact OG-NH2 3.03Å; K286-R317 CarbonylContact O-C 3.58Å; K286-R317 VanDerWaalsContact O-CA 3.23Å; K286-R317 WeakPolarHBondContact O-CA 3.33Å; Y288-R317 HydrophobicContact CE2-CG 4.46Å; I314-R317 PolarHBondContact N-O 2.79Å; I314-R317 WeakPolarHBondContact O-CB 3.31Å; I314-R317 PolarHBondContact O-N 3.35Å; Q315-R317 VanDerWaalsContact C-N 3.31Å; R317-F319 HydrophobicContact CB-CE2 3.94Å; R317-F319 HydrophobicContact CB-CZ 4.47Å
318	L	96	Very high	89.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.1	175.1	-64.9	179	0	0	0	110.1	K286 V287 Y288 Q312 R313 F320 V557 F560 M561	K286-L318 PolarHBondContact O-N 3.31Å; V287-L318 CarbonylContact C-O 3.49Å; V287-L318 WeakPolarHBondContact CA-O 3.39Å; V287-L318 HydrophobicContact CG1-CB 4.48Å; V287-L318 HydrophobicContact CG2-CB 4.33Å; V287-L318 HydrophobicContact CG2-CD1 4.36Å; Y288-L318 PolarHBondContact N-O 3.15Å; Q312-L318 WeakPolarHBondContact O-CA 3.26Å; R313-L318 HydrophobicContact CB-CD2 3.68Å; R313-L318 HydrophobicContact CG-CD2 3.8Å; L318-F320 HydrophobicContact CB-CE2 4.21Å; L318-V557 HydrophobicContact CD1-CG1 4.37Å; L318-F560 HydrophobicContact CD1-CB 3.65Å; L318-F560 HydrophobicContact CD2-CB 3.88Å; L318-F560 HydrophobicContact CG-CB 4.44Å; L318-M561 HydrophobicContact CB-CE 4.46Å; L318-M561 HydrophobicContact CD1-CE 3.83Å; L318-M561 HydrophobicContact CD1-CG 3.69Å; L318-M561 HydrophobicContact CD1-SD 3.89Å; L318-M561 HydrophobicContact CG-CE 3.75Å; L318-M561 HydrophobicContact CG-CG 4.4Å; L318-M561 HydrophobicContact CG-SD 3.94Å
319	F	96.7	Very high	88.8	Confident	13 Å²	13	45.7 Å²	45.7	6%	0.057	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.6	171	-61.2	-92	0	0	0	108	T270 I276 A280 Y288 V311 Q312 I314 R317	T270-F319 HydrophobicContact CG2-CD1 4.27Å; I276-F319 HydrophobicContact CG2-CE1 4.27Å; A280-F319 HydrophobicContact CB-CE1 4.07Å; A280-F319 HydrophobicContact CB-CZ 3.89Å; Y288-F319 HydrophobicContact CD2-CD1 4.12Å; Y288-F319 AromaticContact CD2-CE1 3.66Å; Y288-F319 HydrophobicContact CD2-CE1 3.66Å; Y288-F319 AromaticContact CD2-CZ 3.93Å; Y288-F319 HydrophobicContact CD2-CZ 3.93Å; Y288-F319 HydrophobicContact CE2-CE1 4.41Å; Y288-F319 HydrophobicContact CE2-CZ 4.35Å; Y288-F319 HydrophobicContact CG-CD1 4.18Å; Y288-F319 AromaticContact CG-CE1 3.88Å; Y288-F319 HydrophobicContact CG-CE1 3.88Å; V311-F319 CarbonylContact C-O 3.56Å; V311-F319 WeakPolarHBondContact CA-O 3.44Å; Q312-F319 HydrophobicContact CB-CB 4.47Å; Q312-F319 PolarHBondContact N-O 2.87Å; Q312-F319 PolarHBondContact O-N 3.28Å; I314-F319 HydrophobicContact CD1-CD2 4.2Å; I314-F319 HydrophobicContact CD1-CE2 4.15Å; R317-F319 HydrophobicContact CB-CE2 3.94Å; R317-F319 HydrophobicContact CB-CZ 4.47Å
320	F	96.6	Very high	88.6	Confident	1 Å²	1	48.6 Å²	48.6	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.3	171.7	-68.1	-100.4	0	0	0	108.8	T270 V287 Y288 C289 I293 I297 V311 L318 V556 V557 F560	T270-F320 WeakPolarHBondContact CB-O 3.49Å; T270-F320 PolarHBondContact OG1-O 3Å; V287-F320 HydrophobicContact CG1-CD2 3.91Å; V287-F320 HydrophobicContact CG1-CE2 3.62Å; Y288-F320 PolarHBondContact O-N 3.38Å; C289-F320 HydrophobicContact CB-CB 3.88Å; I293-F320 VanDerWaalsContact CD1-O 3.27Å; I293-F320 WeakPolarHBondContact CD1-O 3.17Å; I293-F320 HydrophobicContact CG2-CB 3.69Å; I297-F320 HydrophobicContact CD1-CD1 3.84Å; I297-F320 HydrophobicContact CD1-CE1 3.9Å; V311-F320 HydrophobicContact CB-CD1 4.41Å; V311-F320 HydrophobicContact CB-CE1 4.44Å; V311-F320 HydrophobicContact CG1-CD1 4.19Å; V311-F320 HydrophobicContact CG1-CE1 3.97Å; V311-F320 HydrophobicContact CG1-CE2 4.5Å; V311-F320 HydrophobicContact CG1-CZ 4.14Å; V311-F320 HydrophobicContact CG2-CD1 3.48Å; V311-F320 VanDerWaalsContact CG2-CD1 3.48Å; V311-F320 HydrophobicContact CG2-CE1 3.57Å; V311-F320 HydrophobicContact CG2-CG 4.38Å; L318-F320 HydrophobicContact CB-CE2 4.21Å; F320-V556 HydrophobicContact CE1-CG1 4.02Å; F320-V556 HydrophobicContact CZ-CG1 4.28Å; F320-V557 HydrophobicContact CE2-CG2 4.3Å; F320-V557 HydrophobicContact CZ-CG2 4.27Å; F320-F560 HydrophobicContact CE1-CD2 4.07Å; F320-F560 HydrophobicContact CE1-CE2 4.12Å; F320-F560 HydrophobicContact CZ-CD2 4.03Å
321	D	94.6	Very high	88.7	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.7	-178.9	-76	-64.6	0	0	0	111	T269 T270 S271 I310	T269-D321 WeakPolarHBondContact CG2-OD1 3.34Å; T269-D321 WeakPolarHBondContact OG1-CA 3.4Å; T269-D321 WeakPolarHBondContact OG1-CB 3.46Å; T269-D321 PolarHBondContact OG1-OD1 2.73Å; T270-D321 WeakPolarHBondContact CA-OD1 3.37Å; T270-D321 WeakPolarHBondContact CB-OD1 3.25Å; T270-D321 PolarHBondContact N-OD1 3.01Å; T270-D321 VanDerWaalsContact N-OD1 3.08Å; S271-D321 WeakPolarHBondContact CB-OD1 3.23Å; S271-D321 VanDerWaalsContact CB-OD2 3.29Å; S271-D321 WeakPolarHBondContact CB-OD2 3.38Å; S271-D321 PolarHBondContact N-OD1 3.04Å; S271-D321 PolarHBondContact OG-OD1 3.08Å; S271-D321 PolarHBondContact OG-OD2 3.37Å; I310-D321 HydrophobicContact CB-CB 4.18Å; I310-D321 PolarHBondContact N-O 2.88Å; I310-D321 PolarHBondContact O-N 2.97Å
322	K	91.1	Very high	88.6	Confident	19 Å²	19	49.9 Å²	49.9	8%	0.083	25%	0.253	C	S	.	.			trans	-96.2	159.9	162.6	57	167	-176.2	157.6	0	108.5	T267 T269 I293 L309 D329	T267-K322 WeakPolarHBondContact O-CE 3.39Å; T267-K322 PolarHBondContact O-NZ 3.15Å; T269-K322 PolarHBondContact OG1-N 3.01Å; T269-K322 VanDerWaalsContact OG1-N 3.16Å; I293-K322 HydrophobicContact CD1-CB 4.34Å; I293-K322 HydrophobicContact CD1-CG 4.43Å; L309-K322 HydrophobicContact CD2-CB 4.5Å; K322-D329 IonicContact NZ-OD1 2.83Å; K322-D329 PolarHBondContact NZ-OD1 3.01Å; K322-D329 IonicContact NZ-OD2 3.57Å; K322-D329 PolarHBondContact NZ-OD2 2.84Å
323	R	86.3	Confident	88.7	Confident	43 Å²	43	46.4 Å²	46.4	16%	0.162	24%	0.238	C	C	.	.			trans	-63.7	156.3	167.2	-67.4	-168.3	-47.8	-161.9	-2.5	110	S202 D308 I310 D325 S328	S202-R323 PolarHBondContact O-NH1 3.13Å; S202-R323 PolarHBondContact O-NH2 3.3Å; D308-R323 IonicContact OD1-CZ 2.74Å; D308-R323 IonicContact OD1-NE 2.93Å; D308-R323 IonicContact OD1-NH1 3.46Å; D308-R323 IonicContact OD1-NH2 2.87Å; D308-R323 VanDerWaalsContact OD2-CD 3.24Å; D308-R323 WeakPolarHBondContact OD2-CD 3.47Å; D308-R323 WeakPolarHBondContact OD2-CG 3.48Å; D308-R323 IonicContact OD2-CZ 2.61Å; D308-R323 IonicContact OD2-NE 3.9Å; D308-R323 PolarHBondContact OD2-NE 2.97Å; D308-R323 IonicContact OD2-NH1 3.92Å; I310-R323 HydrophobicContact CD1-CG 4.13Å; R323-D325 VanDerWaalsContact C-N 3.26Å; R323-D325 WeakPolarHBondContact CB-OD1 3.42Å; R323-D325 IonicContact CZ-OD2 3.57Å; R323-D325 IonicContact NE-OD1 3.36Å; R323-D325 PolarHBondContact NE-OD1 2.87Å; R323-D325 IonicContact NE-OD2 3.57Å; R323-D325 PolarHBondContact NE-OD2 3.03Å; R323-D325 VanDerWaalsContact NE-OD2 3.16Å; R323-D325 IonicContact NH2-OD2 3.35Å; R323-D325 PolarHBondContact NH2-OD2 3.38Å; R323-S328 PolarHBondContact O-OG 3.27Å
324	E	79.7	Confident	88.8	Confident	99 Å²	99	45.2 Å²	45.2	46%	0.463	23%	0.234	S	C	.	.	S	Bend	trans	-89.8	7	-178.9	-62.1	178.2	-179.5	0	0	112.9	R272	R272-E324 IonicContact CZ-OE1 4Å; R272-E324 IonicContact CZ-OE2 2.76Å; R272-E324 IonicContact NE-OE1 3.14Å; R272-E324 PolarHBondContact NE-OE1 3.1Å; R272-E324 IonicContact NE-OE2 2.63Å; R272-E324 IonicContact NH1-OE1 3.54Å; R272-E324 PolarHBondContact NH1-OE1 3.46Å; R272-E324 IonicContact NH1-OE2 3.37Å; R272-E324 PolarHBondContact NH1-OE2 3.07Å; R272-E324 IonicContact NH2-OE1 2.77Å; R272-E324 PolarHBondContact NH2-OE1 3.43Å; R272-E324 IonicContact NH2-OE2 3.1Å; R272-E324 PolarHBondContact NH2-OE2 3.39Å
325	D	78.4	Confident	88.9	Confident	48 Å²	48	42 Å²	42	26%	0.257	22%	0.218	S	C	.	.	S	Bend	trans	-70.6	142.8	171.3	60.4	-19.6	0	0	0	110.7	R323 E327 S328	R323-D325 VanDerWaalsContact C-N 3.26Å; R323-D325 WeakPolarHBondContact CB-OD1 3.42Å; R323-D325 IonicContact CZ-OD2 3.57Å; R323-D325 IonicContact NE-OD1 3.36Å; R323-D325 PolarHBondContact NE-OD1 2.87Å; R323-D325 IonicContact NE-OD2 3.57Å; R323-D325 PolarHBondContact NE-OD2 3.03Å; R323-D325 VanDerWaalsContact NE-OD2 3.16Å; R323-D325 IonicContact NH2-OD2 3.35Å; R323-D325 PolarHBondContact NH2-OD2 3.38Å; D325-E327 PolarHBondContact O-N 3.34Å; D325-E327 VanDerWaalsContact O-N 3.15Å; D325-S328 PolarHBondContact O-N 3.48Å; D325-S328 PolarHBondContact O-OG 3.49Å; D325-S328 WeakPolarHBondContact OD1-CB 3.17Å
326	A	64.2	Low	89.1	Confident	69 Å²	69	37.3 Å²	37.3	57%	0.57	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-60.1	-26.9	179.7	0	0	0	0	0	112.5	S328 D329 F330	A326-S328 VanDerWaalsContact C-N 3.27Å; A326-S328 PolarHBondContact O-N 3.12Å; A326-D329 PolarHBondContact O-N 3.16Å; A326-F330 HydrophobicContact CB-CE1 4.3Å; A326-F330 HydrophobicContact CB-CZ 4.28Å; A326-F330 VanDerWaalsContact O-CD1 3.27Å; A326-F330 WeakPolarHBondContact O-CD1 3.27Å; A326-F330 WeakPolarHBondContact O-CE1 3.44Å
327	E	78	Confident	89.2	Confident	105 Å²	105	33.9 Å²	33.9	49%	0.491	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-64.7	-29.1	-177.9	-59	-163.5	153.8	0	0	113.6	D325 D329 F330	D325-E327 PolarHBondContact O-N 3.34Å; D325-E327 VanDerWaalsContact O-N 3.15Å; E327-D329 PolarHBondContact O-N 2.89Å; E327-F330 HydrophobicContact CB-CD2 4.21Å; E327-F330 HydrophobicContact CB-CE2 4.17Å; E327-F330 HydrophobicContact CG-CD2 4.38Å; E327-F330 HydrophobicContact CG-CE2 3.9Å; E327-F330 HydrophobicContact CG-CZ 4.5Å; E327-F330 WeakPolarHBondContact O-CB 3.28Å; E327-F330 PolarHBondContact O-N 2.77Å; E327-F330 VanDerWaalsContact O-N 3.11Å
328	S	77	Confident	89.1	Confident	42 Å²	42	34.4 Å²	34.4	29%	0.294	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-62.9	-25.9	-178.8	66.1	0	0	0	0	113.3	R323 D325 A326	R323-S328 PolarHBondContact O-OG 3.27Å; D325-S328 PolarHBondContact O-N 3.48Å; D325-S328 PolarHBondContact O-OG 3.49Å; D325-S328 WeakPolarHBondContact OD1-CB 3.17Å; A326-S328 VanDerWaalsContact C-N 3.27Å; A326-S328 PolarHBondContact O-N 3.12Å
329	D	86.4	Confident	88.8	Confident	50 Å²	50	41.3 Å²	41.3	27%	0.267	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-91.5	-4.2	179.6	-71.9	-42.1	0	0	0	113.4	T267 K322 A326 E327 V331	T267-D329 WeakPolarHBondContact CB-OD2 3.35Å; T267-D329 PolarHBondContact OG1-OD2 2.93Å; K322-D329 IonicContact NZ-OD1 2.83Å; K322-D329 PolarHBondContact NZ-OD1 3.01Å; K322-D329 IonicContact NZ-OD2 3.57Å; K322-D329 PolarHBondContact NZ-OD2 2.84Å; A326-D329 PolarHBondContact O-N 3.16Å; E327-D329 PolarHBondContact O-N 2.89Å; D329-V331 PolarHBondContact O-N 3.15Å
330	F	91.8	Very high	88.6	Confident	61 Å²	61	41.7 Å²	41.7	27%	0.268	23%	0.226	S	C	.	.			trans	-69.4	136.6	-174.2	-69.3	-10.2	0	0	0	113.2	A326 E327 S332 A355 L356 T359	A326-F330 HydrophobicContact CB-CE1 4.3Å; A326-F330 HydrophobicContact CB-CZ 4.28Å; A326-F330 VanDerWaalsContact O-CD1 3.27Å; A326-F330 WeakPolarHBondContact O-CD1 3.27Å; A326-F330 WeakPolarHBondContact O-CE1 3.44Å; E327-F330 HydrophobicContact CB-CD2 4.21Å; E327-F330 HydrophobicContact CB-CE2 4.17Å; E327-F330 HydrophobicContact CG-CD2 4.38Å; E327-F330 HydrophobicContact CG-CE2 3.9Å; E327-F330 HydrophobicContact CG-CZ 4.5Å; E327-F330 WeakPolarHBondContact O-CB 3.28Å; E327-F330 PolarHBondContact O-N 2.77Å; E327-F330 VanDerWaalsContact O-N 3.11Å; F330-S332 PolarHBondContact O-N 3.11Å; F330-A355 HydrophobicContact CB-CB 3.95Å; F330-A355 HydrophobicContact CD2-CB 4.37Å; F330-A355 HydrophobicContact CG-CB 4.45Å; F330-L356 HydrophobicContact CD1-CD2 4.43Å; F330-L356 HydrophobicContact CE1-CD2 3.59Å; F330-L356 HydrophobicContact CE2-CD2 3.72Å; F330-L356 HydrophobicContact CE2-CG 3.97Å; F330-L356 HydrophobicContact CZ-CD2 3.18Å; F330-L356 HydrophobicContact CZ-CG 3.97Å; F330-T359 WeakPolarHBondContact CA-OG1 3.43Å
331	V	94.1	Very high	88.3	Confident	16 Å²	16	42.3 Å²	42.3	10%	0.097	23%	0.231	C	C	.	.			trans	-83.8	113.3	179.2	178.8	0	0	0	0	110.1	D329 A355 A358 T359 K493 W497	D329-V331 PolarHBondContact O-N 3.15Å; V331-A355 WeakPolarHBondContact O-CA 3.4Å; V331-A358 HydrophobicContact CB-CB 4.09Å; V331-A358 HydrophobicContact CG1-CB 4.17Å; V331-T359 PolarHBondContact N-OG1 3.22Å; V331-K493 HydrophobicContact CG1-CD 3.23Å; V331-K493 HydrophobicContact CG1-CG 4.18Å; V331-W497 HydrophobicContact CG1-CH2 4.4Å; V331-W497 HydrophobicContact CG1-CZ2 3.77Å
332	S	94.7	Very high	88	Confident	23 Å²	23	48.1 Å²	48.1	16%	0.161	26%	0.261	C	S	.	.			trans	-64.3	148.4	179.5	75.6	0	0	0	0	113.4	F330 E335 K493	F330-S332 PolarHBondContact O-N 3.11Å; S332-E335 WeakPolarHBondContact CB-OE2 3.37Å; S332-E335 PolarHBondContact OG-OE2 3.22Å; S332-K493 VanDerWaalsContact O-CD 3.31Å; S332-K493 WeakPolarHBondContact O-CD 3.47Å; S332-K493 VanDerWaalsContact O-CE 3.32Å; S332-K493 WeakPolarHBondContact O-CE 3.39Å; S332-K493 PolarHBondContact O-NZ 3.44Å
333	V	95.8	Very high	87.9	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.024	27%	0.27	C	S	.	.	S	Bend	trans	-125	123.2	-179.5	-176.5	0	0	0	0	110.5	E335 L354 A358 N459 F461	V333-E335 PolarHBondContact O-N 3.08Å; V333-E335 VanDerWaalsContact O-N 3.09Å; V333-L354 HydrophobicContact CB-CB 4.01Å; V333-L354 HydrophobicContact CG1-CB 4.4Å; V333-L354 HydrophobicContact CG1-CD1 4.4Å; V333-L354 HydrophobicContact CG2-CB 4.03Å; V333-L354 WeakPolarHBondContact CG2-O 3.24Å; V333-A358 HydrophobicContact CG2-CB 3.51Å; V333-N459 WeakPolarHBondContact CG2-ND2 3.36Å; V333-F461 HydrophobicContact CG1-CD1 3.8Å; V333-F461 HydrophobicContact CG1-CE1 3.82Å
334	C	95.7	Very high	88	Confident	9 Å²	9	53.9 Å²	53.9	6%	0.061	29%	0.291	C	S	.	.	S	Bend	trans	53.4	28.3	179.3	-67	0	0	0	0	114.6	T336 A337 P341 C466 N489 N490	C334-T336 VanDerWaalsContact C-N 3.25Å; C334-T336 PolarHBondContact O-N 2.97Å; C334-A337 HydrophobicContact CB-CB 4.17Å; C334-A337 VanDerWaalsContact O-CB 3.27Å; C334-A337 WeakPolarHBondContact O-CB 3.14Å; C334-A337 PolarHBondContact O-N 3.48Å; C334-A337 VanDerWaalsContact O-N 3.14Å; C334-P341 HydrophobicContact CB-CG 4.16Å; C334-C466 HydrophobicContact CB-CB 4.01Å; C334-N489 CarbonylContact C-O 3.51Å; C334-N489 VanDerWaalsContact CA-O 3.23Å; C334-N489 WeakPolarHBondContact CA-O 3.39Å; C334-N490 PolarHBondContact N-OD1 3.13Å
335	E	94.6	Very high	88.1	Confident	5 Å²	5	54.7 Å²	54.7	2%	0.023	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-39.6	-178.2	173.6	-179.9	175.9	0	0	113	V304 Y305 S332 V333 N489	V304-E335 HydrophobicContact CB-CG 3.8Å; V304-E335 HydrophobicContact CG2-CG 4.36Å; V304-E335 PolarHBondContact N-OE1 2.97Å; Y305-E335 HydrophobicContact CD1-CG 4.27Å; Y305-E335 HydrophobicContact CD2-CB 3.82Å; Y305-E335 HydrophobicContact CD2-CG 3.5Å; Y305-E335 HydrophobicContact CE1-CG 4.47Å; Y305-E335 HydrophobicContact CE2-CB 3.58Å; Y305-E335 HydrophobicContact CE2-CG 3.73Å; Y305-E335 HydrophobicContact CG-CG 3.79Å; Y305-E335 PolarHBondContact N-OE1 3.43Å; S332-E335 WeakPolarHBondContact CB-OE2 3.37Å; S332-E335 PolarHBondContact OG-OE2 3.22Å; V333-E335 PolarHBondContact O-N 3.08Å; V333-E335 VanDerWaalsContact O-N 3.09Å; E335-N489 PolarHBondContact N-O 3.15Å
336	T	94.7	Very high	88.4	Confident	26 Å²	26	54.5 Å²	54.5	16%	0.16	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	10.6	-175	65.9	0	0	0	0	113.2	R302 V304 C334 K488 N489 N490 A491	R302-T336 WeakPolarHBondContact O-CG2 3.45Å; V304-T336 HydrophobicContact CG2-CG2 4.06Å; C334-T336 VanDerWaalsContact C-N 3.25Å; C334-T336 PolarHBondContact O-N 2.97Å; T336-K488 CarbonylContact C-O 3.58Å; T336-K488 PolarHBondContact OG1-O 2.86Å; T336-N489 PolarHBondContact N-O 3.2Å; T336-N489 PolarHBondContact OG1-O 2.9Å; T336-N489 VanDerWaalsContact OG1-O 3.06Å; T336-N490 PolarHBondContact OG1-N 3.16Å; T336-A491 HydrophobicContact CG2-CB 4.02Å; T336-A491 WeakPolarHBondContact OG1-CB 3.41Å; T336-A491 PolarHBondContact OG1-N 2.88Å
337	A	94	Very high	89.7	Confident	8 Å²	8	54.8 Å²	54.8	7%	0.066	30%	0.303	C	S	.	.	S	Bend	trans	-61.4	157.7	172.7	0	0	0	0	0	111.1	C334 E339 P340 C466 N489	C334-A337 HydrophobicContact CB-CB 4.17Å; C334-A337 VanDerWaalsContact O-CB 3.27Å; C334-A337 WeakPolarHBondContact O-CB 3.14Å; C334-A337 PolarHBondContact O-N 3.48Å; C334-A337 VanDerWaalsContact O-N 3.14Å; A337-E339 PolarHBondContact O-N 3.1Å; A337-P340 WeakPolarHBondContact O-CD 3.41Å; A337-C466 HydrophobicContact CB-CB 3.85Å; A337-N489 HydrophobicContact CB-CB 4.28Å; A337-N489 PolarHBondContact N-O 3.48Å
338	T	90.9	Very high	90.4	Very high	71 Å²	71	51.9 Å²	51.9	44%	0.436	29%	0.291	S	S	.	.	S	Bend	trans	-57.1	-39.9	175.5	-48.1	0	0	0	0	111.1	M152	M152-T338 HydrophobicContact CE-CG2 4.39Å
339	E	89.9	Confident	91.2	Very high	146 Å²	146	50.2 Å²	50.2	68%	0.682	28%	0.279	S	S	*	.	S	Bend	trans	-127.6	92	176.7	-67.3	178.1	176.4	0	0	106.6	A337 C466	A337-E339 PolarHBondContact O-N 3.1Å; E339-C466 PolarHBondContact O-SG 3.34Å; E339-C466 VanDerWaalsContact O-SG 3.32Å
340	P	91.4	Very high	91.4	Very high	20 Å²	20	48 Å²	48	13%	0.13	27%	0.267	C	S	.	.			trans	-64.7	160.2	175.1	-21.1	34.1	0	0	0	111.2	A337 N342	A337-P340 WeakPolarHBondContact O-CD 3.41Å; P340-N342 PolarHBondContact O-N 3.47Å
341	P	91.2	Very high	91.5	Very high	15 Å²	15	46.8 Å²	46.8	10%	0.097	27%	0.265	C	S	.	.			trans	-52.8	133.9	173.6	-23.4	33.5	0	0	0	111.1	C334 P351 L354	C334-P341 HydrophobicContact CB-CG 4.16Å; P341-P351 HydrophobicContact CB-CG 4.3Å; P341-P351 WeakPolarHBondContact O-CG 3.25Å; P341-L354 HydrophobicContact CB-CD1 3.92Å; P341-L354 HydrophobicContact CG-CD1 3.8Å
342	N	88.9	Confident	91.3	Very high	131 Å²	131	50.6 Å²	50.6	70%	0.701	28%	0.282	S	S	*	.			trans	-141.3	21.2	-174.8	69.8	-36.3	0	0	0	112.8	P340	P340-N342 PolarHBondContact O-N 3.47Å
343	E	89.2	Confident	91.3	Very high	57 Å²	57	54.1 Å²	54.1	27%	0.266	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-66.3	155.7	177.7	-57.6	-64.8	170.4	0	0	111.7	H347 N349 Y465	E343-H347 HydrophobicContact CB-CB 3.84Å; E343-N349 HydrophobicContact CG-CB 4.1Å; E343-Y465 WeakPolarHBondContact OE1-CE1 3.35Å
344	E	87.2	Confident	91.3	Very high	126 Å²	126	54 Å²	54	59%	0.589	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-63.2	147.3	-179.1	-65.1	-176.2	174.5	0	0	111.6	G346 H347	E344-G346 PolarHBondContact O-N 3.49Å; E344-H347 WeakPolarHBondContact O-CB 3.49Å; E344-H347 PolarHBondContact O-N 3.35Å
345	P	82.2	Confident	91.3	Very high	117 Å²	117	54.1 Å²	54.1	76%	0.76	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	124	170.6	-24.4	34	0	0	0	110.3
346	G	84.8	Confident	91.2	Very high	44 Å²	44	57.5 Å²	57.5	45%	0.454	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.8	-19.1	-174.5	0	0	0	0	0	114.8	E344 R353	E344-G346 PolarHBondContact O-N 3.49Å; G346-R353 PolarHBondContact O-NH1 3.27Å; G346-R353 PolarHBondContact O-NH2 3.22Å
347	H	90.8	Very high	91.3	Very high	74 Å²	74	57 Å²	57	34%	0.343	31%	0.306	S	S	.	.	S	Bend	trans	-72.5	141.9	170.4	-170.4	-94.5	0	0	0	110.6	E343 E344 N349 S350 R353	E343-H347 HydrophobicContact CB-CB 3.84Å; E344-H347 WeakPolarHBondContact O-CB 3.49Å; E344-H347 PolarHBondContact O-N 3.35Å; H347-N349 PolarHBondContact ND1-N 3.43Å; H347-N349 VanDerWaalsContact ND1-N 3.1Å; H347-N349 PolarHBondContact O-N 3.45Å; H347-S350 WeakPolarHBondContact O-CB 3.48Å; H347-S350 PolarHBondContact O-N 3.09Å; H347-S350 PolarHBondContact O-OG 3.01Å; H347-R353 WeakPolarHBondContact O-CD 3.4Å
348	I	92.4	Very high	91.4	Very high	44 Å²	44	56.7 Å²	56.7	23%	0.226	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.9	-179.1	61.5	169.4	0	0	0	114.3	R516 R520	I348-R516 PolarHBondContact O-NH2 3.11Å; I348-R520 VanDerWaalsContact CD1-O 3.31Å; I348-R520 WeakPolarHBondContact CD1-O 3.28Å
349	N	94.1	Very high	91.6	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.043	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	18.7	177.6	-57	-23.9	0	0	0	112.3	E343 H347 L354 R516	E343-N349 HydrophobicContact CG-CB 4.1Å; H347-N349 PolarHBondContact ND1-N 3.43Å; H347-N349 VanDerWaalsContact ND1-N 3.1Å; H347-N349 PolarHBondContact O-N 3.45Å; N349-L354 HydrophobicContact CB-CD1 4.36Å; N349-L354 WeakPolarHBondContact O-CD1 3.41Å; N349-R516 PolarHBondContact OD1-NH1 3.13Å; N349-R516 PolarHBondContact OD1-NH2 2.9Å
350	S	92.3	Very high	91.8	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.014	27%	0.274	C	S	.	.	S	Bend	trans	-64.6	149.8	168.2	77.1	0	0	0	0	109.8	H347 Q352 R353 L354	H347-S350 WeakPolarHBondContact O-CB 3.48Å; H347-S350 PolarHBondContact O-N 3.09Å; H347-S350 PolarHBondContact O-OG 3.01Å; S350-Q352 PolarHBondContact O-N 2.89Å; S350-R353 PolarHBondContact O-N 3.08Å; S350-R353 PolarHBondContact OG-N 3.35Å; S350-L354 WeakPolarHBondContact O-CB 3.37Å; S350-L354 WeakPolarHBondContact O-CG 3.43Å; S350-L354 PolarHBondContact O-N 3.1Å
351	P	92.3	Very high	92.1	Very high	36 Å²	36	50.3 Å²	50.3	23%	0.234	27%	0.268	C	S	.	.	H	α-helix	trans	-52.7	-41.3	179.2	-27.7	35.2	0	0	0	113.5	P341 A355	P341-P351 HydrophobicContact CB-CG 4.3Å; P341-P351 WeakPolarHBondContact O-CG 3.25Å; P351-A355 VanDerWaalsContact O-CB 3.32Å; P351-A355 WeakPolarHBondContact O-CB 3.32Å; P351-A355 PolarHBondContact O-N 3.18Å
352	Q	91.4	Very high	92.3	Very high	96 Å²	96	50.3 Å²	50.3	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-49.3	179.3	-63.8	83.4	-4.9	0	0	111.6	S350 L354 A355 L356	S350-Q352 PolarHBondContact O-N 2.89Å; Q352-L354 PolarHBondContact O-N 2.84Å; Q352-A355 PolarHBondContact O-N 2.71Å; Q352-L356 PolarHBondContact O-N 2.86Å
353	R	94	Very high	92.6	Very high	98 Å²	98	46.3 Å²	46.3	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-65.7	-38.5	179.3	-74.6	-160	179.1	-179.8	2.2	112.5	G346 H347 S350 A355 E357	G346-R353 PolarHBondContact O-NH1 3.27Å; G346-R353 PolarHBondContact O-NH2 3.22Å; H347-R353 WeakPolarHBondContact O-CD 3.4Å; S350-R353 PolarHBondContact O-N 3.08Å; S350-R353 PolarHBondContact OG-N 3.35Å; R353-A355 VanDerWaalsContact C-N 3.31Å; R353-A355 PolarHBondContact O-N 2.98Å; R353-E357 WeakPolarHBondContact O-CB 3.48Å; R353-E357 PolarHBondContact O-N 2.69Å
354	L	95.9	Very high	92.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-36	174.7	-70.4	176	0	0	0	111.9	V333 P341 N349 S350 Q352 A358 F461	V333-L354 HydrophobicContact CB-CB 4.01Å; V333-L354 HydrophobicContact CG1-CB 4.4Å; V333-L354 HydrophobicContact CG1-CD1 4.4Å; V333-L354 HydrophobicContact CG2-CB 4.03Å; V333-L354 WeakPolarHBondContact CG2-O 3.24Å; P341-L354 HydrophobicContact CB-CD1 3.92Å; P341-L354 HydrophobicContact CG-CD1 3.8Å; N349-L354 HydrophobicContact CB-CD1 4.36Å; N349-L354 WeakPolarHBondContact O-CD1 3.41Å; S350-L354 WeakPolarHBondContact O-CB 3.37Å; S350-L354 WeakPolarHBondContact O-CG 3.43Å; S350-L354 PolarHBondContact O-N 3.1Å; Q352-L354 PolarHBondContact O-N 2.84Å; L354-A358 VanDerWaalsContact O-CB 3.23Å; L354-A358 WeakPolarHBondContact O-CB 3.38Å; L354-A358 PolarHBondContact O-N 3.5Å; L354-F461 HydrophobicContact CD1-CD1 4.42Å; L354-F461 HydrophobicContact CD1-CD2 4.39Å; L354-F461 HydrophobicContact CD1-CE1 4.38Å; L354-F461 HydrophobicContact CD1-CE2 4.36Å; L354-F461 HydrophobicContact CD1-CG 4.44Å; L354-F461 HydrophobicContact CD1-CZ 4.35Å; L354-F461 HydrophobicContact CD2-CB 3.69Å; L354-F461 HydrophobicContact CD2-CD1 4.15Å; L354-F461 HydrophobicContact CD2-CD2 4.01Å; L354-F461 HydrophobicContact CD2-CG 3.68Å
355	A	95.1	Very high	93.3	Very high	12 Å²	12	37.9 Å²	37.9	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-71.6	-41	179	0	0	0	0	0	112	F330 V331 P351 Q352 R353 A358 T359	F330-A355 HydrophobicContact CB-CB 3.95Å; F330-A355 HydrophobicContact CD2-CB 4.37Å; F330-A355 HydrophobicContact CG-CB 4.45Å; V331-A355 WeakPolarHBondContact O-CA 3.4Å; P351-A355 VanDerWaalsContact O-CB 3.32Å; P351-A355 WeakPolarHBondContact O-CB 3.32Å; P351-A355 PolarHBondContact O-N 3.18Å; Q352-A355 PolarHBondContact O-N 2.71Å; R353-A355 VanDerWaalsContact C-N 3.31Å; R353-A355 PolarHBondContact O-N 2.98Å; A355-A358 PolarHBondContact O-N 3.45Å; A355-T359 WeakPolarHBondContact O-CB 3.32Å; A355-T359 PolarHBondContact O-N 3Å; A355-T359 PolarHBondContact O-OG1 2.89Å
356	L	93.6	Very high	93.9	Very high	76 Å²	76	32.5 Å²	32.5	40%	0.398	17%	0.173	S	C	.	.	H	α-helix	trans	-57.2	-52.1	170.1	-77.7	168.2	0	0	0	111.5	F330 Q352 A358 T359 F360	F330-L356 HydrophobicContact CD1-CD2 4.43Å; F330-L356 HydrophobicContact CE1-CD2 3.59Å; F330-L356 HydrophobicContact CE2-CD2 3.72Å; F330-L356 HydrophobicContact CE2-CG 3.97Å; F330-L356 HydrophobicContact CZ-CD2 3.18Å; F330-L356 HydrophobicContact CZ-CG 3.97Å; Q352-L356 PolarHBondContact O-N 2.86Å; L356-A358 PolarHBondContact O-N 2.84Å; L356-T359 PolarHBondContact O-N 2.96Å; L356-F360 WeakPolarHBondContact O-CB 3.25Å; L356-F360 PolarHBondContact O-N 3.01Å
357	E	95.6	Very high	94.4	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-45.7	177.9	179.8	-170.8	-166	0	0	111.8	R353 T359 F360 I361 R516 H525	R353-E357 WeakPolarHBondContact O-CB 3.48Å; R353-E357 PolarHBondContact O-N 2.69Å; E357-T359 VanDerWaalsContact C-N 3.3Å; E357-T359 PolarHBondContact O-N 2.89Å; E357-F360 PolarHBondContact O-N 2.99Å; E357-I361 HydrophobicContact CG-CD1 3.81Å; E357-I361 HydrophobicContact CG-CG1 4.41Å; E357-I361 WeakPolarHBondContact O-CB 3.4Å; E357-I361 VanDerWaalsContact O-CG1 3.23Å; E357-I361 WeakPolarHBondContact O-CG1 3.35Å; E357-I361 PolarHBondContact O-N 2.97Å; E357-R516 WeakPolarHBondContact OE1-CG 3.46Å; E357-R516 IonicContact OE1-CZ 2.92Å; E357-R516 IonicContact OE1-NE 3.05Å; E357-R516 PolarHBondContact OE1-NE 2.97Å; E357-R516 IonicContact OE1-NH2 3.34Å; E357-R516 IonicContact OE2-CZ 2.75Å; E357-R516 IonicContact OE2-NE 2.79Å; E357-R516 PolarHBondContact OE2-NE 3.41Å; E357-R516 IonicContact OE2-NH2 3.47Å; E357-R516 PolarHBondContact OE2-NH2 2.87Å; E357-H525 IonicContact OE1-CD2 2.66Å; E357-H525 IonicContact OE1-CE1 2.85Å; E357-H525 IonicContact OE1-NE2 2.8Å; E357-H525 PolarHBondContact OE1-NE2 2.77Å
358	A	96.7	Very high	94.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-37.8	179.6	0	0	0	0	0	112.3	V331 V333 L354 A355 L356 N362	V331-A358 HydrophobicContact CB-CB 4.09Å; V331-A358 HydrophobicContact CG1-CB 4.17Å; V333-A358 HydrophobicContact CG2-CB 3.51Å; L354-A358 VanDerWaalsContact O-CB 3.23Å; L354-A358 WeakPolarHBondContact O-CB 3.38Å; L354-A358 PolarHBondContact O-N 3.5Å; A355-A358 PolarHBondContact O-N 3.45Å; L356-A358 PolarHBondContact O-N 2.84Å; A358-N362 VanDerWaalsContact O-CB 3.28Å; A358-N362 WeakPolarHBondContact O-CB 3.36Å; A358-N362 PolarHBondContact O-N 2.84Å
359	T	95.1	Very high	94.7	Very high	27 Å²	27	25.4 Å²	25.4	17%	0.166	13%	0.127	C	C	.	.	H	α-helix	trans	-67.4	-46.6	177.1	-52.1	0	0	0	0	110.3	F330 V331 A355 L356 E357 I361 N362 T363	F330-T359 WeakPolarHBondContact CA-OG1 3.43Å; V331-T359 PolarHBondContact N-OG1 3.22Å; A355-T359 WeakPolarHBondContact O-CB 3.32Å; A355-T359 PolarHBondContact O-N 3Å; A355-T359 PolarHBondContact O-OG1 2.89Å; L356-T359 PolarHBondContact O-N 2.96Å; E357-T359 VanDerWaalsContact C-N 3.3Å; E357-T359 PolarHBondContact O-N 2.89Å; T359-I361 PolarHBondContact O-N 3.1Å; T359-N362 PolarHBondContact O-N 3.29Å; T359-T363 PolarHBondContact O-N 2.94Å; T359-T363 PolarHBondContact O-OG1 3.37Å
360	F	94.3	Very high	94.8	Very high	76 Å²	76	25.2 Å²	25.2	33%	0.333	13%	0.127	S	C	.	.	H	α-helix	trans	-56.4	-48.3	173.2	174.9	-98.3	0	0	0	112.1	R260 L356 E357 N362 T363 N364	R260-F360 HydrophobicContact CB-CZ 4.4Å; R260-F360 HydrophobicContact CG-CE2 4.33Å; R260-F360 HydrophobicContact CG-CZ 4.27Å; L356-F360 WeakPolarHBondContact O-CB 3.25Å; L356-F360 PolarHBondContact O-N 3.01Å; E357-F360 PolarHBondContact O-N 2.99Å; F360-N362 VanDerWaalsContact C-N 3.33Å; F360-N362 PolarHBondContact O-N 3.44Å; F360-T363 PolarHBondContact O-N 3.28Å; F360-N364 WeakPolarHBondContact CD1-ND2 3.1Å; F360-N364 VanDerWaalsContact CD2-ND2 3.31Å; F360-N364 WeakPolarHBondContact CD2-ND2 3.48Å; F360-N364 WeakPolarHBondContact CE1-ND2 3.07Å; F360-N364 WeakPolarHBondContact CE2-ND2 3.38Å; F360-N364 WeakPolarHBondContact CG-ND2 3.36Å; F360-N364 WeakPolarHBondContact CZ-ND2 3.45Å; F360-N364 WeakPolarHBondContact O-CB 3.45Å; F360-N364 PolarHBondContact O-N 2.94Å; F360-N364 PolarHBondContact O-ND2 3.42Å
361	I	96.8	Very high	94.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-45.7	176.8	-70.2	166.3	0	0	0	110.7	L258 E357 T359 L365 A457 N459 V514	L258-I361 HydrophobicContact CD2-CB 4.34Å; L258-I361 HydrophobicContact CD2-CG1 4.07Å; L258-I361 HydrophobicContact CD2-CG2 4.24Å; E357-I361 HydrophobicContact CG-CD1 3.81Å; E357-I361 HydrophobicContact CG-CG1 4.41Å; E357-I361 WeakPolarHBondContact O-CB 3.4Å; E357-I361 VanDerWaalsContact O-CG1 3.23Å; E357-I361 WeakPolarHBondContact O-CG1 3.35Å; E357-I361 PolarHBondContact O-N 2.97Å; T359-I361 PolarHBondContact O-N 3.1Å; I361-L365 WeakPolarHBondContact O-CB 3.42Å; I361-L365 PolarHBondContact O-N 2.83Å; I361-A457 HydrophobicContact CG2-CB 3.75Å; I361-N459 HydrophobicContact CD1-CB 3.84Å; I361-V514 HydrophobicContact CD1-CG1 4.36Å; I361-V514 HydrophobicContact CG1-CG1 4.44Å; I361-V514 HydrophobicContact CG2-CB 3.7Å; I361-V514 HydrophobicContact CG2-CG1 3.68Å; I361-V514 HydrophobicContact CG2-CG2 3.79Å
362	N	95.8	Very high	94.5	Very high	14 Å²	14	30.7 Å²	30.7	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-44.1	-177.2	-172.3	73.7	0	0	0	112	A358 T359 F360 S366 R456 A457	A358-N362 VanDerWaalsContact O-CB 3.28Å; A358-N362 WeakPolarHBondContact O-CB 3.36Å; A358-N362 PolarHBondContact O-N 2.84Å; T359-N362 PolarHBondContact O-N 3.29Å; F360-N362 VanDerWaalsContact C-N 3.33Å; F360-N362 PolarHBondContact O-N 3.44Å; N362-S366 WeakPolarHBondContact O-CB 3.39Å; N362-S366 PolarHBondContact O-N 2.93Å; N362-S366 VanDerWaalsContact O-N 3.08Å; N362-R456 WeakPolarHBondContact OD1-CA 3.4Å; N362-A457 HydrophobicContact CB-CB 4.19Å; N362-A457 PolarHBondContact OD1-N 2.72Å
363	T	94	Very high	93.9	Very high	48 Å²	48	29.9 Å²	29.9	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-60.1	-53.2	175.9	-67.4	0	0	0	0	111.2	L265 T359 F360 L365 S366 Q367	L265-T363 HydrophobicContact CD1-CG2 3.61Å; L265-T363 HydrophobicContact CG-CG2 4.48Å; T359-T363 PolarHBondContact O-N 2.94Å; T359-T363 PolarHBondContact O-OG1 3.37Å; F360-T363 PolarHBondContact O-N 3.28Å; T363-L365 PolarHBondContact O-N 2.97Å; T363-S366 PolarHBondContact O-N 2.86Å; T363-S366 PolarHBondContact O-OG 3.04Å; T363-Q367 PolarHBondContact O-N 3.47Å
364	N	95.6	Very high	93.2	Very high	5 Å²	5	27 Å²	27	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-45.8	-178.6	-72.4	-52.4	0	0	0	112.5	L258 V261 F360 S366 Q367 Q368	L258-N364 HydrophobicContact CD1-CB 4.39Å; L258-N364 HydrophobicContact CD2-CB 4.37Å; L258-N364 HydrophobicContact CG-CB 4.39Å; V261-N364 PolarHBondContact N-OD1 2.88Å; F360-N364 WeakPolarHBondContact CD1-ND2 3.1Å; F360-N364 VanDerWaalsContact CD2-ND2 3.31Å; F360-N364 WeakPolarHBondContact CD2-ND2 3.48Å; F360-N364 WeakPolarHBondContact CE1-ND2 3.07Å; F360-N364 WeakPolarHBondContact CE2-ND2 3.38Å; F360-N364 WeakPolarHBondContact CG-ND2 3.36Å; F360-N364 WeakPolarHBondContact CZ-ND2 3.45Å; F360-N364 WeakPolarHBondContact O-CB 3.45Å; F360-N364 PolarHBondContact O-N 2.94Å; F360-N364 PolarHBondContact O-ND2 3.42Å; N364-S366 VanDerWaalsContact C-N 3.29Å; N364-S366 PolarHBondContact O-N 3.09Å; N364-Q367 PolarHBondContact O-N 2.69Å; N364-Q368 VanDerWaalsContact O-CB 3.25Å; N364-Q368 WeakPolarHBondContact O-CB 3.35Å; N364-Q368 PolarHBondContact O-N 2.91Å
365	L	96.2	Very high	92.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-40.5	-179.3	-173.3	79.6	0	0	0	111.4	L258 I361 T363 Q367 Q368 M369 A457 V514 I527	L258-L365 HydrophobicContact CD1-CB 4.06Å; L258-L365 HydrophobicContact CD1-CD1 3.94Å; I361-L365 WeakPolarHBondContact O-CB 3.42Å; I361-L365 PolarHBondContact O-N 2.83Å; T363-L365 PolarHBondContact O-N 2.97Å; L365-Q367 PolarHBondContact O-N 2.89Å; L365-Q368 PolarHBondContact O-N 3.49Å; L365-M369 HydrophobicContact CD1-CG 4.03Å; L365-M369 HydrophobicContact CD1-SD 3.76Å; L365-M369 HydrophobicContact CD2-SD 3.81Å; L365-M369 HydrophobicContact CG-CG 4.13Å; L365-M369 HydrophobicContact CG-SD 3.59Å; L365-M369 VanDerWaalsContact CG-SD 3.59Å; L365-M369 WeakPolarHBondContact O-CB 3.43Å; L365-M369 WeakPolarHBondContact O-CG 3.41Å; L365-M369 PolarHBondContact O-N 3.06Å; L365-M369 VanDerWaalsContact O-N 3.11Å; L365-A457 HydrophobicContact CB-CB 4.08Å; L365-A457 HydrophobicContact CD2-CB 3.39Å; L365-A457 HydrophobicContact CG-CB 4.35Å; L365-V514 HydrophobicContact CD1-CG2 3.96Å; L365-V514 HydrophobicContact CD2-CG2 4.16Å; L365-I527 HydrophobicContact CD1-CD1 3.58Å; L365-I527 HydrophobicContact CD1-CG1 3.81Å; L365-I527 HydrophobicContact CD1-CG2 4.45Å
366	S	95.2	Very high	92.4	Very high	3 Å²	3	38 Å²	38	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-34.1	-178.8	76.1	0	0	0	0	112.7	N362 T363 N364 L370	N362-S366 WeakPolarHBondContact O-CB 3.39Å; N362-S366 PolarHBondContact O-N 2.93Å; N362-S366 VanDerWaalsContact O-N 3.08Å; T363-S366 PolarHBondContact O-N 2.86Å; T363-S366 PolarHBondContact O-OG 3.04Å; N364-S366 VanDerWaalsContact C-N 3.29Å; N364-S366 PolarHBondContact O-N 3.09Å; S366-L370 WeakPolarHBondContact O-CD1 3.32Å; S366-L370 WeakPolarHBondContact O-CG 3.37Å
367	Q	95	Very high	92.4	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-89	-42.4	179.1	-56.8	-56.3	-56.9	0	0	111.7	V261 T363 N364 L365 M369 L370 S413	V261-Q367 HydrophobicContact CB-CB 4.13Å; V261-Q367 HydrophobicContact CG1-CB 3.8Å; V261-Q367 HydrophobicContact CG1-CG 4.47Å; V261-Q367 HydrophobicContact CG2-CB 4.31Å; T363-Q367 PolarHBondContact O-N 3.47Å; N364-Q367 PolarHBondContact O-N 2.69Å; L365-Q367 PolarHBondContact O-N 2.89Å; Q367-M369 VanDerWaalsContact C-N 3.25Å; Q367-M369 PolarHBondContact O-N 3.28Å; Q367-L370 WeakPolarHBondContact O-CB 3.48Å; Q367-L370 PolarHBondContact O-N 3.46Å; Q367-L370 VanDerWaalsContact O-N 3.08Å; Q367-S413 PolarHBondContact NE2-O 3.46Å
368	Q	95.1	Very high	92.2	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.051	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-29.1	-177.8	175.6	175.9	-0.3	0	0	113.5	Y247 P257 V259 V261 N364 L365 L370	Y247-Q368 HydrophobicContact CE1-CG 4.47Å; Y247-Q368 VanDerWaalsContact CE2-O 3.24Å; Y247-Q368 WeakPolarHBondContact CE2-O 3.47Å; Y247-Q368 VanDerWaalsContact CZ-O 3.27Å; Y247-Q368 WeakPolarHBondContact OH-CG 3.34Å; Y247-Q368 PolarHBondContact OH-NE2 3.21Å; Y247-Q368 PolarHBondContact OH-O 3.32Å; P257-Q368 PolarHBondContact O-NE2 3.47Å; V259-Q368 PolarHBondContact O-OE1 3.44Å; V261-Q368 HydrophobicContact CG2-CB 4.14Å; N364-Q368 VanDerWaalsContact O-CB 3.25Å; N364-Q368 WeakPolarHBondContact O-CB 3.35Å; N364-Q368 PolarHBondContact O-N 2.91Å; L365-Q368 PolarHBondContact O-N 3.49Å; Q368-L370 PolarHBondContact O-N 3.14Å
369	M	94.8	Very high	92.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.5	178	-74.1	-178.1	59	0	0	113.9	Y243 D244 Y247 L365 Q367 I455 T530	Y243-M369 WeakPolarHBondContact CD2-O 3.32Å; Y243-M369 HydrophobicContact CE2-CB 4.16Å; Y243-M369 HydrophobicContact CE2-CE 3.54Å; D244-M369 PolarHBondContact N-O 2.69Å; Y247-M369 HydrophobicContact CD1-CG 4.1Å; Y247-M369 HydrophobicContact CD2-CB 4.47Å; Y247-M369 HydrophobicContact CD2-CG 4.41Å; Y247-M369 HydrophobicContact CE1-CG 4.41Å; Y247-M369 HydrophobicContact CG-CG 4.1Å; L365-M369 HydrophobicContact CD1-CG 4.03Å; L365-M369 HydrophobicContact CD1-SD 3.76Å; L365-M369 HydrophobicContact CD2-SD 3.81Å; L365-M369 HydrophobicContact CG-CG 4.13Å; L365-M369 HydrophobicContact CG-SD 3.59Å; L365-M369 VanDerWaalsContact CG-SD 3.59Å; L365-M369 WeakPolarHBondContact O-CB 3.43Å; L365-M369 WeakPolarHBondContact O-CG 3.41Å; L365-M369 PolarHBondContact O-N 3.06Å; L365-M369 VanDerWaalsContact O-N 3.11Å; Q367-M369 VanDerWaalsContact C-N 3.25Å; Q367-M369 PolarHBondContact O-N 3.28Å; M369-I455 HydrophobicContact CB-CD1 4.06Å; M369-I455 HydrophobicContact CB-CG2 4.43Å; M369-I455 HydrophobicContact CE-CG2 4.15Å; M369-I455 HydrophobicContact SD-CG2 3.72Å; M369-T530 HydrophobicContact CE-CG2 3.6Å; M369-T530 HydrophobicContact SD-CG2 4.18Å
370	L	95.1	Very high	92	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-101.9	160.4	178.4	-54.7	174.3	0	0	0	110.9	E241 S366 Q367 Q368 M372 S413 I455	E241-L370 HydrophobicContact CB-CB 3.85Å; E241-L370 HydrophobicContact CB-CD1 4.17Å; E241-L370 HydrophobicContact CB-CG 4.49Å; S366-L370 WeakPolarHBondContact O-CD1 3.32Å; S366-L370 WeakPolarHBondContact O-CG 3.37Å; Q367-L370 WeakPolarHBondContact O-CB 3.48Å; Q367-L370 PolarHBondContact O-N 3.46Å; Q367-L370 VanDerWaalsContact O-N 3.08Å; Q368-L370 PolarHBondContact O-N 3.14Å; L370-M372 VanDerWaalsContact C-N 3.31Å; L370-M372 PolarHBondContact O-N 2.97Å; L370-S413 VanDerWaalsContact CD1-CB 3.44Å; L370-S413 VanDerWaalsContact CD1-OG 3.31Å; L370-S413 WeakPolarHBondContact CD1-OG 3.48Å; L370-I455 HydrophobicContact CD2-CD1 3.68Å; L370-I455 HydrophobicContact CG-CD1 4.3Å
371	L	92.7	Very high	91.9	Very high	56 Å²	56	44.7 Å²	44.7	29%	0.293	26%	0.263	S	S	.	.			trans	-79.4	81.1	174.2	-69.1	172.8	0	0	0	110.4	Y242 D244 G373 G374	Y242-L371 PolarHBondContact O-N 2.97Å; D244-L371 HydrophobicContact CB-CD2 3.65Å; D244-L371 HydrophobicContact CB-CG 3.87Å; L371-G373 PolarHBondContact O-N 3.34Å; L371-G374 PolarHBondContact O-N 2.91Å
372	M	86	Confident	91.7	Very high	97 Å²	97	50.8 Å²	50.8	48%	0.478	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	129.4	178.1	-63.6	-173.6	-67	0	0	111.5	E241 V261 L370 G374	E241-M372 WeakPolarHBondContact OE1-CA 3.42Å; V261-M372 HydrophobicContact CG1-SD 3.98Å; V261-M372 HydrophobicContact CG2-SD 4.2Å; L370-M372 VanDerWaalsContact C-N 3.31Å; L370-M372 PolarHBondContact O-N 2.97Å; M372-G374 PolarHBondContact O-N 3.3Å
373	G	79.3	Confident	91.4	Very high	78 Å²	78	51.1 Å²	51.1	80%	0.804	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	8.7	-178.4	0	0	0	0	0	114.6	E241 L371	E241-G373 PolarHBondContact OE1-N 2.77Å; L371-G373 PolarHBondContact O-N 3.34Å
374	G	79.1	Confident	91.3	Very high	39 Å²	39	50.6 Å²	50.6	40%	0.402	29%	0.29	S	S	.	.	S	Bend	trans	-82.5	-169	174	0	0	0	0	0	113.2	L371 M372	L371-G374 PolarHBondContact O-N 2.91Å; M372-G374 PolarHBondContact O-N 3.3Å
375	K	84.4	Confident	91.1	Very high	180 Å²	180	51.2 Å²	51.2	78%	0.783	29%	0.293	S	S	*	.			trans	-63.1	140.6	167.2	-67.4	-176.7	178.4	-178.2	0	109.2	Y242	Y242-K375 HydrophobicContact CD2-CB 4.26Å; Y242-K375 WeakPolarHBondContact CD2-O 3.19Å; Y242-K375 HydrophobicContact CE2-CB 4.01Å
376	T	90.8	Very high	90.5	Very high	61 Å²	61	55.7 Å²	55.7	37%	0.374	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	160	172.1	51.4	0	0	0	0	110.3	M240 E241	M240-T376 CarbonylContact O-C 2.95Å; M240-T376 WeakPolarHBondContact O-CA 3.48Å; E241-T376 HydrophobicContact CG-CG2 3.84Å
377	Y	92.4	Very high	89.3	Confident	71 Å²	71	61.4 Å²	61.4	28%	0.278	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.5	165.2	-179.8	-88.5	0	0	0	107.8	M240 F379 V438 P450 F452	M240-Y377 HydrophobicContact CE-CD1 3.83Å; M240-Y377 HydrophobicContact CE-CE1 4.36Å; M240-Y377 PolarHBondContact N-O 3.29Å; M240-Y377 PolarHBondContact O-N 3.47Å; Y377-F379 AromaticContact CE1-CD1 4Å; Y377-F379 HydrophobicContact CE1-CD1 4Å; Y377-F379 AromaticContact CE1-CE1 3.99Å; Y377-F379 HydrophobicContact CE1-CE1 3.99Å; Y377-V438 HydrophobicContact CD1-CG2 4.03Å; Y377-V438 HydrophobicContact CG-CG2 4.08Å; Y377-P450 HydrophobicContact CE1-CG 4.43Å; Y377-P450 HydrophobicContact CE2-CB 4.13Å; Y377-P450 HydrophobicContact CE2-CG 4.27Å; Y377-F452 HydrophobicContact CE1-CE1 4.25Å
378	S	92.6	Very high	87.6	Confident	57 Å²	57	67.8 Å²	67.8	40%	0.399	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.7	178.4	-49.9	0	0	0	0	110.5	E239	E239-S378 VanDerWaalsContact CD-OG 3.25Å; E239-S378 WeakPolarHBondContact OE1-CB 3.37Å; E239-S378 PolarHBondContact OE1-OG 3.47Å
379	F	93.6	Very high	85.6	Confident	16 Å²	16	75.6 Å²	75.6	7%	0.07	41%	0.413	C	S	.	.			trans	-73.5	170.1	166.8	-81.3	-55.2	0	0	0	111.3	N236 C237 G238 M240 Y377 E381 R417 V435 F452	N236-F379 HydrophobicContact CB-CB 4.11Å; N236-F379 HydrophobicContact CB-CD1 3.47Å; N236-F379 VanDerWaalsContact CB-CD1 3.47Å; N236-F379 HydrophobicContact CB-CD2 4.23Å; N236-F379 HydrophobicContact CB-CE1 3.79Å; N236-F379 HydrophobicContact CB-CE2 4.47Å; N236-F379 HydrophobicContact CB-CG 3.71Å; N236-F379 HydrophobicContact CB-CZ 4.28Å; C237-F379 WeakPolarHBondContact O-CD2 3.23Å; G238-F379 WeakPolarHBondContact O-CB 3.44Å; G238-F379 PolarHBondContact O-N 3.29Å; M240-F379 HydrophobicContact CE-CD2 3.74Å; M240-F379 HydrophobicContact CE-CE1 4.34Å; M240-F379 HydrophobicContact CE-CE2 3.18Å; M240-F379 HydrophobicContact CE-CZ 3.54Å; M240-F379 HydrophobicContact SD-CE2 4.27Å; Y377-F379 AromaticContact CE1-CD1 4Å; Y377-F379 HydrophobicContact CE1-CD1 4Å; Y377-F379 AromaticContact CE1-CE1 3.99Å; Y377-F379 HydrophobicContact CE1-CE1 3.99Å; F379-E381 VanDerWaalsContact C-N 3.32Å; F379-E381 PolarHBondContact O-N 3.27Å; F379-R417 HydrophobicContact CE2-CG 4.12Å; F379-R417 HydrophobicContact CZ-CG 3.91Å; F379-V435 HydrophobicContact CE2-CG2 4.23Å; F379-F452 HydrophobicContact CE1-CE1 4.06Å; F379-F452 AromaticContact CE1-CZ 3.79Å; F379-F452 HydrophobicContact CE1-CZ 3.79Å; F379-F452 AromaticContact CZ-CE1 3.64Å; F379-F452 HydrophobicContact CZ-CE1 3.64Å; F379-F452 AromaticContact CZ-CZ 3.7Å; F379-F452 HydrophobicContact CZ-CZ 3.7Å
380	P	92.7	Very high	83.2	Confident	121 Å²	121	83.4 Å²	83.4	79%	0.786	45%	0.45	S	S	*	.	S	Bend	trans	-62	-32.2	-179.1	-26.1	35.9	0	0	0	115.3
381	E	92.6	Very high	80.7	Confident	73 Å²	73	89.5 Å²	89.5	34%	0.341	48%	0.478	S	S	.	.	B	Isolated β-bridge	trans	-106	148	174.5	-65.1	-169.9	175.9	0	0	110.3	V235 N236 C237 G238 R278 F379	V235-E381 HydrophobicContact CG1-CG 4.39Å; V235-E381 WeakPolarHBondContact CG1-OE2 3.16Å; N236-E381 PolarHBondContact O-N 3.02Å; C237-E381 CarbonylContact C-O 3.56Å; C237-E381 VanDerWaalsContact CA-O 3.25Å; C237-E381 WeakPolarHBondContact CA-O 3.28Å; C237-E381 HydrophobicContact CB-CB 4.24Å; C237-E381 PolarHBondContact SG-OE2 3.14Å; G238-E381 PolarHBondContact N-O 3.4Å; R278-E381 IonicContact CZ-OE1 2.74Å; R278-E381 IonicContact CZ-OE2 3.26Å; R278-E381 IonicContact NH1-OE1 3.16Å; R278-E381 PolarHBondContact NH1-OE1 3.2Å; R278-E381 IonicContact NH1-OE2 2.69Å; R278-E381 IonicContact NH2-OE1 3.18Å; R278-E381 PolarHBondContact NH2-OE1 3.36Å; R278-E381 VanDerWaalsContact NH2-OE1 3.1Å; R278-E381 IonicContact NH2-OE2 2.91Å; R278-E381 PolarHBondContact NH2-OE2 2.95Å; F379-E381 VanDerWaalsContact C-N 3.32Å; F379-E381 PolarHBondContact O-N 3.27Å
382	E	91.7	Very high	78.2	Confident	129 Å²	129	92.9 Å²	92.9	60%	0.603	50%	0.496	S	S	*	.			trans	-69	172.9	174.6	-65.7	-167.7	-164.3	0	0	111.9	C237 G238 P384 K386	C237-E382 WeakPolarHBondContact CB-O 3.43Å; G238-E382 PolarHBondContact N-O 3.39Å; E382-P384 WeakPolarHBondContact O-CD 3.48Å; E382-K386 IonicContact OE2-NZ 3.27Å
383	N	91.3	Very high	76.5	Confident	21 Å²	21	96.9 Å²	96.9	11%	0.112	51%	0.514	C	S	.	.			trans	-64.4	118.9	175.4	-172.9	-22.3	0	0	0	109.5	F385 K386	N383-F385 PolarHBondContact O-N 2.99Å; N383-F385 VanDerWaalsContact O-N 3.12Å; N383-F385 WeakPolarHBondContact OD1-CD2 3.43Å; N383-F385 PolarHBondContact OD1-N 3.48Å; N383-F385 VanDerWaalsContact OD1-N 3.09Å; N383-K386 WeakPolarHBondContact O-CB 3.44Å; N383-K386 PolarHBondContact O-N 3.42Å
384	P	90.7	Very high	75	Confident	36 Å²	36	100.6 Å²	100.6	23%	0.234	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.5	-174.2	32	-37.8	0	0	0	113.9	C237 P274 V275 E382	C237-P384 HydrophobicContact CB-CG 4.45Å; P274-P384 HydrophobicContact CG-CB 4.12Å; V275-P384 HydrophobicContact CG2-CB 3.63Å; V275-P384 HydrophobicContact CG2-CG 3.92Å; E382-P384 WeakPolarHBondContact O-CD 3.48Å
385	F	91	Very high	73.2	Confident	19 Å²	19	101.7 Å²	101.7	8%	0.083	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	10.9	179.9	-45.8	-61.1	0	0	0	112.3	H266 V268 D273 N383 D387 Y416	H266-F385 HydrophobicContact CB-CB 4.11Å; H266-F385 HydrophobicContact CB-CD2 4.24Å; H266-F385 HydrophobicContact CB-CG 4.33Å; H266-F385 PolarHBondContact CE1-O 3.01Å; H266-F385 PolarHBondContact NE2-O 3.27Å; V268-F385 HydrophobicContact CB-CD1 4.22Å; V268-F385 HydrophobicContact CB-CE1 3.89Å; V268-F385 HydrophobicContact CB-CZ 4.2Å; V268-F385 HydrophobicContact CG1-CD1 4.34Å; V268-F385 HydrophobicContact CG1-CE1 3.95Å; V268-F385 HydrophobicContact CG2-CB 4.46Å; V268-F385 HydrophobicContact CG2-CD1 3.59Å; V268-F385 HydrophobicContact CG2-CD2 4.31Å; V268-F385 HydrophobicContact CG2-CE1 3.78Å; V268-F385 HydrophobicContact CG2-CE2 4.49Å; V268-F385 HydrophobicContact CG2-CG 3.86Å; V268-F385 HydrophobicContact CG2-CZ 4.25Å; D273-F385 HydrophobicContact CB-CE1 4.33Å; D273-F385 HydrophobicContact CB-CZ 4.5Å; D273-F385 WeakPolarHBondContact OD2-CZ 3.41Å; N383-F385 PolarHBondContact O-N 2.99Å; N383-F385 VanDerWaalsContact O-N 3.12Å; N383-F385 WeakPolarHBondContact OD1-CD2 3.43Å; N383-F385 PolarHBondContact OD1-N 3.48Å; N383-F385 VanDerWaalsContact OD1-N 3.09Å; F385-D387 PolarHBondContact O-N 3.28Å; F385-Y416 HydrophobicContact CD2-CD2 4.41Å; F385-Y416 HydrophobicContact CD2-CE1 4.45Å; F385-Y416 AromaticContact CD2-CE2 3.71Å; F385-Y416 HydrophobicContact CD2-CE2 3.71Å; F385-Y416 AromaticContact CD2-CZ 3.73Å; F385-Y416 HydrophobicContact CE2-CD1 4.22Å; F385-Y416 HydrophobicContact CE2-CD2 4.11Å; F385-Y416 AromaticContact CE2-CE1 3.83Å; F385-Y416 HydrophobicContact CE2-CE1 3.83Å; F385-Y416 AromaticContact CE2-CE2 3.71Å; F385-Y416 HydrophobicContact CE2-CE2 3.71Å; F385-Y416 HydrophobicContact CE2-CG 4.35Å; F385-Y416 AromaticContact CE2-CZ 3.56Å
386	K	83.6	Confident	71.4	Confident	95 Å²	95	99.1 Å²	99.1	41%	0.413	52%	0.519	S	S	.	.	S	Bend	trans	-72.9	125.9	171.6	-179.8	177.4	171.8	-159.3	0	107.5	E382 N383 D388 L411	E382-K386 IonicContact OE2-NZ 3.27Å; N383-K386 WeakPolarHBondContact O-CB 3.44Å; N383-K386 PolarHBondContact O-N 3.42Å; K386-D388 PolarHBondContact O-N 2.94Å; K386-D388 VanDerWaalsContact O-N 3.16Å; K386-L411 HydrophobicContact CB-CD1 4.03Å; K386-L411 HydrophobicContact CD-CD1 4.05Å; K386-L411 HydrophobicContact CG-CD1 3.94Å
387	D	70.4	Confident	69.1	Low	122 Å²	122	101.6 Å²	101.6	65%	0.652	53%	0.53	S	S	*	.			trans	-67.8	114.5	171	-68.9	-34	0	0	0	108	F385 E389	F385-D387 PolarHBondContact O-N 3.28Å; D387-E389 PolarHBondContact O-N 3.04Å
388	D	59.5	Low	66.6	Low	137 Å²	137	103 Å²	103	73%	0.733	55%	0.547	S	S	*	.			trans	-74.7	59.4	169	-65.1	-35.7	0	0	0	108.3	K386 E390	K386-D388 PolarHBondContact O-N 2.94Å; K386-D388 VanDerWaalsContact O-N 3.16Å; D388-E390 PolarHBondContact O-N 3.12Å
389	E	53.1	Low	64.3	Low	174 Å²	174	104.1 Å²	104.1	81%	0.813	56%	0.555	S	S	*	*			trans	-70.2	84.5	157.9	-70.4	-166.7	171.9	0	0	105.9	D387 E391	D387-E389 PolarHBondContact O-N 3.04Å; E389-E391 PolarHBondContact O-N 2.9Å; E389-E391 VanDerWaalsContact O-N 3.14Å
390	E	44.2	Very low	61.8	Low	165 Å²	165	110.8 Å²	110.8	77%	0.771	59%	0.587	S	S	*	*			trans	-43.4	122.2	160.7	-71.6	-173.7	160.4	0	0	106.3	D388 D392	D388-E390 PolarHBondContact O-N 3.12Å; E390-D392 VanDerWaalsContact C-N 3.3Å; E390-D392 PolarHBondContact O-N 3.36Å
391	E	43.3	Very low	59.2	Low	133 Å²	133	112.7 Å²	112.7	62%	0.621	59%	0.59	S	S	*	*			trans	-50.5	103.3	169.5	-64.5	-179.9	163.2	0	0	105.9	E389 E393 K408	E389-E391 PolarHBondContact O-N 2.9Å; E389-E391 VanDerWaalsContact O-N 3.14Å; E391-E393 PolarHBondContact O-N 3.29Å; E391-K408 IonicContact OE1-NZ 2.97Å; E391-K408 PolarHBondContact OE1-NZ 3.12Å
392	D	40.3	Very low	56.7	Low	126 Å²	126	116.7 Å²	116.7	67%	0.674	61%	0.606	S	S	*	*			trans	-62.2	82.2	174.6	-83.6	-37.6	0	0	0	107.2	E390 D394 S395	E390-D392 VanDerWaalsContact C-N 3.3Å; E390-D392 PolarHBondContact O-N 3.36Å; D392-D394 PolarHBondContact O-N 3.04Å; D392-S395 WeakPolarHBondContact CB-OG 3.24Å; D392-S395 PolarHBondContact O-N 2.76Å
393	E	48.9	Very low	54	Low	181 Å²	181	118.2 Å²	118.2	85%	0.846	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-12.1	175.2	-75.4	-167.6	152.5	0	0	111.1	E391	E391-E393 PolarHBondContact O-N 3.29Å
394	D	49.4	Very low	51.4	Low	157 Å²	157	125.3 Å²	125.3	84%	0.84	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	7.2	-179.3	-79.2	-32.8	0	0	0	115.1	D392 P396	D392-D394 PolarHBondContact O-N 3.04Å; D394-P396 VanDerWaalsContact O-CD 3.25Å; D394-P396 WeakPolarHBondContact O-CD 3.34Å
395	S	41.4	Very low	48.9	Very low	62 Å²	62	133.6 Å²	133.6	43%	0.434	69%	0.687	S	S	.	*			trans	-68.2	113.9	173.7	-83.2	0	0	0	0	111.8	D392 N397	D392-S395 WeakPolarHBondContact CB-OG 3.24Å; D392-S395 PolarHBondContact O-N 2.76Å; S395-N397 PolarHBondContact O-N 2.66Å
396	P	45.3	Very low	46	Very low	125 Å²	125	136 Å²	136	81%	0.812	72%	0.717	S	S	*	*	S	Bend	trans	-78.4	14.3	-169.3	31.9	-34.2	0	0	0	114.6	D394	D394-P396 VanDerWaalsContact O-CD 3.25Å; D394-P396 WeakPolarHBondContact O-CD 3.34Å
397	N	42.3	Very low	44	Very low	114 Å²	114	134.5 Å²	134.5	61%	0.61	73%	0.728	S	S	*	*			trans	-147	80.9	177.5	-104.4	-22	0	0	0	112.6	S395 S399	S395-N397 PolarHBondContact O-N 2.66Å; N397-S399 PolarHBondContact O-N 3.14Å; N397-S399 VanDerWaalsContact O-N 3.12Å
398	P	39.8	Very low	43.5	Very low	100 Å²	100	136.7 Å²	136.7	65%	0.649	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	10.1	-176.4	-10.5	27.3	0	0	0	114.9	K402	P398-K402 WeakPolarHBondContact O-CE 3.47Å; P398-K402 PolarHBondContact O-NZ 2.7Å
399	S	45.4	Very low	43.8	Very low	81 Å²	81	137.1 Å²	137.1	57%	0.566	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	-2.8	-164.1	71.3	0	0	0	0	116.6	N397	N397-S399 PolarHBondContact O-N 3.14Å; N397-S399 VanDerWaalsContact O-N 3.12Å
400	Q	40.4	Very low	45.1	Very low	156 Å²	156	134.7 Å²	134.7	73%	0.729	72%	0.718	S	S	*	*	S	Bend	trans	-110.9	-4.6	-177.3	-75.1	-169.3	-12.1	0	0	116.2
401	N	38.7	Very low	47.2	Very low	161 Å²	161	129.8 Å²	129.8	86%	0.861	70%	0.697	S	S	*	*	S	Bend	trans	-101.8	18.6	170.1	-102	5.4	0	0	0	114.1	N403	N401-N403 VanDerWaalsContact C-N 3.28Å; N401-N403 PolarHBondContact O-N 2.69Å
402	K	39.1	Very low	49.4	Very low	156 Å²	156	123.8 Å²	123.8	68%	0.678	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	21.1	-177.2	-72.1	-175	172.7	171.2	0	115.1	P398	P398-K402 WeakPolarHBondContact O-CE 3.47Å; P398-K402 PolarHBondContact O-NZ 2.7Å
403	N	36.1	Very low	51.9	Low	161 Å²	161	118.1 Å²	118.1	86%	0.861	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	11.3	176.9	-75.9	-5.2	0	0	0	114.3	N401	N401-N403 VanDerWaalsContact C-N 3.28Å; N401-N403 PolarHBondContact O-N 2.69Å
404	H	36.9	Very low	54.1	Low	171 Å²	171	109.9 Å²	109.9	79%	0.792	60%	0.603	S	S	*	*	S	Bend	trans	-106.6	137.2	152.5	-83.8	-77.9	0	0	0	107.8	G406	H404-G406 PolarHBondContact O-N 3.39Å
405	E	36.9	Very low	56.3	Low	210 Å²	210	102.4 Å²	102.4	98%	0.981	56%	0.563	S	S	*	*			trans	-63.6	66.6	166.5	-66.5	177.3	151.3	0	0	109.1	G407	E405-G407 PolarHBondContact O-N 3.08Å; E405-G407 VanDerWaalsContact O-N 3.08Å
406	G	31.3	Very low	58.9	Low	70 Å²	70	99.6 Å²	99.6	72%	0.722	54%	0.543	S	S	*	.			trans	-84.6	74.4	-171.4	0	0	0	0	0	111.5	H404	H404-G406 PolarHBondContact O-N 3.39Å
407	G	42.4	Very low	61.4	Low	63 Å²	63	94.6 Å²	94.6	65%	0.649	51%	0.508	S	S	*	.			trans	-61.5	140.2	161.3	0	0	0	0	0	109.5	E405 E409	E405-G407 PolarHBondContact O-N 3.08Å; E405-G407 VanDerWaalsContact O-N 3.08Å; G407-E409 PolarHBondContact O-N 3.1Å
408	K	58.3	Low	64	Low	167 Å²	167	89.2 Å²	89.2	73%	0.726	48%	0.479	S	S	*	.			trans	-48.8	130	169.5	-70.6	-172.3	172.5	-164.1	0	108.2	E391 E410	E391-K408 IonicContact OE1-NZ 2.97Å; E391-K408 PolarHBondContact OE1-NZ 3.12Å; K408-E410 PolarHBondContact O-N 3.24Å
409	E	66.9	Low	66.7	Low	146 Å²	146	85.7 Å²	85.7	68%	0.682	45%	0.453	S	S	*	.			trans	-61.1	111	178.5	-65.8	-167.9	170.5	0	0	109.5	V264 G407 L411	V264-E409 HydrophobicContact CG2-CB 4.1Å; G407-E409 PolarHBondContact O-N 3.1Å; E409-L411 PolarHBondContact O-N 2.72Å
410	E	80.8	Confident	69.1	Low	124 Å²	124	82.9 Å²	82.9	58%	0.579	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-77.6	117.3	178.8	-69.8	-170	-179.2	0	0	109.5	R263 V264 K408	R263-E410 CarbonylContact C-O 3.59Å; R263-E410 WeakPolarHBondContact CA-O 3.27Å; R263-E410 WeakPolarHBondContact CB-O 3.37Å; R263-E410 HydrophobicContact CG-CB 4.15Å; V264-E410 PolarHBondContact N-O 3.2Å; K408-E410 PolarHBondContact O-N 3.24Å
411	L	87.5	Confident	71.8	Confident	61 Å²	61	75.8 Å²	75.8	32%	0.319	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-65.5	141	174.5	-65.4	176.6	0	0	0	111.1	K386 E409	K386-L411 HydrophobicContact CB-CD1 4.03Å; K386-L411 HydrophobicContact CD-CD1 4.05Å; K386-L411 HydrophobicContact CG-CD1 3.94Å; E409-L411 PolarHBondContact O-N 2.72Å
412	G	88.8	Confident	74.5	Confident	7 Å²	7	71 Å²	71	7%	0.072	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-67.3	148.6	170.1	0	0	0	0	0	112.7	V264 V414	V264-G412 PolarHBondContact O-N 3.36Å; G412-V414 PolarHBondContact O-N 2.67Å; G412-V414 VanDerWaalsContact O-N 3.11Å
413	S	93.1	Very high	77	Confident	7 Å²	7	63.9 Å²	63.9	5%	0.049	34%	0.342	C	S	.	.			trans	-68.3	106.9	172.1	168.4	0	0	0	0	109.7	M240 E241 Q367 L370 N436	M240-S413 WeakPolarHBondContact CA-OG 3.47Å; E241-S413 PolarHBondContact N-OG 3.47Å; Q367-S413 PolarHBondContact NE2-O 3.46Å; L370-S413 VanDerWaalsContact CD1-CB 3.44Å; L370-S413 VanDerWaalsContact CD1-OG 3.31Å; L370-S413 WeakPolarHBondContact CD1-OG 3.48Å; S413-N436 PolarHBondContact OG-O 3.44Å
414	V	94.6	Very high	79.6	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.048	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	132.1	177.6	-177.6	0	0	0	0	109.6	E239 L265 G412 Y416 E434	E239-V414 PolarHBondContact N-O 3.22Å; E239-V414 CarbonylContact O-C 3.59Å; E239-V414 PolarHBondContact O-N 2.55Å; E239-V414 VanDerWaalsContact O-N 3.13Å; E239-V414 VanDerWaalsContact O-O 3.11Å; L265-V414 HydrophobicContact CD2-CG2 3.49Å; L265-V414 VanDerWaalsContact CD2-CG2 3.49Å; G412-V414 PolarHBondContact O-N 2.67Å; G412-V414 VanDerWaalsContact O-N 3.11Å; V414-Y416 HydrophobicContact CB-CE2 4.46Å; V414-Y416 HydrophobicContact CG1-CD1 4.37Å; V414-Y416 HydrophobicContact CG1-CD2 4.45Å; V414-Y416 HydrophobicContact CG1-CE1 3.92Å; V414-Y416 HydrophobicContact CG1-CE2 4Å; V414-E434 HydrophobicContact CG1-CB 4.46Å; V414-E434 HydrophobicContact CG1-CG 4.39Å
415	G	95.5	Very high	82	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.2	166.7	0	0	0	0	0	111.1	E434 V435	G415-E434 WeakPolarHBondContact O-CA 3.39Å; G415-V435 PolarHBondContact N-O 3.18Å; G415-V435 WeakPolarHBondContact O-CG2 3.12Å; G415-V435 PolarHBondContact O-N 2.82Å
416	Y	97	Very high	84.4	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.7	175.2	-60.6	-77.8	0	0	0	110.1	N236 C237 F385 V414 R432 C433 E434	N236-Y416 CarbonylContact C-O 3.53Å; N236-Y416 WeakPolarHBondContact CA-O 3.37Å; C237-Y416 PolarHBondContact N-O 3.46Å; C237-Y416 PolarHBondContact O-N 2.86Å; F385-Y416 HydrophobicContact CD2-CD2 4.41Å; F385-Y416 HydrophobicContact CD2-CE1 4.45Å; F385-Y416 AromaticContact CD2-CE2 3.71Å; F385-Y416 HydrophobicContact CD2-CE2 3.71Å; F385-Y416 AromaticContact CD2-CZ 3.73Å; F385-Y416 HydrophobicContact CE2-CD1 4.22Å; F385-Y416 HydrophobicContact CE2-CD2 4.11Å; F385-Y416 AromaticContact CE2-CE1 3.83Å; F385-Y416 HydrophobicContact CE2-CE1 3.83Å; F385-Y416 AromaticContact CE2-CE2 3.71Å; F385-Y416 HydrophobicContact CE2-CE2 3.71Å; F385-Y416 HydrophobicContact CE2-CG 4.35Å; F385-Y416 AromaticContact CE2-CZ 3.56Å; V414-Y416 HydrophobicContact CB-CE2 4.46Å; V414-Y416 HydrophobicContact CG1-CD1 4.37Å; V414-Y416 HydrophobicContact CG1-CD2 4.45Å; V414-Y416 HydrophobicContact CG1-CE1 3.92Å; V414-Y416 HydrophobicContact CG1-CE2 4Å; Y416-R432 HydrophobicContact CD1-CG 4.08Å; Y416-C433 CarbonylContact C-O 3.52Å; Y416-C433 WeakPolarHBondContact CA-O 3.49Å; Y416-E434 HydrophobicContact CD1-CG 3.75Å; Y416-E434 HydrophobicContact CE1-CG 3.72Å
417	R	96.9	Very high	87.3	Confident	20 Å²	20	48.3 Å²	48.3	8%	0.075	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.2	177.3	-60.5	177.3	70.1	-179.4	10.3	109.1	D233 N236 F379 R419 C433 S504 G505	D233-R417 IonicContact OD1-NH2 3.45Å; D233-R417 IonicContact OD2-CZ 2.8Å; D233-R417 IonicContact OD2-NE 2.87Å; D233-R417 IonicContact OD2-NH2 3.92Å; D233-R417 PolarHBondContact OD2-NH2 3.19Å; N236-R417 WeakPolarHBondContact OD1-CG 3.39Å; F379-R417 HydrophobicContact CE2-CG 4.12Å; F379-R417 HydrophobicContact CZ-CG 3.91Å; R417-R419 HydrophobicContact CB-CG 4.14Å; R417-C433 PolarHBondContact N-O 2.92Å; R417-C433 PolarHBondContact O-N 2.86Å; R417-S504 PolarHBondContact NH1-O 2.63Å; R417-G505 PolarHBondContact NH1-O 2.94Å
418	Y	97.4	Very high	89.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.2	177.1	-61.6	-94	0	0	0	108.7	K234 V235 C237 D273 V275 I276 L279 R432	K234-Y418 PolarHBondContact N-O 3.46Å; V235-Y418 HydrophobicContact CB-CD2 3.89Å; V235-Y418 HydrophobicContact CB-CG 4.34Å; V235-Y418 HydrophobicContact CG1-CD2 4.36Å; V235-Y418 PolarHBondContact O-N 3.31Å; C237-Y418 HydrophobicContact CB-CE2 4.49Å; D273-Y418 PolarHBondContact OD1-OH 3.38Å; D273-Y418 PolarHBondContact OD2-OH 2.9Å; D273-Y418 VanDerWaalsContact OD2-OH 3.08Å; V275-Y418 HydrophobicContact CB-CD1 4.39Å; V275-Y418 HydrophobicContact CB-CD2 4.47Å; V275-Y418 HydrophobicContact CB-CE1 3.76Å; V275-Y418 HydrophobicContact CB-CE2 3.86Å; V275-Y418 VanDerWaalsContact CB-CZ 3.45Å; V275-Y418 HydrophobicContact CG1-CD1 3.89Å; V275-Y418 HydrophobicContact CG1-CD2 3.7Å; V275-Y418 HydrophobicContact CG1-CE1 3.76Å; V275-Y418 HydrophobicContact CG1-CE2 3.57Å; V275-Y418 HydrophobicContact CG1-CG 3.86Å; V275-Y418 HydrophobicContact CG2-CE2 4.06Å; I276-Y418 HydrophobicContact CD1-CE1 4.43Å; I276-Y418 HydrophobicContact CG1-CD1 4.14Å; I276-Y418 HydrophobicContact CG1-CE1 3.78Å; L279-Y418 HydrophobicContact CD1-CD1 4.05Å; L279-Y418 HydrophobicContact CD1-CG 4.11Å; Y418-R432 HydrophobicContact CD1-CB 3.94Å; Y418-R432 HydrophobicContact CD1-CG 4.12Å; Y418-R432 HydrophobicContact CE1-CB 3.69Å; Y418-R432 HydrophobicContact CE1-CG 3.56Å; Y418-R432 HydrophobicContact CE2-CG 4.47Å; Y418-R432 WeakPolarHBondContact OH-CD 3.47Å
419	R	96.9	Very high	91.6	Very high	27 Å²	27	41.3 Å²	41.3	10%	0.102	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.1	-170.2	-53.1	-174.6	84.2	-171.9	10.3	110.7	P231 I232 D233 R417 F421 V430 I431 L503 G505	P231-R419 HydrophobicContact CB-CB 4.11Å; P231-R419 VanDerWaalsContact CG-NH2 3.34Å; I232-R419 WeakPolarHBondContact O-CA 3.31Å; D233-R419 WeakPolarHBondContact OD1-CG 3.45Å; D233-R419 IonicContact OD1-CZ 3.67Å; D233-R419 IonicContact OD1-NE 3.6Å; D233-R419 PolarHBondContact OD1-NE 3.48Å; D233-R419 IonicContact OD1-NH2 3.29Å; D233-R419 PolarHBondContact OD1-NH2 2.69Å; R417-R419 HydrophobicContact CB-CG 4.14Å; R419-F421 HydrophobicContact CB-CE2 3.82Å; R419-F421 HydrophobicContact CB-CZ 4.39Å; R419-V430 WeakPolarHBondContact O-CA 3.48Å; R419-I431 PolarHBondContact N-O 2.92Å; R419-I431 PolarHBondContact O-N 3.26Å; R419-L503 VanDerWaalsContact CD-O 3.27Å; R419-L503 WeakPolarHBondContact CD-O 3.03Å; R419-L503 PolarHBondContact NH1-O 2.87Å; R419-G505 VanDerWaalsContact NH1-CA 3.3Å; R419-G505 VanDerWaalsContact NH1-N 3.13Å
420	I	96.7	Very high	93	Very high	21 Å²	21	34.3 Å²	34.3	11%	0.108	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.4	-179.4	-51.6	166.4	0	0	0	109.1	P231 I232 K234 V284 Q428 M429 V430	P231-I420 CarbonylContact C-O 3.6Å; P231-I420 WeakPolarHBondContact CA-O 3.4Å; P231-I420 VanDerWaalsContact CB-O 3.28Å; P231-I420 WeakPolarHBondContact CB-O 3.36Å; I232-I420 HydrophobicContact CB-CB 4.49Å; I232-I420 PolarHBondContact N-O 2.79Å; I232-I420 PolarHBondContact O-N 3.22Å; K234-I420 HydrophobicContact CB-CD1 3.95Å; K234-I420 HydrophobicContact CB-CG1 4.2Å; K234-I420 HydrophobicContact CD-CD1 4.18Å; K234-I420 HydrophobicContact CG-CD1 4.18Å; V284-I420 HydrophobicContact CG1-CD1 3.29Å; V284-I420 HydrophobicContact CG1-CG1 3.94Å; I420-Q428 HydrophobicContact CG2-CB 4.33Å; I420-M429 CarbonylContact C-O 3.58Å; I420-M429 WeakPolarHBondContact CA-O 3.17Å; I420-V430 HydrophobicContact CG1-CG2 4.37Å
421	F	96.4	Very high	93.8	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.035	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.6	175.4	-65	-95.3	0	0	0	110	P231 R419 L423 M429 I431 L503 W550	P231-F421 HydrophobicContact CB-CD1 3.68Å; P231-F421 HydrophobicContact CB-CD2 4.11Å; P231-F421 HydrophobicContact CB-CE1 3.47Å; P231-F421 VanDerWaalsContact CB-CE1 3.47Å; P231-F421 HydrophobicContact CB-CE2 3.92Å; P231-F421 HydrophobicContact CB-CG 4Å; P231-F421 HydrophobicContact CB-CZ 3.6Å; P231-F421 HydrophobicContact CG-CD1 4.19Å; P231-F421 HydrophobicContact CG-CE1 3.53Å; P231-F421 HydrophobicContact CG-CE2 4.41Å; P231-F421 HydrophobicContact CG-CZ 3.66Å; R419-F421 HydrophobicContact CB-CE2 3.82Å; R419-F421 HydrophobicContact CB-CZ 4.39Å; F421-L423 HydrophobicContact CB-CD2 4.34Å; F421-M429 PolarHBondContact N-O 2.94Å; F421-M429 PolarHBondContact O-N 3.34Å; F421-I431 HydrophobicContact CD2-CB 4.37Å; F421-I431 HydrophobicContact CD2-CD1 3.74Å; F421-I431 HydrophobicContact CD2-CG1 3.93Å; F421-I431 HydrophobicContact CE2-CB 4.11Å; F421-I431 HydrophobicContact CE2-CD1 3.81Å; F421-I431 HydrophobicContact CE2-CG1 4.09Å; F421-L503 HydrophobicContact CE1-CD2 4.16Å; F421-L503 HydrophobicContact CE2-CD2 4.42Å; F421-L503 HydrophobicContact CZ-CD2 3.87Å; F421-W550 HydrophobicContact CB-CH2 4.11Å; F421-W550 HydrophobicContact CB-CZ3 4.48Å; F421-W550 AromaticContact CD1-CH2 3.39Å; F421-W550 HydrophobicContact CD1-CH2 3.39Å; F421-W550 AromaticContact CD1-CZ2 3.61Å; F421-W550 HydrophobicContact CD1-CZ2 3.61Å; F421-W550 HydrophobicContact CD1-CZ3 4.47Å; F421-W550 HydrophobicContact CD2-CH2 4.34Å; F421-W550 AromaticContact CE1-CH2 3.81Å; F421-W550 HydrophobicContact CE1-CH2 3.81Å; F421-W550 AromaticContact CE1-CZ2 3.77Å; F421-W550 HydrophobicContact CE1-CZ2 3.77Å; F421-W550 AromaticContact CG-CH2 3.69Å; F421-W550 HydrophobicContact CG-CH2 3.69Å; F421-W550 HydrophobicContact CG-CZ2 4.38Å; F421-W550 HydrophobicContact CG-CZ3 4.5Å; F421-W550 HydrophobicContact CZ-CH2 4.44Å
422	D	94.7	Very high	94.3	Very high	61 Å²	61	25.7 Å²	25.7	33%	0.326	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	108.9	171.8	176.5	15.4	0	0	0	109.1	K229 G424	K229-D422 IonicContact NZ-OD2 3.45Å; K229-D422 PolarHBondContact NZ-OD2 2.82Å; D422-G424 PolarHBondContact OD1-N 2.82Å
423	L	92.8	Very high	94.7	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.031	14%	0.136	C	C	.	.			trans	-91.5	1.4	178.8	-56.2	-174.1	0	0	0	112.7	L225 V228 F421 V427 M429 W550 R554	L225-L423 HydrophobicContact CD2-CB 4.48Å; V228-L423 HydrophobicContact CG1-CD2 4.4Å; F421-L423 HydrophobicContact CB-CD2 4.34Å; L423-V427 HydrophobicContact CB-CB 4.37Å; L423-V427 HydrophobicContact CB-CG1 4.32Å; L423-V427 HydrophobicContact CD1-CG1 4.31Å; L423-V427 PolarHBondContact N-O 2.98Å; L423-M429 HydrophobicContact CD1-CB 4.03Å; L423-M429 HydrophobicContact CD1-SD 3.88Å; L423-M429 HydrophobicContact CG-CB 4.31Å; L423-W550 HydrophobicContact CD2-CD2 4.44Å; L423-W550 HydrophobicContact CD2-CE3 3.5Å; L423-W550 HydrophobicContact CD2-CH2 4.42Å; L423-W550 HydrophobicContact CD2-CZ3 3.5Å; L423-R554 PolarHBondContact O-NH1 2.83Å
424	G	89.7	Confident	94.8	Very high	27 Å²	27	26.6 Å²	26.6	28%	0.278	14%	0.141	S	C	.	.	S	Bend	trans	81.6	171.2	-175.2	0	0	0	0	0	113.9	D422 D426 V427 R554	D422-G424 PolarHBondContact OD1-N 2.82Å; G424-D426 PolarHBondContact O-N 3.42Å; G424-V427 PolarHBondContact O-N 3.12Å; G424-V427 VanDerWaalsContact O-N 3.15Å; G424-R554 VanDerWaalsContact C-NH1 3.3Å; G424-R554 PolarHBondContact O-NH1 2.81Å
425	N	87.6	Confident	94.9	Very high	141 Å²	141	26.2 Å²	26.2	75%	0.754	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	43	-176.4	-57.5	-23.6	0	0	0	113.5	V427	N425-V427 PolarHBondContact O-N 3.05Å
426	D	87.5	Confident	94.9	Very high	107 Å²	107	26.8 Å²	26.8	57%	0.572	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	30.3	178.4	-165.5	42.4	0	0	0	114.4	K286 G424	K286-D426 WeakPolarHBondContact CD-O 3.49Å; K286-D426 WeakPolarHBondContact CE-O 3.42Å; K286-D426 WeakPolarHBondContact CE-OD2 3.41Å; K286-D426 PolarHBondContact NZ-O 3.01Å; K286-D426 IonicContact NZ-OD2 3.73Å; K286-D426 PolarHBondContact NZ-OD2 3.45Å; G424-D426 PolarHBondContact O-N 3.42Å
427	V	92.3	Very high	94.7	Very high	10 Å²	10	26.6 Å²	26.6	6%	0.061	14%	0.141	C	C	.	.			trans	-107.3	101	173.1	-178.7	0	0	0	0	108.9	V287 L423 G424 N425 V557	V287-V427 HydrophobicContact CG2-CG1 4.12Å; L423-V427 HydrophobicContact CB-CB 4.37Å; L423-V427 HydrophobicContact CB-CG1 4.32Å; L423-V427 HydrophobicContact CD1-CG1 4.31Å; L423-V427 PolarHBondContact N-O 2.98Å; G424-V427 PolarHBondContact O-N 3.12Å; G424-V427 VanDerWaalsContact O-N 3.15Å; N425-V427 PolarHBondContact O-N 3.05Å; V427-V557 HydrophobicContact CG1-CG1 3.78Å
428	Q	94.3	Very high	94.7	Very high	81 Å²	81	25.8 Å²	25.8	38%	0.379	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.5	170.9	-65.7	-178.3	15.9	0	0	109.4	V284 K286 V287 I420	V284-Q428 PolarHBondContact O-OE1 3.49Å; K286-Q428 PolarHBondContact N-O 3.45Å; V287-Q428 PolarHBondContact N-O 3.3Å; I420-Q428 HydrophobicContact CG2-CB 4.33Å
429	M	95.7	Very high	94.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.8	-177.5	-177.3	168.1	-178.8	0	0	110.2	V287 C289 I420 F421 L423 I431 L553	V287-M429 HydrophobicContact CB-CB 4.18Å; V287-M429 HydrophobicContact CB-CG 4Å; V287-M429 HydrophobicContact CG1-CE 4.18Å; V287-M429 HydrophobicContact CG1-CG 3.98Å; V287-M429 HydrophobicContact CG1-SD 4.18Å; V287-M429 CarbonylContact O-C 3.47Å; V287-M429 WeakPolarHBondContact O-CA 3.44Å; C289-M429 HydrophobicContact CB-CE 4.36Å; C289-M429 WeakPolarHBondContact SG-CE 3.18Å; I420-M429 CarbonylContact C-O 3.58Å; I420-M429 WeakPolarHBondContact CA-O 3.17Å; F421-M429 PolarHBondContact N-O 2.94Å; F421-M429 PolarHBondContact O-N 3.34Å; L423-M429 HydrophobicContact CD1-CB 4.03Å; L423-M429 HydrophobicContact CD1-SD 3.88Å; L423-M429 HydrophobicContact CG-CB 4.31Å; M429-I431 HydrophobicContact CE-CD1 3.89Å; M429-I431 HydrophobicContact CE-CG1 3.93Å; M429-I431 HydrophobicContact CG-CD1 4.33Å; M429-I431 HydrophobicContact CG-CG1 3.94Å; M429-I431 HydrophobicContact SD-CD1 4.24Å; M429-I431 HydrophobicContact SD-CG1 4.42Å; M429-L553 HydrophobicContact CE-CD1 4.17Å; M429-L553 HydrophobicContact CE-CD2 3.83Å; M429-L553 HydrophobicContact CE-CG 4.37Å; M429-L553 HydrophobicContact SD-CD2 3.71Å; M429-L553 HydrophobicContact SD-CG 4.22Å
430	V	97.1	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.7	175.6	-177	0	0	0	0	108	L279 V284 V287 Y288 C289 R419 I420	L279-V430 HydrophobicContact CD1-CG1 3.91Å; V284-V430 HydrophobicContact CG1-CG2 4.36Å; V287-V430 PolarHBondContact O-N 3.41Å; Y288-V430 WeakPolarHBondContact CA-O 3.16Å; Y288-V430 HydrophobicContact CD1-CB 3.67Å; Y288-V430 HydrophobicContact CD1-CG1 4.2Å; Y288-V430 HydrophobicContact CD1-CG2 4.01Å; Y288-V430 HydrophobicContact CE1-CB 3.87Å; Y288-V430 HydrophobicContact CE1-CG1 4.41Å; Y288-V430 HydrophobicContact CE1-CG2 3.66Å; C289-V430 PolarHBondContact N-O 3.15Å; C289-V430 VanDerWaalsContact N-O 3.14Å; R419-V430 WeakPolarHBondContact O-CA 3.48Å; I420-V430 HydrophobicContact CG1-CG2 4.37Å
431	I	97.6	Very high	93.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.2	178.6	-52.4	-176.6	0	0	0	108.3	C289 D291 A294 R419 F421 M429 L503 W550	C289-I431 WeakPolarHBondContact O-CA 3.27Å; D291-I431 HydrophobicContact CB-CG2 4.06Å; A294-I431 HydrophobicContact CB-CD1 4.18Å; R419-I431 PolarHBondContact N-O 2.92Å; R419-I431 PolarHBondContact O-N 3.26Å; F421-I431 HydrophobicContact CD2-CB 4.37Å; F421-I431 HydrophobicContact CD2-CD1 3.74Å; F421-I431 HydrophobicContact CD2-CG1 3.93Å; F421-I431 HydrophobicContact CE2-CB 4.11Å; F421-I431 HydrophobicContact CE2-CD1 3.81Å; F421-I431 HydrophobicContact CE2-CG1 4.09Å; M429-I431 HydrophobicContact CE-CD1 3.89Å; M429-I431 HydrophobicContact CE-CG1 3.93Å; M429-I431 HydrophobicContact CG-CD1 4.33Å; M429-I431 HydrophobicContact CG-CG1 3.94Å; M429-I431 HydrophobicContact SD-CD1 4.24Å; M429-I431 HydrophobicContact SD-CG1 4.42Å; I431-L503 HydrophobicContact CD1-CD1 4.32Å; I431-L503 HydrophobicContact CD1-CD2 4.18Å; I431-W550 HydrophobicContact CD1-CH2 4.42Å
432	R	97.7	Very high	92.2	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.011	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.2	164.1	-176.2	-173.7	86.3	-151.8	2.4	108.7	V268 D273 I276 C289 D291 Y416 Y418 E434	V268-R432 PolarHBondContact O-NH1 3.27Å; V268-R432 PolarHBondContact O-NH2 3.24Å; D273-R432 WeakPolarHBondContact OD2-CD 3.41Å; D273-R432 IonicContact OD2-CZ 3.47Å; D273-R432 IonicContact OD2-NE 3.8Å; D273-R432 IonicContact OD2-NH1 3.82Å; D273-R432 PolarHBondContact OD2-NH1 2.88Å; I276-R432 HydrophobicContact CD1-CB 4.31Å; C289-R432 PolarHBondContact O-N 2.77Å; D291-R432 WeakPolarHBondContact CB-O 3.33Å; D291-R432 PolarHBondContact N-O 3.44Å; Y416-R432 HydrophobicContact CD1-CG 4.08Å; Y418-R432 HydrophobicContact CD1-CB 3.94Å; Y418-R432 HydrophobicContact CD1-CG 4.12Å; Y418-R432 HydrophobicContact CE1-CB 3.69Å; Y418-R432 HydrophobicContact CE1-CG 3.56Å; Y418-R432 HydrophobicContact CE2-CG 4.47Å; Y418-R432 WeakPolarHBondContact OH-CD 3.47Å; R432-E434 IonicContact NE-OE1 3.85Å; R432-E434 IonicContact NH2-OE1 3.47Å
433	C	97.2	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.7	179.4	-54.3	0	0	0	0	111.6	D291 Y416 R417 L503 S504	D291-C433 HydrophobicContact CB-CB 4.39Å; Y416-C433 CarbonylContact C-O 3.52Å; Y416-C433 WeakPolarHBondContact CA-O 3.49Å; R417-C433 PolarHBondContact N-O 2.92Å; R417-C433 PolarHBondContact O-N 2.86Å; C433-L503 VanDerWaalsContact SG-C 3.54Å; C433-L503 PolarHBondContact SG-O 3.19Å; C433-L503 VanDerWaalsContact SG-O 3.33Å; C433-S504 VanDerWaalsContact CB-CA 3.41Å
434	E	95.7	Very high	89.7	Confident	33 Å²	33	45 Å²	45	15%	0.154	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.6	-178	-66.7	171.6	-169.6	0	0	112.5	D291 V414 G415 Y416 R432 S504	D291-E434 PolarHBondContact OD2-N 3.45Å; V414-E434 HydrophobicContact CG1-CB 4.46Å; V414-E434 HydrophobicContact CG1-CG 4.39Å; G415-E434 WeakPolarHBondContact O-CA 3.39Å; Y416-E434 HydrophobicContact CD1-CG 3.75Å; Y416-E434 HydrophobicContact CE1-CG 3.72Å; R432-E434 IonicContact NE-OE1 3.85Å; R432-E434 IonicContact NH2-OE1 3.47Å; E434-S504 VanDerWaalsContact O-CB 3.28Å; E434-S504 WeakPolarHBondContact O-CB 3.38Å; E434-S504 PolarHBondContact O-OG 2.99Å
435	V	95.9	Very high	88.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.8	170.8	-75.7	0	0	0	0	108.9	M240 F379 G415 F452 A506	M240-V435 HydrophobicContact CE-CG2 4.14Å; M240-V435 HydrophobicContact SD-CB 3.95Å; M240-V435 HydrophobicContact SD-CG2 3.3Å; M240-V435 WeakPolarHBondContact SD-CG2 3.25Å; F379-V435 HydrophobicContact CE2-CG2 4.23Å; G415-V435 PolarHBondContact N-O 3.18Å; G415-V435 WeakPolarHBondContact O-CG2 3.12Å; G415-V435 PolarHBondContact O-N 2.82Å; V435-F452 HydrophobicContact CB-CB 4.36Å; V435-F452 HydrophobicContact CG1-CB 3.89Å; V435-F452 HydrophobicContact CG1-CG 4.34Å; V435-F452 HydrophobicContact CG2-CD1 4.33Å; V435-A506 HydrophobicContact CG1-CB 4.47Å
436	N	95.3	Very high	86.4	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.07	28%	0.276	C	S	.	.			trans	-91	-32.7	-171.9	-58.7	111.2	0	0	0	112.8	S413 V453 C454 I455	S413-N436 PolarHBondContact OG-O 3.44Å; N436-V453 PolarHBondContact N-O 3.42Å; N436-C454 WeakPolarHBondContact OD1-CA 3.48Å; N436-I455 HydrophobicContact CB-CB 4.39Å; N436-I455 HydrophobicContact CB-CG1 4.33Å; N436-I455 PolarHBondContact OD1-N 3.24Å
437	G	94.5	Very high	84.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	174.8	-174.7	0	0	0	0	0	113.7	E241 V453	E241-G437 WeakPolarHBondContact O-CA 3.43Å; G437-V453 PolarHBondContact N-O 3.33Å; G437-V453 PolarHBondContact O-N 2.66Å
438	V	95.1	Very high	83	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.9	179.5	-176.2	0	0	0	0	110.4	M240 E241 Y242 Y243 Y377 P450 Q451 F452	M240-V438 HydrophobicContact CB-CG2 4Å; M240-V438 HydrophobicContact CE-CG2 3.83Å; M240-V438 HydrophobicContact SD-CG2 4Å; E241-V438 PolarHBondContact O-N 3.4Å; E241-V438 VanDerWaalsContact O-N 3.14Å; Y242-V438 CarbonylContact C-O 3.18Å; Y242-V438 VanDerWaalsContact CA-O 3.24Å; Y242-V438 WeakPolarHBondContact CA-O 3.37Å; Y242-V438 HydrophobicContact CD1-CB 4.15Å; Y242-V438 HydrophobicContact CD1-CG1 4.25Å; Y242-V438 HydrophobicContact CE1-CB 4.24Å; Y242-V438 HydrophobicContact CE1-CG1 3.97Å; Y243-V438 PolarHBondContact N-O 3.2Å; Y377-V438 HydrophobicContact CD1-CG2 4.03Å; Y377-V438 HydrophobicContact CG-CG2 4.08Å; V438-P450 HydrophobicContact CG1-CB 4Å; V438-Q451 WeakPolarHBondContact CA-O 3.42Å; V438-F452 HydrophobicContact CG2-CD1 3.92Å; V438-F452 HydrophobicContact CG2-CE1 4.05Å
439	L	92.9	Very high	82.4	Confident	16 Å²	16	56.2 Å²	56.2	8%	0.084	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-76.7	139.2	171.7	-67.9	168.6	0	0	0	110.9	Y243 Q451 V453 Q508	Y243-L439 HydrophobicContact CD1-CD2 3.83Å; Y243-L439 HydrophobicContact CG-CD2 4.21Å; L439-Q451 HydrophobicContact CB-CB 4.16Å; L439-Q451 HydrophobicContact CD1-CB 3.91Å; L439-Q451 HydrophobicContact CG-CB 4.4Å; L439-Q451 PolarHBondContact N-O 3.23Å; L439-V453 HydrophobicContact CD1-CG2 4.1Å; L439-V453 HydrophobicContact CD2-CG2 3.8Å; L439-V453 HydrophobicContact CG-CG2 3.51Å; L439-Q508 HydrophobicContact CD1-CG 4.19Å
440	Q	86.7	Confident	82.1	Confident	78 Å²	78	58.1 Å²	58.1	36%	0.364	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-61.9	135.5	171	-66.1	-177.5	5.7	0	0	110.9	Y242 K245	Y242-Q440 HydrophobicContact CD1-CB 4.47Å; Y242-Q440 HydrophobicContact CD1-CG 3.93Å; Y242-Q440 HydrophobicContact CG-CG 3.97Å; K245-Q440 PolarHBondContact NZ-O 2.86Å
441	P	80.9	Confident	81.9	Confident	76 Å²	76	62.5 Å²	62.5	49%	0.494	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-57.9	141.6	174	24.7	-32.2	0	0	0	110.3	S443	P441-S443 VanDerWaalsContact C-N 3.34Å
442	T	76.1	Confident	81.8	Confident	137 Å²	137	63.2 Å²	63.2	84%	0.84	36%	0.361	S	S	*	.	S	Bend	trans	-79.7	-19.9	-176.8	-53.7	0	0	0	0	112.4
443	S	69.2	Low	81.7	Confident	56 Å²	56	63 Å²	63	39%	0.392	36%	0.361	S	S	.	.			trans	-153.1	143	-178.8	55.5	0	0	0	0	110	P441 D445	P441-S443 VanDerWaalsContact C-N 3.34Å; S443-D445 PolarHBondContact O-N 3.35Å
444	D	65.4	Low	81.8	Confident	164 Å²	164	63.1 Å²	63.1	88%	0.877	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.1	178.8	-68.6	-26.9	0	0	0	113.4
445	D	56.4	Low	81.8	Confident	158 Å²	158	61.6 Å²	61.6	85%	0.845	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	7.2	-169.4	-75.7	-32.3	0	0	0	116.3	S443	S443-D445 PolarHBondContact O-N 3.35Å
446	Q	50.1	Low	81.9	Confident	138 Å²	138	63.2 Å²	63.2	65%	0.645	36%	0.36	S	S	*	.	S	Bend	trans	-115.1	133.3	170.9	-71	-165.8	3.7	0	0	110	A448	Q446-A448 HydrophobicContact CB-CB 4.34Å; Q446-A448 PolarHBondContact O-N 3.27Å
447	P	48	Very low	82	Confident	137 Å²	137	62.7 Å²	62.7	89%	0.89	36%	0.357	S	S	*	.			trans	-70.3	74	161	31.3	-30	0	0	0	106.8	T449	P447-T449 PolarHBondContact O-N 2.84Å
448	A	62.1	Low	82.2	Confident	53 Å²	53	62.7 Å²	62.7	44%	0.438	36%	0.357	S	S	.	.			trans	-76.6	114.9	-175.8	0	0	0	0	0	107.1	Q446	Q446-A448 HydrophobicContact CB-CB 4.34Å; Q446-A448 PolarHBondContact O-N 3.27Å
449	T	81.7	Confident	82.2	Confident	116 Å²	116	62.9 Å²	62.9	71%	0.712	36%	0.358	S	S	*	.			trans	-44.8	126.7	165.3	48.4	0	0	0	0	108.5	P447 Q451	P447-T449 PolarHBondContact O-N 2.84Å; T449-Q451 PolarHBondContact O-N 3.46Å
450	P	88.3	Confident	82.4	Confident	41 Å²	41	62.9 Å²	62.9	27%	0.266	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-57.1	131.1	-176	25.8	-36	0	0	0	109.2	Y377 V438 F452	Y377-P450 HydrophobicContact CE1-CG 4.43Å; Y377-P450 HydrophobicContact CE2-CB 4.13Å; Y377-P450 HydrophobicContact CE2-CG 4.27Å; V438-P450 HydrophobicContact CG1-CB 4Å; P450-F452 HydrophobicContact CB-CE1 4.18Å; P450-F452 HydrophobicContact CB-CZ 4.05Å; P450-F452 HydrophobicContact CG-CE1 4.21Å; P450-F452 HydrophobicContact CG-CE2 4.09Å; P450-F452 HydrophobicContact CG-CZ 3.61Å
451	Q	93.2	Very high	82.7	Confident	92 Å²	92	59.6 Å²	59.6	43%	0.43	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-92.1	116.4	175.9	-70.2	-176.9	-7.5	0	0	109.3	V438 L439 T449 D507	V438-Q451 WeakPolarHBondContact CA-O 3.42Å; L439-Q451 HydrophobicContact CB-CB 4.16Å; L439-Q451 HydrophobicContact CD1-CB 3.91Å; L439-Q451 HydrophobicContact CG-CB 4.4Å; L439-Q451 PolarHBondContact N-O 3.23Å; T449-Q451 PolarHBondContact O-N 3.46Å; Q451-D507 VanDerWaalsContact CA-OD2 3.23Å; Q451-D507 WeakPolarHBondContact CA-OD2 3.31Å; Q451-D507 HydrophobicContact CB-CB 4.25Å
452	F	96	Very high	83.3	Confident	14 Å²	14	56.4 Å²	56.4	6%	0.061	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146.8	-175.6	-60	-68.1	0	0	0	111.8	M240 Y377 F379 V435 V438 P450 D507 Q508	M240-F452 HydrophobicContact CE-CD1 3.98Å; M240-F452 HydrophobicContact CE-CE1 3.65Å; M240-F452 HydrophobicContact SD-CD1 4.13Å; M240-F452 HydrophobicContact SD-CE1 4.41Å; Y377-F452 HydrophobicContact CE1-CE1 4.25Å; F379-F452 HydrophobicContact CE1-CE1 4.06Å; F379-F452 AromaticContact CE1-CZ 3.79Å; F379-F452 HydrophobicContact CE1-CZ 3.79Å; F379-F452 AromaticContact CZ-CE1 3.64Å; F379-F452 HydrophobicContact CZ-CE1 3.64Å; F379-F452 AromaticContact CZ-CZ 3.7Å; F379-F452 HydrophobicContact CZ-CZ 3.7Å; V435-F452 HydrophobicContact CB-CB 4.36Å; V435-F452 HydrophobicContact CG1-CB 3.89Å; V435-F452 HydrophobicContact CG1-CG 4.34Å; V435-F452 HydrophobicContact CG2-CD1 4.33Å; V438-F452 HydrophobicContact CG2-CD1 3.92Å; V438-F452 HydrophobicContact CG2-CE1 4.05Å; P450-F452 HydrophobicContact CB-CE1 4.18Å; P450-F452 HydrophobicContact CB-CZ 4.05Å; P450-F452 HydrophobicContact CG-CE1 4.21Å; P450-F452 HydrophobicContact CG-CE2 4.09Å; P450-F452 HydrophobicContact CG-CZ 3.61Å; F452-D507 PolarHBondContact N-OD2 3.4Å; F452-D507 PolarHBondContact O-N 3.16Å; F452-Q508 PolarHBondContact O-N 3.28Å
453	V	96.2	Very high	84	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.3	-178.8	-172.3	0	0	0	0	110.4	N436 G437 L439 I455 Q508 K510	N436-V453 PolarHBondContact N-O 3.42Å; G437-V453 PolarHBondContact N-O 3.33Å; G437-V453 PolarHBondContact O-N 2.66Å; L439-V453 HydrophobicContact CD1-CG2 4.1Å; L439-V453 HydrophobicContact CD2-CG2 3.8Å; L439-V453 HydrophobicContact CG-CG2 3.51Å; V453-I455 HydrophobicContact CG1-CG1 3.9Å; V453-Q508 WeakPolarHBondContact CA-O 3.41Å; V453-Q508 HydrophobicContact CG1-CB 4.45Å; V453-Q508 HydrophobicContact CG2-CB 4.37Å; V453-K510 HydrophobicContact CG1-CB 4.14Å; V453-K510 HydrophobicContact CG1-CD 3.94Å; V453-K510 HydrophobicContact CG1-CG 3.83Å
454	C	97.4	Very high	84.9	Confident	2 Å²	2	57 Å²	57	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.5	162.3	-66.9	0	0	0	0	109	N436 S501 A506 Q508 L509 K510	N436-C454 WeakPolarHBondContact OD1-CA 3.48Å; C454-S501 WeakPolarHBondContact CB-OG 3.39Å; C454-S501 PolarHBondContact SG-OG 2.82Å; C454-A506 HydrophobicContact CB-CB 4.44Å; C454-A506 VanDerWaalsContact SG-CB 3.52Å; C454-Q508 PolarHBondContact N-O 3.27Å; C454-L509 HydrophobicContact CB-CD1 4.14Å; C454-K510 PolarHBondContact O-N 2.81Å
455	I	97.7	Very high	86	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.7	-178.7	-56.2	176.1	0	0	0	108.3	Y243 M369 L370 N436 V453 K510	Y243-I455 HydrophobicContact CD2-CD1 4.05Å; Y243-I455 HydrophobicContact CE2-CD1 4.45Å; M369-I455 HydrophobicContact CB-CD1 4.06Å; M369-I455 HydrophobicContact CB-CG2 4.43Å; M369-I455 HydrophobicContact CE-CG2 4.15Å; M369-I455 HydrophobicContact SD-CG2 3.72Å; L370-I455 HydrophobicContact CD2-CD1 3.68Å; L370-I455 HydrophobicContact CG-CD1 4.3Å; N436-I455 HydrophobicContact CB-CB 4.39Å; N436-I455 HydrophobicContact CB-CG1 4.33Å; N436-I455 PolarHBondContact OD1-N 3.24Å; V453-I455 HydrophobicContact CG1-CG1 3.9Å; I455-K510 WeakPolarHBondContact CA-O 3.48Å
456	R	97.5	Very high	87.5	Confident	35 Å²	35	46.9 Å²	46.9	13%	0.132	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.3	178.7	-60	-67.8	-178.9	173.8	-4.1	111	N362 W497 L509 K510 L511 G512	N362-R456 WeakPolarHBondContact OD1-CA 3.4Å; R456-W497 HydrophobicContact CB-CD2 3.75Å; R456-W497 HydrophobicContact CB-CE3 3.57Å; R456-W497 HydrophobicContact CB-CG 4.32Å; R456-W497 HydrophobicContact CB-CH2 4.25Å; R456-W497 HydrophobicContact CB-CZ2 4.38Å; R456-W497 HydrophobicContact CB-CZ3 3.85Å; R456-W497 HydrophobicContact CG-CB 4.12Å; R456-W497 HydrophobicContact CG-CD2 3.73Å; R456-W497 HydrophobicContact CG-CE3 4.05Å; R456-W497 HydrophobicContact CG-CG 3.77Å; R456-L509 HydrophobicContact CG-CD1 4.09Å; R456-K510 PolarHBondContact N-O 3.31Å; R456-L511 HydrophobicContact CB-CD2 4.05Å; R456-L511 CarbonylContact O-C 3.59Å; R456-L511 WeakPolarHBondContact O-CA 3.39Å; R456-G512 PolarHBondContact O-N 3.24Å
457	A	97.6	Very high	89.1	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120	-176.6	0	0	0	0	0	112.1	I361 N362 L365 W497 V514	I361-A457 HydrophobicContact CG2-CB 3.75Å; N362-A457 HydrophobicContact CB-CB 4.19Å; N362-A457 PolarHBondContact OD1-N 2.72Å; L365-A457 HydrophobicContact CB-CB 4.08Å; L365-A457 HydrophobicContact CD2-CB 3.39Å; L365-A457 HydrophobicContact CG-CB 4.35Å; A457-W497 WeakPolarHBondContact O-CH2 3.18Å; A457-V514 HydrophobicContact CB-CG2 4.43Å
458	L	97.4	Very high	90.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.6	161	-69.9	169.3	0	0	0	109	W471 E486 L494 W497 L511 G512 F513 V514	L458-W471 HydrophobicContact CB-CH2 3.76Å; L458-E486 HydrophobicContact CD1-CB 4.35Å; L458-E486 HydrophobicContact CD1-CG 4.3Å; L458-L494 HydrophobicContact CD1-CD2 4.42Å; L458-L494 HydrophobicContact CD2-CD2 3.89Å; L458-L494 HydrophobicContact CD2-CG 4.3Å; L458-L494 HydrophobicContact CG-CD2 4.49Å; L458-W497 HydrophobicContact CD2-CZ3 3.95Å; L458-W497 HydrophobicContact CG-CZ3 4.33Å; L458-L511 HydrophobicContact CD1-CD1 4.12Å; L458-G512 PolarHBondContact N-O 3.35Å; L458-F513 HydrophobicContact CD1-CD1 4.41Å; L458-F513 HydrophobicContact CD1-CE1 3.91Å; L458-F513 HydrophobicContact CD1-CZ 4.37Å; L458-V514 PolarHBondContact O-N 3.11Å
459	N	96.2	Very high	92.3	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.3	-176.9	66.5	-55.9	0	0	0	112.4	V333 I361 K493 V514	V333-N459 WeakPolarHBondContact CG2-ND2 3.36Å; I361-N459 HydrophobicContact CD1-CB 3.84Å; N459-K493 PolarHBondContact OD1-NZ 3.37Å; N459-V514 CarbonylContact C-O 3.54Å; N459-V514 VanDerWaalsContact CA-O 3.26Å; N459-V514 WeakPolarHBondContact CA-O 3.37Å
460	E	96.2	Very high	92.9	Very high	16 Å²	16	34.7 Å²	34.7	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.1	169	-177.8	-169.8	-130	0	0	109.1	S463 D470 W471 V514 S515 R516	E460-S463 WeakPolarHBondContact OE1-CB 3.23Å; E460-D470 WeakPolarHBondContact OE1-CA 3.46Å; E460-W471 HydrophobicContact CB-CD2 3.69Å; E460-W471 HydrophobicContact CB-CE3 3.65Å; E460-W471 HydrophobicContact CB-CG 4.34Å; E460-W471 HydrophobicContact CB-CH2 3.87Å; E460-W471 HydrophobicContact CB-CZ2 3.9Å; E460-W471 HydrophobicContact CB-CZ3 3.74Å; E460-W471 HydrophobicContact CG-CD2 4.26Å; E460-W471 HydrophobicContact CG-CG 4.43Å; E460-W471 PolarHBondContact OE1-N 2.81Å; E460-V514 PolarHBondContact N-O 2.79Å; E460-S515 WeakPolarHBondContact O-CA 3.28Å; E460-S515 VanDerWaalsContact OE2-CB 3.28Å; E460-S515 WeakPolarHBondContact OE2-CB 3.36Å; E460-S515 PolarHBondContact OE2-OG 3.25Å; E460-R516 PolarHBondContact O-N 2.87Å; E460-R516 VanDerWaalsContact O-N 3.16Å
461	F	94.2	Very high	93.3	Very high	10 Å²	10	32.9 Å²	32.9	4%	0.044	18%	0.178	C	C	.	.	S	Bend	trans	-90.7	-53.8	175.8	64.8	-84.1	0	0	0	111.2	V333 L354 Y465 P519	V333-F461 HydrophobicContact CG1-CD1 3.8Å; V333-F461 HydrophobicContact CG1-CE1 3.82Å; L354-F461 HydrophobicContact CD1-CD1 4.42Å; L354-F461 HydrophobicContact CD1-CD2 4.39Å; L354-F461 HydrophobicContact CD1-CE1 4.38Å; L354-F461 HydrophobicContact CD1-CE2 4.36Å; L354-F461 HydrophobicContact CD1-CG 4.44Å; L354-F461 HydrophobicContact CD1-CZ 4.35Å; L354-F461 HydrophobicContact CD2-CB 3.69Å; L354-F461 HydrophobicContact CD2-CD1 4.15Å; L354-F461 HydrophobicContact CD2-CD2 4.01Å; L354-F461 HydrophobicContact CD2-CG 3.68Å; F461-Y465 HydrophobicContact CE2-CG 4.22Å; F461-P519 WeakPolarHBondContact O-CA 3.22Å
462	D	92.6	Very high	93.3	Very high	9 Å²	9	32 Å²	32	5%	0.048	17%	0.171	C	C	.	.			trans	-152.9	113.9	176.1	-170.9	-24.2	0	0	0	110.3	R464 Y465 P519	D462-R464 PolarHBondContact O-N 2.7Å; D462-R464 VanDerWaalsContact O-N 3.11Å; D462-R464 WeakPolarHBondContact OD1-CB 3.49Å; D462-R464 WeakPolarHBondContact OD1-CG 3.47Å; D462-R464 IonicContact OD1-CZ 2.86Å; D462-R464 PolarHBondContact OD1-N 3.04Å; D462-R464 IonicContact OD1-NE 3.4Å; D462-R464 PolarHBondContact OD1-NE 3.29Å; D462-R464 IonicContact OD1-NH2 3.92Å; D462-R464 IonicContact OD2-CZ 3.75Å; D462-R464 IonicContact OD2-NE 2.66Å; D462-R464 PolarHBondContact OD2-NE 3.44Å; D462-R464 IonicContact OD2-NH2 3.83Å; D462-R464 PolarHBondContact OD2-NH2 3.39Å; D462-Y465 HydrophobicContact CB-CD2 3.75Å; D462-Y465 HydrophobicContact CB-CE2 4.29Å; D462-Y465 PolarHBondContact O-N 2.97Å; D462-Y465 WeakPolarHBondContact OD2-CE2 3.23Å; D462-P519 HydrophobicContact CB-CB 4.1Å
463	S	90.4	Very high	93.2	Very high	33 Å²	33	35.4 Å²	35.4	23%	0.231	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.9	-176	58.1	0	0	0	0	114.6	E460 Y465 G468	E460-S463 WeakPolarHBondContact OE1-CB 3.23Å; S463-Y465 VanDerWaalsContact C-N 3.31Å; S463-G468 CarbonylContact O-C 3.57Å
464	R	89.2	Confident	93.1	Very high	171 Å²	171	38.7 Å²	38.7	65%	0.645	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.1	178.4	-59.5	172	-67.8	-179.5	1.5	112.6	D462	D462-R464 PolarHBondContact O-N 2.7Å; D462-R464 VanDerWaalsContact O-N 3.11Å; D462-R464 WeakPolarHBondContact OD1-CB 3.49Å; D462-R464 WeakPolarHBondContact OD1-CG 3.47Å; D462-R464 IonicContact OD1-CZ 2.86Å; D462-R464 PolarHBondContact OD1-N 3.04Å; D462-R464 IonicContact OD1-NE 3.4Å; D462-R464 PolarHBondContact OD1-NE 3.29Å; D462-R464 IonicContact OD1-NH2 3.92Å; D462-R464 IonicContact OD2-CZ 3.75Å; D462-R464 IonicContact OD2-NE 2.66Å; D462-R464 PolarHBondContact OD2-NE 3.44Å; D462-R464 IonicContact OD2-NH2 3.83Å; D462-R464 PolarHBondContact OD2-NH2 3.39Å
465	Y	87.7	Confident	92.9	Very high	92 Å²	92	38.8 Å²	38.8	36%	0.361	21%	0.207	S	C	.	.	S	Bend	trans	-93.8	163	-178.7	-73	-100.4	0	0	0	111.6	E343 F461 D462 S463 G467 G468	E343-Y465 WeakPolarHBondContact OE1-CE1 3.35Å; F461-Y465 HydrophobicContact CE2-CG 4.22Å; D462-Y465 HydrophobicContact CB-CD2 3.75Å; D462-Y465 HydrophobicContact CB-CE2 4.29Å; D462-Y465 PolarHBondContact O-N 2.97Å; D462-Y465 WeakPolarHBondContact OD2-CE2 3.23Å; S463-Y465 VanDerWaalsContact C-N 3.31Å; Y465-G467 PolarHBondContact O-N 3Å; Y465-G468 PolarHBondContact O-N 3.32Å
466	C	88.1	Confident	92.6	Very high	19 Å²	19	41.3 Å²	41.3	13%	0.128	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	18.1	170.6	-57.9	0	0	0	0	116	C334 A337 E339 G468 N489	C334-C466 HydrophobicContact CB-CB 4.01Å; A337-C466 HydrophobicContact CB-CB 3.85Å; E339-C466 PolarHBondContact O-SG 3.34Å; E339-C466 VanDerWaalsContact O-SG 3.32Å; C466-G468 VanDerWaalsContact C-N 3.28Å; C466-N489 PolarHBondContact O-ND2 2.85Å; C466-N489 PolarHBondContact O-OD1 2.96Å
467	G	84.4	Confident	92.4	Very high	69 Å²	69	44.7 Å²	44.7	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	33.2	-172.1	0	0	0	0	0	113.1	Y465	Y465-G467 PolarHBondContact O-N 3Å
468	G	84.3	Confident	92.1	Very high	28 Å²	28	49 Å²	49	29%	0.289	27%	0.265	S	S	.	.			trans	-63.9	169.8	177.3	0	0	0	0	0	113.5	S463 Y465 C466	S463-G468 CarbonylContact O-C 3.57Å; Y465-G468 PolarHBondContact O-N 3.32Å; C466-G468 VanDerWaalsContact C-N 3.28Å
469	V	91.9	Very high	91.9	Very high	39 Å²	39	54.6 Å²	54.6	24%	0.236	29%	0.286	C	S	.	.			trans	-123.3	134.4	175.7	176.6	0	0	0	0	106.1	W471 K474 V482 A485	V469-W471 PolarHBondContact O-N 2.9Å; V469-K474 HydrophobicContact CG1-CB 3.7Å; V469-K474 HydrophobicContact CG1-CG 3.46Å; V469-K474 VanDerWaalsContact CG1-CG 3.46Å; V469-V482 HydrophobicContact CG1-CG2 4.24Å; V469-A485 HydrophobicContact CG2-CB 3.94Å
470	D	94	Very high	91.7	Very high	52 Å²	52	56.9 Å²	56.9	28%	0.278	31%	0.311	S	S	.	.			trans	-68	113.5	177.1	167.2	37	0	0	0	111.2	E460 R472 T473 K474	E460-D470 WeakPolarHBondContact OE1-CA 3.46Å; D470-R472 PolarHBondContact O-N 3.15Å; D470-R472 PolarHBondContact OD1-N 3.42Å; D470-T473 PolarHBondContact O-OG1 3.23Å; D470-T473 WeakPolarHBondContact OD2-CB 3.37Å; D470-T473 WeakPolarHBondContact OD2-CG2 3.27Å; D470-T473 PolarHBondContact OD2-OG1 3.12Å; D470-K474 WeakPolarHBondContact O-CB 3.5Å; D470-K474 WeakPolarHBondContact O-CG 3.36Å; D470-K474 PolarHBondContact O-N 3.12Å; D470-K474 VanDerWaalsContact O-N 3.16Å
471	W	96.3	Very high	91.5	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-36.5	-174.1	-68.6	6.3	0	0	0	112.2	L458 E460 V469 T473 K474 L475 V482 E486 F513 V514 L528	L458-W471 HydrophobicContact CB-CH2 3.76Å; E460-W471 HydrophobicContact CB-CD2 3.69Å; E460-W471 HydrophobicContact CB-CE3 3.65Å; E460-W471 HydrophobicContact CB-CG 4.34Å; E460-W471 HydrophobicContact CB-CH2 3.87Å; E460-W471 HydrophobicContact CB-CZ2 3.9Å; E460-W471 HydrophobicContact CB-CZ3 3.74Å; E460-W471 HydrophobicContact CG-CD2 4.26Å; E460-W471 HydrophobicContact CG-CG 4.43Å; E460-W471 PolarHBondContact OE1-N 2.81Å; V469-W471 PolarHBondContact O-N 2.9Å; W471-T473 PolarHBondContact O-N 3.03Å; W471-K474 PolarHBondContact O-N 2.83Å; W471-L475 HydrophobicContact CB-CD1 4.45Å; W471-L475 WeakPolarHBondContact O-CB 3.5Å; W471-L475 PolarHBondContact O-N 3.28Å; W471-V482 VanDerWaalsContact CD1-CG1 3.49Å; W471-V482 HydrophobicContact CD2-CG1 4.26Å; W471-V482 HydrophobicContact CG-CG1 4.05Å; W471-E486 HydrophobicContact CZ2-CG 3.9Å; W471-F513 HydrophobicContact CD2-CD1 4.28Å; W471-F513 HydrophobicContact CE3-CB 3.79Å; W471-F513 AromaticContact CE3-CD1 4Å; W471-F513 HydrophobicContact CE3-CD1 4Å; W471-F513 HydrophobicContact CE3-CG 4.4Å; W471-F513 HydrophobicContact CH2-CD1 4.07Å; W471-F513 HydrophobicContact CZ2-CD1 4.34Å; W471-F513 HydrophobicContact CZ3-CB 3.76Å; W471-F513 AromaticContact CZ3-CD1 3.89Å; W471-F513 HydrophobicContact CZ3-CD1 3.89Å; W471-F513 HydrophobicContact CZ3-CG 4.32Å; W471-V514 VanDerWaalsContact CZ3-O 3.3Å; W471-V514 WeakPolarHBondContact CZ3-O 3.45Å; W471-L528 HydrophobicContact CB-CD1 3.72Å; W471-L528 HydrophobicContact CE3-CD1 4.35Å
472	R	94.4	Very high	91.6	Very high	75 Å²	75	57.7 Å²	57.7	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-36.1	-177.7	-71.5	-175.8	174.6	81	-3.6	112.3	T252 D470 S515 R516 V526 L528	T252-R472 PolarHBondContact OG1-O 2.93Å; D470-R472 PolarHBondContact O-N 3.15Å; D470-R472 PolarHBondContact OD1-N 3.42Å; R472-S515 PolarHBondContact NH1-OG 2.9Å; R472-R516 PolarHBondContact NH1-O 3.02Å; R472-R516 PolarHBondContact NH2-O 3.18Å; R472-V526 VanDerWaalsContact NH2-CG2 3.26Å; R472-L528 HydrophobicContact CG-CD1 3.96Å; R472-L528 HydrophobicContact CG-CD2 4.12Å
473	T	93.2	Very high	91.7	Very high	84 Å²	84	57.8 Å²	57.8	52%	0.515	32%	0.323	S	S	.	.	H	α-helix	trans	-86.5	-28.5	178	54.6	0	0	0	0	113.7	D470 W471 T477	D470-T473 PolarHBondContact O-OG1 3.23Å; D470-T473 WeakPolarHBondContact OD2-CB 3.37Å; D470-T473 WeakPolarHBondContact OD2-CG2 3.27Å; D470-T473 PolarHBondContact OD2-OG1 3.12Å; W471-T473 PolarHBondContact O-N 3.03Å; T473-T477 PolarHBondContact O-OG1 3.3Å
474	K	94.2	Very high	91.8	Very high	69 Å²	69	58.9 Å²	58.9	30%	0.3	33%	0.334	S	S	.	.	H	α-helix	trans	-109	-20.5	-168.7	-63	-57.5	-164.4	162.9	0	115.7	V469 D470 W471 D476 T477 Q478 V482	V469-K474 HydrophobicContact CG1-CB 3.7Å; V469-K474 HydrophobicContact CG1-CG 3.46Å; V469-K474 VanDerWaalsContact CG1-CG 3.46Å; D470-K474 WeakPolarHBondContact O-CB 3.5Å; D470-K474 WeakPolarHBondContact O-CG 3.36Å; D470-K474 PolarHBondContact O-N 3.12Å; D470-K474 VanDerWaalsContact O-N 3.16Å; W471-K474 PolarHBondContact O-N 2.83Å; K474-D476 PolarHBondContact O-N 3.05Å; K474-T477 PolarHBondContact O-N 3.24Å; K474-Q478 HydrophobicContact CB-CB 4.48Å; K474-Q478 HydrophobicContact CD-CB 4.46Å; K474-Q478 CarbonylContact O-C 3.58Å; K474-Q478 VanDerWaalsContact O-CA 3.25Å; K474-Q478 WeakPolarHBondContact O-CA 3.36Å; K474-Q478 PolarHBondContact O-N 2.8Å; K474-V482 HydrophobicContact CB-CG2 3.78Å
475	L	93.1	Very high	92.1	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-38.8	-174.9	-165.7	154.8	0	0	0	111.7	T252 W471 R479 F513 L528	T252-L475 HydrophobicContact CG2-CB 3.81Å; T252-L475 HydrophobicContact CG2-CD2 4.35Å; W471-L475 HydrophobicContact CB-CD1 4.45Å; W471-L475 WeakPolarHBondContact O-CB 3.5Å; W471-L475 PolarHBondContact O-N 3.28Å; L475-R479 WeakPolarHBondContact O-CG 3.38Å; L475-R479 PolarHBondContact O-NE 2.7Å; L475-F513 HydrophobicContact CD1-CB 3.5Å; L475-F513 HydrophobicContact CD1-CD1 3.9Å; L475-F513 HydrophobicContact CD1-CD2 3.97Å; L475-F513 HydrophobicContact CD1-CG 3.52Å; L475-L528 HydrophobicContact CD1-CB 4.16Å
476	D	91.3	Very high	92.5	Very high	52 Å²	52	47.6 Å²	47.6	28%	0.278	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-30.9	178.7	-77.7	-11.9	0	0	0	113.9	T252 K474 R479	T252-D476 PolarHBondContact OG1-OD2 3.08Å; K474-D476 PolarHBondContact O-N 3.05Å; D476-R479 IonicContact OD1-NH2 4Å
477	T	92.9	Very high	92.8	Very high	106 Å²	106	48.5 Å²	48.5	65%	0.65	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-29	-172.6	57.1	0	0	0	0	113.9	T473 K474	T473-T477 PolarHBondContact O-OG1 3.3Å; K474-T477 PolarHBondContact O-N 3.24Å
478	Q	92.2	Very high	93.3	Very high	91 Å²	91	51 Å²	51	43%	0.425	29%	0.289	S	S	.	.			trans	-141.8	48.1	-169	-62.3	-173.2	-17.9	0	0	111.5	K474 G480 A481 V482	K474-Q478 HydrophobicContact CB-CB 4.48Å; K474-Q478 HydrophobicContact CD-CB 4.46Å; K474-Q478 CarbonylContact O-C 3.58Å; K474-Q478 VanDerWaalsContact O-CA 3.25Å; K474-Q478 WeakPolarHBondContact O-CA 3.36Å; K474-Q478 PolarHBondContact O-N 2.8Å; Q478-G480 PolarHBondContact O-N 3.46Å; Q478-G480 VanDerWaalsContact O-N 3.14Å; Q478-A481 HydrophobicContact CB-CB 4Å; Q478-A481 WeakPolarHBondContact O-CB 3.32Å; Q478-A481 PolarHBondContact O-N 2.94Å; Q478-V482 PolarHBondContact O-N 3.39Å
479	R	92.4	Very high	93.9	Very high	119 Å²	119	49.9 Å²	49.9	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-45	-46.4	176.8	-68.6	-176.2	-176.8	-176.8	-1.8	113.4	L475 D476 A481 V482 L483	L475-R479 WeakPolarHBondContact O-CG 3.38Å; L475-R479 PolarHBondContact O-NE 2.7Å; D476-R479 IonicContact OD1-NH2 4Å; R479-A481 VanDerWaalsContact C-N 3.28Å; R479-A481 PolarHBondContact O-N 3.2Å; R479-V482 PolarHBondContact O-N 3.2Å; R479-L483 WeakPolarHBondContact O-CB 3.31Å; R479-L483 PolarHBondContact O-N 3.05Å
480	G	92.4	Very high	94.1	Very high	53 Å²	53	48.1 Å²	48.1	55%	0.546	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-30.9	179.9	0	0	0	0	0	113.8	Q478 A484	Q478-G480 PolarHBondContact O-N 3.46Å; Q478-G480 VanDerWaalsContact O-N 3.14Å; G480-A484 WeakPolarHBondContact O-CB 3.35Å; G480-A484 PolarHBondContact O-N 3.31Å
481	A	93.1	Very high	94.2	Very high	44 Å²	44	45.8 Å²	45.8	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-73.6	-40.9	177.1	0	0	0	0	0	111.6	Q478 R479 A484 A485	Q478-A481 HydrophobicContact CB-CB 4Å; Q478-A481 WeakPolarHBondContact O-CB 3.32Å; Q478-A481 PolarHBondContact O-N 2.94Å; R479-A481 VanDerWaalsContact C-N 3.28Å; R479-A481 PolarHBondContact O-N 3.2Å; A481-A484 PolarHBondContact O-N 3.19Å; A481-A485 PolarHBondContact O-N 2.9Å
482	V	95	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-52	173.4	175.3	0	0	0	0	109.7	V469 W471 K474 Q478 R479 A484 A485 E486 F513	V469-V482 HydrophobicContact CG1-CG2 4.24Å; W471-V482 VanDerWaalsContact CD1-CG1 3.49Å; W471-V482 HydrophobicContact CD2-CG1 4.26Å; W471-V482 HydrophobicContact CG-CG1 4.05Å; K474-V482 HydrophobicContact CB-CG2 3.78Å; Q478-V482 PolarHBondContact O-N 3.39Å; R479-V482 PolarHBondContact O-N 3.2Å; V482-A484 VanDerWaalsContact C-N 3.34Å; V482-A484 PolarHBondContact O-N 3.09Å; V482-A485 WeakPolarHBondContact O-CB 3.31Å; V482-A485 PolarHBondContact O-N 2.77Å; V482-A485 VanDerWaalsContact O-N 3.16Å; V482-E486 WeakPolarHBondContact O-CG 3.45Å; V482-E486 PolarHBondContact O-N 3.08Å; V482-F513 HydrophobicContact CG1-CD1 4.28Å; V482-F513 HydrophobicContact CG1-CE1 3.94Å
483	L	94.6	Very high	94.3	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-42.5	178.4	-173.7	66.5	0	0	0	112.2	R479 A485 E486 I487 F533 F538	R479-L483 WeakPolarHBondContact O-CB 3.31Å; R479-L483 PolarHBondContact O-N 3.05Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 2.88Å; L483-E486 PolarHBondContact O-N 3.08Å; L483-I487 HydrophobicContact CD2-CD1 4.48Å; L483-I487 HydrophobicContact CG-CD1 3.93Å; L483-I487 HydrophobicContact CG-CG1 4.36Å; L483-I487 WeakPolarHBondContact O-CG1 3.23Å; L483-I487 PolarHBondContact O-N 3.01Å; L483-F533 HydrophobicContact CD1-CZ 4.36Å; L483-F533 HydrophobicContact CD2-CE1 4.09Å; L483-F533 HydrophobicContact CD2-CZ 3.65Å; L483-F538 HydrophobicContact CD1-CE2 4.14Å; L483-F538 HydrophobicContact CD1-CZ 4.31Å; L483-F538 HydrophobicContact CD2-CE2 4.3Å
484	A	94	Very high	94.5	Very high	57 Å²	57	40.1 Å²	40.1	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-36.3	177.6	0	0	0	0	0	113	G480 A481 V482 K488	G480-A484 WeakPolarHBondContact O-CB 3.35Å; G480-A484 PolarHBondContact O-N 3.31Å; A481-A484 PolarHBondContact O-N 3.19Å; V482-A484 VanDerWaalsContact C-N 3.34Å; V482-A484 PolarHBondContact O-N 3.09Å; A484-K488 PolarHBondContact O-N 3.28Å
485	A	94.8	Very high	94.7	Very high	16 Å²	16	36.8 Å²	36.8	13%	0.132	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-44.9	173.1	0	0	0	0	0	110.9	V469 A481 V482 L483 K488 N489	V469-A485 HydrophobicContact CG2-CB 3.94Å; A481-A485 PolarHBondContact O-N 2.9Å; V482-A485 WeakPolarHBondContact O-CB 3.31Å; V482-A485 PolarHBondContact O-N 2.77Å; V482-A485 VanDerWaalsContact O-N 3.16Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 2.88Å; A485-K488 WeakPolarHBondContact O-CB 3.44Å; A485-K488 PolarHBondContact O-N 3.36Å; A485-N489 WeakPolarHBondContact O-CB 3.48Å; A485-N489 PolarHBondContact O-N 2.92Å
486	E	95.3	Very high	94.9	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-41.8	177	-68.3	-50.5	121.9	0	0	112.8	L458 W471 V482 L483 K488 N489 N490 L494	L458-E486 HydrophobicContact CD1-CB 4.35Å; L458-E486 HydrophobicContact CD1-CG 4.3Å; W471-E486 HydrophobicContact CZ2-CG 3.9Å; V482-E486 WeakPolarHBondContact O-CG 3.45Å; V482-E486 PolarHBondContact O-N 3.08Å; L483-E486 PolarHBondContact O-N 3.08Å; E486-K488 PolarHBondContact O-N 2.71Å; E486-N489 PolarHBondContact O-N 3.27Å; E486-N490 WeakPolarHBondContact O-CA 3.21Å; E486-N490 WeakPolarHBondContact O-CB 3.46Å; E486-N490 PolarHBondContact O-N 3.06Å; E486-N490 PolarHBondContact OE2-ND2 3.11Å; E486-L494 HydrophobicContact CB-CD1 4.33Å
487	I	95.4	Very high	95.2	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.195	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-37.9	174.7	-68.5	171.7	0	0	0	111.2	L483 A491 L494 L542	L483-I487 HydrophobicContact CD2-CD1 4.48Å; L483-I487 HydrophobicContact CG-CD1 3.93Å; L483-I487 HydrophobicContact CG-CG1 4.36Å; L483-I487 WeakPolarHBondContact O-CG1 3.23Å; L483-I487 PolarHBondContact O-N 3.01Å; I487-A491 WeakPolarHBondContact O-CA 3.44Å; I487-A491 VanDerWaalsContact O-CB 3.29Å; I487-A491 WeakPolarHBondContact O-CB 3.48Å; I487-L494 HydrophobicContact CB-CD1 4.48Å; I487-L494 HydrophobicContact CG1-CD1 3.99Å; I487-L542 HydrophobicContact CB-CD2 4.26Å; I487-L542 HydrophobicContact CD1-CD2 3.81Å; I487-L542 HydrophobicContact CG1-CD2 3.52Å; I487-L542 HydrophobicContact CG2-CD2 3.87Å
488	K	94.8	Very high	95.4	Very high	122 Å²	122	30.5 Å²	30.5	53%	0.53	17%	0.174	S	C	.	.	H	α-helix	trans	-72.4	-43.9	177.8	-178	-174.4	173.2	-170.4	0	111.9	T336 A484 A485 E486	T336-K488 CarbonylContact C-O 3.58Å; T336-K488 PolarHBondContact OG1-O 2.86Å; A484-K488 PolarHBondContact O-N 3.28Å; A485-K488 WeakPolarHBondContact O-CB 3.44Å; A485-K488 PolarHBondContact O-N 3.36Å; E486-K488 PolarHBondContact O-N 2.71Å
489	N	95.9	Very high	95.7	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-83.8	-27.7	-171.8	-69.2	-14.6	0	0	0	113.2	C334 E335 T336 A337 C466 A485 E486	C334-N489 CarbonylContact C-O 3.51Å; C334-N489 VanDerWaalsContact CA-O 3.23Å; C334-N489 WeakPolarHBondContact CA-O 3.39Å; E335-N489 PolarHBondContact N-O 3.15Å; T336-N489 PolarHBondContact N-O 3.2Å; T336-N489 PolarHBondContact OG1-O 2.9Å; T336-N489 VanDerWaalsContact OG1-O 3.06Å; A337-N489 HydrophobicContact CB-CB 4.28Å; A337-N489 PolarHBondContact N-O 3.48Å; C466-N489 PolarHBondContact O-ND2 2.85Å; C466-N489 PolarHBondContact O-OD1 2.96Å; A485-N489 WeakPolarHBondContact O-CB 3.48Å; A485-N489 PolarHBondContact O-N 2.92Å; E486-N489 PolarHBondContact O-N 3.27Å
490	N	96.5	Very high	95.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	13%	0.134	C	C	.	.	S	Bend	trans	-124.9	39.3	-173.1	-70.9	-59.9	0	0	0	111.9	C334 T336 E486 F492 K493 L494	C334-N490 PolarHBondContact N-OD1 3.13Å; T336-N490 PolarHBondContact OG1-N 3.16Å; E486-N490 WeakPolarHBondContact O-CA 3.21Å; E486-N490 WeakPolarHBondContact O-CB 3.46Å; E486-N490 PolarHBondContact O-N 3.06Å; E486-N490 PolarHBondContact OE2-ND2 3.11Å; N490-F492 PolarHBondContact O-N 3.39Å; N490-K493 HydrophobicContact CB-CB 4.41Å; N490-K493 VanDerWaalsContact CG-CE 3.49Å; N490-K493 PolarHBondContact O-N 3.35Å; N490-K493 WeakPolarHBondContact OD1-CE 3.44Å; N490-K493 PolarHBondContact OD1-NZ 2.87Å; N490-L494 HydrophobicContact CB-CD1 4.44Å; N490-L494 WeakPolarHBondContact O-CB 3.46Å; N490-L494 PolarHBondContact O-N 3.46Å
491	A	96.6	Very high	96.2	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.033	11%	0.109	C	C	.	.	H	α-helix	trans	-65.1	-34.9	-167.9	0	0	0	0	0	114.2	R302 T336 I487 A495	R302-A491 WeakPolarHBondContact CD-O 3.29Å; T336-A491 HydrophobicContact CG2-CB 4.02Å; T336-A491 WeakPolarHBondContact OG1-CB 3.41Å; T336-A491 PolarHBondContact OG1-N 2.88Å; I487-A491 WeakPolarHBondContact O-CA 3.44Å; I487-A491 VanDerWaalsContact O-CB 3.29Å; I487-A491 WeakPolarHBondContact O-CB 3.48Å; A491-A495 WeakPolarHBondContact O-CB 3.46Å; A491-A495 PolarHBondContact O-N 3.03Å
492	F	96.4	Very high	96.3	Very high	28 Å²	28	18.6 Å²	18.6	12%	0.123	10%	0.103	C	C	.	.	H	α-helix	trans	-71.8	-51.4	177.3	-178.3	-122.9	0	0	0	110.8	M296 C299 R302 N490 L494 A495 G496	M296-F492 HydrophobicContact CB-CZ 4.47Å; M296-F492 HydrophobicContact CG-CZ 4.32Å; C299-F492 HydrophobicContact CB-CD2 4.04Å; C299-F492 HydrophobicContact CB-CE2 3.97Å; C299-F492 WeakPolarHBondContact O-CD2 3.45Å; R302-F492 HydrophobicContact CB-CB 4.16Å; R302-F492 HydrophobicContact CB-CD2 4.24Å; N490-F492 PolarHBondContact O-N 3.39Å; F492-L494 PolarHBondContact O-N 2.87Å; F492-A495 PolarHBondContact O-N 3.39Å; F492-G496 PolarHBondContact O-N 2.95Å
493	K	96.7	Very high	96.4	Very high	13 Å²	13	18.6 Å²	18.6	6%	0.057	10%	0.103	C	C	.	.	H	α-helix	trans	-50.9	-55.4	174.6	175.5	167.2	69.4	-177	0	113.4	V331 S332 N459 N490 A495 G496 W497	V331-K493 HydrophobicContact CG1-CD 3.23Å; V331-K493 HydrophobicContact CG1-CG 4.18Å; S332-K493 VanDerWaalsContact O-CD 3.31Å; S332-K493 WeakPolarHBondContact O-CD 3.47Å; S332-K493 VanDerWaalsContact O-CE 3.32Å; S332-K493 WeakPolarHBondContact O-CE 3.39Å; S332-K493 PolarHBondContact O-NZ 3.44Å; N459-K493 PolarHBondContact OD1-NZ 3.37Å; N490-K493 HydrophobicContact CB-CB 4.41Å; N490-K493 VanDerWaalsContact CG-CE 3.49Å; N490-K493 PolarHBondContact O-N 3.35Å; N490-K493 WeakPolarHBondContact OD1-CE 3.44Å; N490-K493 PolarHBondContact OD1-NZ 2.87Å; K493-A495 PolarHBondContact O-N 2.56Å; K493-G496 PolarHBondContact O-N 3.34Å; K493-W497 HydrophobicContact CD-CH2 3.48Å; K493-W497 VanDerWaalsContact CD-CH2 3.48Å; K493-W497 HydrophobicContact CD-CZ2 3.53Å; K493-W497 HydrophobicContact CD-CZ3 4.2Å; K493-W497 HydrophobicContact CG-CD2 4.05Å; K493-W497 HydrophobicContact CG-CE3 4.19Å; K493-W497 HydrophobicContact CG-CH2 3.64Å; K493-W497 HydrophobicContact CG-CZ2 3.5Å; K493-W497 VanDerWaalsContact CG-CZ2 3.5Å; K493-W497 HydrophobicContact CG-CZ3 4Å; K493-W497 PolarHBondContact O-N 3.48Å
494	L	97.5	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-38.2	-178.3	-78.8	170.9	0	0	0	112.6	L458 E486 I487 N490 F492 W497 T498 L511 F538 L542	L458-L494 HydrophobicContact CD1-CD2 4.42Å; L458-L494 HydrophobicContact CD2-CD2 3.89Å; L458-L494 HydrophobicContact CD2-CG 4.3Å; L458-L494 HydrophobicContact CG-CD2 4.49Å; E486-L494 HydrophobicContact CB-CD1 4.33Å; I487-L494 HydrophobicContact CB-CD1 4.48Å; I487-L494 HydrophobicContact CG1-CD1 3.99Å; N490-L494 HydrophobicContact CB-CD1 4.44Å; N490-L494 WeakPolarHBondContact O-CB 3.46Å; N490-L494 PolarHBondContact O-N 3.46Å; F492-L494 PolarHBondContact O-N 2.87Å; L494-W497 HydrophobicContact CD2-CE3 4.06Å; L494-W497 HydrophobicContact CD2-CZ3 4.24Å; L494-T498 WeakPolarHBondContact O-CB 3.08Å; L494-T498 PolarHBondContact O-N 2.71Å; L494-T498 VanDerWaalsContact O-N 3.12Å; L494-T498 PolarHBondContact O-OG1 3.43Å; L494-L511 HydrophobicContact CD2-CD1 4.25Å; L494-F538 HydrophobicContact CD2-CE1 4.22Å; L494-F538 HydrophobicContact CD2-CZ 4.16Å; L494-L542 HydrophobicContact CB-CD1 4.27Å; L494-L542 HydrophobicContact CB-CD2 4.19Å
495	A	97.4	Very high	96.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.5	-44.7	176	0	0	0	0	0	111.2	C299 A491 F492 K493 T498 V499	C299-A495 HydrophobicContact CB-CB 4.14Å; A491-A495 WeakPolarHBondContact O-CB 3.46Å; A491-A495 PolarHBondContact O-N 3.03Å; F492-A495 PolarHBondContact O-N 3.39Å; K493-A495 PolarHBondContact O-N 2.56Å; A495-T498 PolarHBondContact O-N 3.42Å; A495-V499 WeakPolarHBondContact O-CG2 3.32Å; A495-V499 PolarHBondContact O-N 2.87Å
496	G	97.1	Very high	96.5	Very high	12 Å²	12	16.4 Å²	16.4	12%	0.124	9%	0.089	C	C	.	.	H	α-helix	trans	-57.2	-51.8	177.3	0	0	0	0	0	112.1	F492 K493 T498 V499 C500	F492-G496 PolarHBondContact O-N 2.95Å; K493-G496 PolarHBondContact O-N 3.34Å; G496-T498 VanDerWaalsContact C-N 3.28Å; G496-T498 PolarHBondContact O-N 2.87Å; G496-V499 PolarHBondContact O-N 2.97Å; G496-V499 VanDerWaalsContact O-N 3.15Å; G496-C500 PolarHBondContact O-N 3.07Å; G496-C500 PolarHBondContact O-SG 2.89Å
497	W	97.7	Very high	96.6	Very high	19 Å²	19	19.3 Å²	19.3	7%	0.072	11%	0.105	C	C	.	.	H	α-helix	trans	-58.2	-40.2	176.8	-67.2	-15.4	0	0	0	113.4	V331 R456 A457 L458 K493 L494 C500 S501 L511	V331-W497 HydrophobicContact CG1-CH2 4.4Å; V331-W497 HydrophobicContact CG1-CZ2 3.77Å; R456-W497 HydrophobicContact CB-CD2 3.75Å; R456-W497 HydrophobicContact CB-CE3 3.57Å; R456-W497 HydrophobicContact CB-CG 4.32Å; R456-W497 HydrophobicContact CB-CH2 4.25Å; R456-W497 HydrophobicContact CB-CZ2 4.38Å; R456-W497 HydrophobicContact CB-CZ3 3.85Å; R456-W497 HydrophobicContact CG-CB 4.12Å; R456-W497 HydrophobicContact CG-CD2 3.73Å; R456-W497 HydrophobicContact CG-CE3 4.05Å; R456-W497 HydrophobicContact CG-CG 3.77Å; A457-W497 WeakPolarHBondContact O-CH2 3.18Å; L458-W497 HydrophobicContact CD2-CZ3 3.95Å; L458-W497 HydrophobicContact CG-CZ3 4.33Å; K493-W497 HydrophobicContact CD-CH2 3.48Å; K493-W497 VanDerWaalsContact CD-CH2 3.48Å; K493-W497 HydrophobicContact CD-CZ2 3.53Å; K493-W497 HydrophobicContact CD-CZ3 4.2Å; K493-W497 HydrophobicContact CG-CD2 4.05Å; K493-W497 HydrophobicContact CG-CE3 4.19Å; K493-W497 HydrophobicContact CG-CH2 3.64Å; K493-W497 HydrophobicContact CG-CZ2 3.5Å; K493-W497 VanDerWaalsContact CG-CZ2 3.5Å; K493-W497 HydrophobicContact CG-CZ3 4Å; K493-W497 PolarHBondContact O-N 3.48Å; L494-W497 HydrophobicContact CD2-CE3 4.06Å; L494-W497 HydrophobicContact CD2-CZ3 4.24Å; W497-C500 PolarHBondContact O-N 2.73Å; W497-S501 PolarHBondContact O-N 3.06Å; W497-S501 PolarHBondContact O-OG 3.49Å; W497-S501 VanDerWaalsContact O-OG 3.12Å; W497-L511 HydrophobicContact CE3-CD2 4.32Å
498	T	97.9	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66	-41.9	178.4	-52.8	0	0	0	0	111.3	L494 A495 G496 S501 I502 P535 F538 A539 L542	L494-T498 WeakPolarHBondContact O-CB 3.08Å; L494-T498 PolarHBondContact O-N 2.71Å; L494-T498 VanDerWaalsContact O-N 3.12Å; L494-T498 PolarHBondContact O-OG1 3.43Å; A495-T498 PolarHBondContact O-N 3.42Å; G496-T498 VanDerWaalsContact C-N 3.28Å; G496-T498 PolarHBondContact O-N 2.87Å; T498-S501 PolarHBondContact O-N 2.92Å; T498-I502 HydrophobicContact CG2-CD1 4.18Å; T498-I502 VanDerWaalsContact O-CG1 3.31Å; T498-I502 WeakPolarHBondContact O-CG1 3.25Å; T498-I502 PolarHBondContact O-N 2.75Å; T498-P535 WeakPolarHBondContact CG2-O 3.16Å; T498-F538 HydrophobicContact CG2-CB 4.41Å; T498-F538 HydrophobicContact CG2-CD1 4.08Å; T498-F538 WeakPolarHBondContact OG1-CD1 3.4Å; T498-F538 WeakPolarHBondContact OG1-CE1 3.19Å; T498-A539 HydrophobicContact CG2-CB 3.87Å; T498-L542 HydrophobicContact CG2-CD1 4.34Å; T498-L542 WeakPolarHBondContact OG1-CD1 3.25Å
499	V	97.6	Very high	96.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.3	-48.4	174.4	171	0	0	0	0	110.7	A295 M298 C299 A495 G496 S501 I502 L503 L544 M546	A295-V499 HydrophobicContact CB-CB 4.04Å; A295-V499 HydrophobicContact CB-CG1 3.87Å; M298-V499 HydrophobicContact CB-CG1 4.33Å; M298-V499 HydrophobicContact CG-CG1 4.48Å; M298-V499 HydrophobicContact SD-CG1 3.44Å; M298-V499 WeakPolarHBondContact SD-CG1 3.4Å; C299-V499 VanDerWaalsContact SG-CG2 3.53Å; A495-V499 WeakPolarHBondContact O-CG2 3.32Å; A495-V499 PolarHBondContact O-N 2.87Å; G496-V499 PolarHBondContact O-N 2.97Å; G496-V499 VanDerWaalsContact O-N 3.15Å; V499-S501 VanDerWaalsContact C-N 3.29Å; V499-S501 PolarHBondContact O-N 3.48Å; V499-I502 PolarHBondContact O-N 3.43Å; V499-L503 HydrophobicContact CG1-CD1 3.7Å; V499-L503 HydrophobicContact CG1-CG 3.98Å; V499-L503 WeakPolarHBondContact O-CG 3.09Å; V499-L503 PolarHBondContact O-N 2.66Å; V499-L544 HydrophobicContact CG2-CD2 3.57Å; V499-M546 HydrophobicContact CG2-SD 4.48Å
500	C	97.3	Very high	96.8	Very high	7 Å²	7	13.3 Å²	13.3	5%	0.047	8%	0.078	C	C	.	.	H	α-helix	trans	-55	-45.3	176.6	-62.7	0	0	0	0	111.4	A295 G496 W497 I502 L503 S504	A295-C500 VanDerWaalsContact CB-SG 3.5Å; G496-C500 PolarHBondContact O-N 3.07Å; G496-C500 PolarHBondContact O-SG 2.89Å; W497-C500 PolarHBondContact O-N 2.73Å; C500-I502 VanDerWaalsContact C-N 3.33Å; C500-I502 PolarHBondContact O-N 2.76Å; C500-L503 PolarHBondContact O-N 3.08Å; C500-S504 WeakPolarHBondContact O-CB 3.19Å; C500-S504 PolarHBondContact O-N 2.76Å; C500-S504 PolarHBondContact O-OG 2.91Å
501	S	97.4	Very high	96.8	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-32.8	177	-61.5	0	0	0	0	114	C454 W497 T498 V499 S504 G505 A506	C454-S501 WeakPolarHBondContact CB-OG 3.39Å; C454-S501 PolarHBondContact SG-OG 2.82Å; W497-S501 PolarHBondContact O-N 3.06Å; W497-S501 PolarHBondContact O-OG 3.49Å; W497-S501 VanDerWaalsContact O-OG 3.12Å; T498-S501 PolarHBondContact O-N 2.92Å; V499-S501 VanDerWaalsContact C-N 3.29Å; V499-S501 PolarHBondContact O-N 3.48Å; S501-S504 PolarHBondContact O-OG 2.82Å; S501-G505 PolarHBondContact O-N 3.35Å; S501-A506 PolarHBondContact O-N 2.92Å
502	I	97	Very high	96.9	Very high	48 Å²	48	13 Å²	13	25%	0.246	8%	0.076	C	C	.	.	H	α-helix	trans	-71.3	-46.4	173.9	-68.8	168	0	0	0	110.2	T498 V499 C500 S504 G505 P535 A539 M546	T498-I502 HydrophobicContact CG2-CD1 4.18Å; T498-I502 VanDerWaalsContact O-CG1 3.31Å; T498-I502 WeakPolarHBondContact O-CG1 3.25Å; T498-I502 PolarHBondContact O-N 2.75Å; V499-I502 PolarHBondContact O-N 3.43Å; C500-I502 VanDerWaalsContact C-N 3.33Å; C500-I502 PolarHBondContact O-N 2.76Å; I502-S504 VanDerWaalsContact C-N 3.34Å; I502-S504 PolarHBondContact O-N 3.18Å; I502-G505 PolarHBondContact O-N 3.2Å; I502-G505 VanDerWaalsContact O-N 3.11Å; I502-P535 HydrophobicContact CD1-CB 4.49Å; I502-P535 HydrophobicContact CG1-CB 3.59Å; I502-A539 HydrophobicContact CD1-CB 3.96Å; I502-M546 HydrophobicContact CD1-CE 4.48Å; I502-M546 HydrophobicContact CD1-CG 4.24Å; I502-M546 HydrophobicContact CD1-SD 3.71Å; I502-M546 HydrophobicContact CG2-CE 4.01Å
503	L	97	Very high	96.9	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-40.3	179.6	-68	178.2	0	0	0	111.5	D291 A294 M298 R419 F421 I431 C433 V499 C500 G505 W550	D291-L503 HydrophobicContact CB-CD1 4.41Å; A294-L503 HydrophobicContact CB-CD1 3.82Å; M298-L503 HydrophobicContact CE-CD2 4.07Å; R419-L503 VanDerWaalsContact CD-O 3.27Å; R419-L503 WeakPolarHBondContact CD-O 3.03Å; R419-L503 PolarHBondContact NH1-O 2.87Å; F421-L503 HydrophobicContact CE1-CD2 4.16Å; F421-L503 HydrophobicContact CE2-CD2 4.42Å; F421-L503 HydrophobicContact CZ-CD2 3.87Å; I431-L503 HydrophobicContact CD1-CD1 4.32Å; I431-L503 HydrophobicContact CD1-CD2 4.18Å; C433-L503 VanDerWaalsContact SG-C 3.54Å; C433-L503 PolarHBondContact SG-O 3.19Å; C433-L503 VanDerWaalsContact SG-O 3.33Å; V499-L503 HydrophobicContact CG1-CD1 3.7Å; V499-L503 HydrophobicContact CG1-CG 3.98Å; V499-L503 WeakPolarHBondContact O-CG 3.09Å; V499-L503 PolarHBondContact O-N 2.66Å; C500-L503 PolarHBondContact O-N 3.08Å; L503-G505 PolarHBondContact O-N 3.37Å; L503-W550 HydrophobicContact CD2-CH2 3.7Å; L503-W550 HydrophobicContact CD2-CZ2 3.71Å
504	S	96	Very high	97	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.2	176.6	73.7	0	0	0	0	113.9	R417 C433 E434 C500 S501 I502 A506	R417-S504 PolarHBondContact NH1-O 2.63Å; C433-S504 VanDerWaalsContact CB-CA 3.41Å; E434-S504 VanDerWaalsContact O-CB 3.28Å; E434-S504 WeakPolarHBondContact O-CB 3.38Å; E434-S504 PolarHBondContact O-OG 2.99Å; C500-S504 WeakPolarHBondContact O-CB 3.19Å; C500-S504 PolarHBondContact O-N 2.76Å; C500-S504 PolarHBondContact O-OG 2.91Å; S501-S504 PolarHBondContact O-OG 2.82Å; I502-S504 VanDerWaalsContact C-N 3.34Å; I502-S504 PolarHBondContact O-N 3.18Å; S504-A506 VanDerWaalsContact C-N 3.31Å
505	G	94.8	Very high	96.9	Very high	27 Å²	27	11.5 Å²	11.5	28%	0.278	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	35.9	-175.7	0	0	0	0	0	111.8	R417 R419 S501 I502 L503	R417-G505 PolarHBondContact NH1-O 2.94Å; R419-G505 VanDerWaalsContact NH1-CA 3.3Å; R419-G505 VanDerWaalsContact NH1-N 3.13Å; S501-G505 PolarHBondContact O-N 3.35Å; I502-G505 PolarHBondContact O-N 3.2Å; I502-G505 VanDerWaalsContact O-N 3.11Å; L503-G505 PolarHBondContact O-N 3.37Å
506	A	95.1	Very high	96.9	Very high	9 Å²	9	11.6 Å²	11.6	7%	0.074	7%	0.07	C	C	.	.			trans	-72.3	135.7	173.8	0	0	0	0	0	110.7	V435 C454 S501 S504 P535	V435-A506 HydrophobicContact CG1-CB 4.47Å; C454-A506 HydrophobicContact CB-CB 4.44Å; C454-A506 VanDerWaalsContact SG-CB 3.52Å; S501-A506 PolarHBondContact O-N 2.92Å; S504-A506 VanDerWaalsContact C-N 3.31Å; A506-P535 WeakPolarHBondContact O-CG 3.45Å
507	D	95.5	Very high	96.8	Very high	72 Å²	72	14.1 Å²	14.1	39%	0.385	8%	0.083	S	C	.	.	S	Bend	trans	-72.8	-33.8	176.8	-62.5	-87.7	0	0	0	111.7	Q451 F452	Q451-D507 VanDerWaalsContact CA-OD2 3.23Å; Q451-D507 WeakPolarHBondContact CA-OD2 3.31Å; Q451-D507 HydrophobicContact CB-CB 4.25Å; F452-D507 PolarHBondContact N-OD2 3.4Å; F452-D507 PolarHBondContact O-N 3.16Å
508	Q	96.1	Very high	96.6	Very high	36 Å²	36	16.8 Å²	16.8	17%	0.168	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.4	-179.6	-59.8	-169.8	4.3	0	0	112.3	L439 F452 V453 C454 F533	L439-Q508 HydrophobicContact CD1-CG 4.19Å; F452-Q508 PolarHBondContact O-N 3.28Å; V453-Q508 WeakPolarHBondContact CA-O 3.41Å; V453-Q508 HydrophobicContact CG1-CB 4.45Å; V453-Q508 HydrophobicContact CG2-CB 4.37Å; C454-Q508 PolarHBondContact N-O 3.27Å; Q508-F533 WeakPolarHBondContact CA-O 3.45Å
509	L	97.6	Very high	96.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.5	160.1	171.9	61.5	0	0	0	107.8	C454 R456 L511 F533 P535 F538	C454-L509 HydrophobicContact CB-CD1 4.14Å; R456-L509 HydrophobicContact CG-CD1 4.09Å; L509-L511 HydrophobicContact CD1-CD2 4.05Å; L509-L511 HydrophobicContact CD2-CD2 4.29Å; L509-L511 HydrophobicContact CG-CD2 4.06Å; L509-L511 HydrophobicContact CG-CG 4.48Å; L509-F533 PolarHBondContact N-O 3.4Å; L509-F533 PolarHBondContact O-N 2.66Å; L509-P535 HydrophobicContact CB-CG 4.22Å; L509-F538 HydrophobicContact CD2-CD1 3.67Å; L509-F538 HydrophobicContact CD2-CE1 4.04Å
510	K	97.4	Very high	96.1	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.4	173.6	-73.5	-169.6	179.8	-88.2	0	110	Y243 D248 V453 C454 I455 R456 Q531 Q532	Y243-K510 HydrophobicContact CD1-CD 4.28Å; Y243-K510 HydrophobicContact CD2-CD 4.01Å; Y243-K510 HydrophobicContact CE1-CD 3.76Å; Y243-K510 HydrophobicContact CE2-CD 3.48Å; Y243-K510 VanDerWaalsContact CE2-CD 3.48Å; Y243-K510 HydrophobicContact CG-CD 4.38Å; Y243-K510 VanDerWaalsContact CZ-CE 3.41Å; D248-K510 IonicContact OD1-NZ 3.57Å; D248-K510 PolarHBondContact OD1-NZ 2.88Å; D248-K510 IonicContact OD2-NZ 3.6Å; D248-K510 PolarHBondContact OD2-NZ 2.93Å; V453-K510 HydrophobicContact CG1-CB 4.14Å; V453-K510 HydrophobicContact CG1-CD 3.94Å; V453-K510 HydrophobicContact CG1-CG 3.83Å; C454-K510 PolarHBondContact O-N 2.81Å; I455-K510 WeakPolarHBondContact CA-O 3.48Å; R456-K510 PolarHBondContact N-O 3.31Å; K510-Q531 WeakPolarHBondContact CA-O 3.47Å; K510-Q532 HydrophobicContact CG-CB 4.16Å
511	L	97.4	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.9	174.3	-58.7	-175.5	0	0	0	109.2	R456 L458 L494 W497 L509 T530 Q531 F533 F538	R456-L511 HydrophobicContact CB-CD2 4.05Å; R456-L511 CarbonylContact O-C 3.59Å; R456-L511 WeakPolarHBondContact O-CA 3.39Å; L458-L511 HydrophobicContact CD1-CD1 4.12Å; L494-L511 HydrophobicContact CD2-CD1 4.25Å; W497-L511 HydrophobicContact CE3-CD2 4.32Å; L509-L511 HydrophobicContact CD1-CD2 4.05Å; L509-L511 HydrophobicContact CD2-CD2 4.29Å; L509-L511 HydrophobicContact CG-CD2 4.06Å; L509-L511 HydrophobicContact CG-CG 4.48Å; L511-T530 CarbonylContact O-C 3.57Å; L511-T530 WeakPolarHBondContact O-CA 3.31Å; L511-Q531 PolarHBondContact N-O 3.42Å; L511-Q531 PolarHBondContact O-N 3.04Å; L511-F533 HydrophobicContact CD1-CD2 4.18Å; L511-F533 HydrophobicContact CD1-CE2 3.78Å; L511-F533 HydrophobicContact CG-CD2 4.33Å; L511-F533 HydrophobicContact CG-CE2 4.25Å; L511-F538 HydrophobicContact CD1-CE1 4.15Å; L511-F538 HydrophobicContact CD1-CZ 3.84Å
512	G	97.2	Very high	95.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.3	166.6	0	0	0	0	0	111.3	R456 L458	R456-G512 PolarHBondContact O-N 3.24Å; L458-G512 PolarHBondContact N-O 3.35Å
513	F	97.7	Very high	95.4	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	104.5	174.8	-66.3	-91.5	0	0	0	108.8	L458 W471 L475 V482 L528 G529 Q531	L458-F513 HydrophobicContact CD1-CD1 4.41Å; L458-F513 HydrophobicContact CD1-CE1 3.91Å; L458-F513 HydrophobicContact CD1-CZ 4.37Å; W471-F513 HydrophobicContact CD2-CD1 4.28Å; W471-F513 HydrophobicContact CE3-CB 3.79Å; W471-F513 AromaticContact CE3-CD1 4Å; W471-F513 HydrophobicContact CE3-CD1 4Å; W471-F513 HydrophobicContact CE3-CG 4.4Å; W471-F513 HydrophobicContact CH2-CD1 4.07Å; W471-F513 HydrophobicContact CZ2-CD1 4.34Å; W471-F513 HydrophobicContact CZ3-CB 3.76Å; W471-F513 AromaticContact CZ3-CD1 3.89Å; W471-F513 HydrophobicContact CZ3-CD1 3.89Å; W471-F513 HydrophobicContact CZ3-CG 4.32Å; L475-F513 HydrophobicContact CD1-CB 3.5Å; L475-F513 HydrophobicContact CD1-CD1 3.9Å; L475-F513 HydrophobicContact CD1-CD2 3.97Å; L475-F513 HydrophobicContact CD1-CG 3.52Å; V482-F513 HydrophobicContact CG1-CD1 4.28Å; V482-F513 HydrophobicContact CG1-CE1 3.94Å; F513-L528 PolarHBondContact O-N 3.37Å; F513-G529 PolarHBondContact N-O 3.49Å; F513-Q531 HydrophobicContact CE2-CB 3.81Å
514	V	97.7	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.1	-179.2	-176.4	0	0	0	0	109.9	L258 I361 L365 A457 L458 N459 E460 W471 H525 V526 I527	L258-V514 HydrophobicContact CD2-CG1 4.32Å; I361-V514 HydrophobicContact CD1-CG1 4.36Å; I361-V514 HydrophobicContact CG1-CG1 4.44Å; I361-V514 HydrophobicContact CG2-CB 3.7Å; I361-V514 HydrophobicContact CG2-CG1 3.68Å; I361-V514 HydrophobicContact CG2-CG2 3.79Å; L365-V514 HydrophobicContact CD1-CG2 3.96Å; L365-V514 HydrophobicContact CD2-CG2 4.16Å; A457-V514 HydrophobicContact CB-CG2 4.43Å; L458-V514 PolarHBondContact O-N 3.11Å; N459-V514 CarbonylContact C-O 3.54Å; N459-V514 VanDerWaalsContact CA-O 3.26Å; N459-V514 WeakPolarHBondContact CA-O 3.37Å; E460-V514 PolarHBondContact N-O 2.79Å; W471-V514 VanDerWaalsContact CZ3-O 3.3Å; W471-V514 WeakPolarHBondContact CZ3-O 3.45Å; V514-H525 HydrophobicContact CG1-CB 3.61Å; V514-V526 WeakPolarHBondContact CA-O 3.37Å; V514-I527 HydrophobicContact CG2-CG1 4.36Å
515	S	97	Very high	95.3	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.028	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.1	178.4	-179.1	0	0	0	0	110	E460 R472 H525 V526	E460-S515 WeakPolarHBondContact O-CA 3.28Å; E460-S515 VanDerWaalsContact OE2-CB 3.28Å; E460-S515 WeakPolarHBondContact OE2-CB 3.36Å; E460-S515 PolarHBondContact OE2-OG 3.25Å; R472-S515 PolarHBondContact NH1-OG 2.9Å; S515-H525 WeakPolarHBondContact O-CA 3.15Å; S515-V526 PolarHBondContact N-O 2.68Å; S515-V526 WeakPolarHBondContact O-CG2 3.19Å; S515-V526 PolarHBondContact O-N 3.37Å
516	R	97.1	Very high	95.4	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	146.3	167.4	-69	-180	-179.7	174.8	-0.2	109.9	I348 N349 E357 E460 R472 N518 P519 D521 R524	I348-R516 PolarHBondContact O-NH2 3.11Å; N349-R516 PolarHBondContact OD1-NH1 3.13Å; N349-R516 PolarHBondContact OD1-NH2 2.9Å; E357-R516 WeakPolarHBondContact OE1-CG 3.46Å; E357-R516 IonicContact OE1-CZ 2.92Å; E357-R516 IonicContact OE1-NE 3.05Å; E357-R516 PolarHBondContact OE1-NE 2.97Å; E357-R516 IonicContact OE1-NH2 3.34Å; E357-R516 IonicContact OE2-CZ 2.75Å; E357-R516 IonicContact OE2-NE 2.79Å; E357-R516 PolarHBondContact OE2-NE 3.41Å; E357-R516 IonicContact OE2-NH2 3.47Å; E357-R516 PolarHBondContact OE2-NH2 2.87Å; E460-R516 PolarHBondContact O-N 2.87Å; E460-R516 VanDerWaalsContact O-N 3.16Å; R472-R516 PolarHBondContact NH1-O 3.02Å; R472-R516 PolarHBondContact NH2-O 3.18Å; R516-N518 WeakPolarHBondContact CB-O 3.39Å; R516-P519 PolarHBondContact NH1-O 3.24Å; R516-D521 WeakPolarHBondContact CD-O 3.47Å; R516-R524 WeakPolarHBondContact CA-O 3.26Å
517	V	94.8	Very high	95.6	Very high	65 Å²	65	34.5 Å²	34.5	39%	0.394	18%	0.18	S	C	.	.	S	Bend	trans	-65.4	-45.6	173.1	174.3	0	0	0	0	110.2	R524 V526	V517-R524 HydrophobicContact CB-CB 4.3Å; V517-R524 HydrophobicContact CG2-CB 3.93Å; V517-R524 PolarHBondContact N-O 3.31Å; V517-V526 HydrophobicContact CG2-CG1 3.72Å; V517-V526 HydrophobicContact CG2-CG2 4.42Å
518	N	93.6	Very high	95.6	Very high	75 Å²	75	31.1 Å²	31.1	40%	0.401	16%	0.162	S	C	.	.	S	Bend	trans	-124.3	128.6	172.2	177.5	-6.1	0	0	0	107.4	R516 R520 D521	R516-N518 WeakPolarHBondContact CB-O 3.39Å; N518-R520 PolarHBondContact O-N 3.28Å; N518-R520 PolarHBondContact OD1-N 2.99Å; N518-D521 HydrophobicContact CB-CB 4.07Å; N518-D521 PolarHBondContact O-N 3.43Å; N518-D521 VanDerWaalsContact O-O 3.12Å
519	P	92.1	Very high	95.6	Very high	42 Å²	42	29.4 Å²	29.4	27%	0.273	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.5	-179.8	-28.9	35.7	0	0	0	115.1	F461 D462 R516	F461-P519 WeakPolarHBondContact O-CA 3.22Å; D462-P519 HydrophobicContact CB-CB 4.1Å; R516-P519 PolarHBondContact NH1-O 3.24Å
520	R	91.6	Very high	95.5	Very high	98 Å²	98	30.2 Å²	30.2	37%	0.37	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.4	177.7	-64.7	-178.9	175.6	162.4	-16.3	114.9	D82 N84 I348 N518	D82-R520 VanDerWaalsContact CG-NH1 3.32Å; D82-R520 VanDerWaalsContact CG-NH2 3.3Å; D82-R520 IonicContact OD1-CZ 3.56Å; D82-R520 IonicContact OD1-NE 3.51Å; D82-R520 IonicContact OD1-NH1 3.01Å; D82-R520 IonicContact OD1-NH2 3.1Å; D82-R520 PolarHBondContact OD1-NH2 3.36Å; D82-R520 WeakPolarHBondContact OD2-CD 3.4Å; D82-R520 IonicContact OD2-CZ 3.79Å; D82-R520 IonicContact OD2-NE 2.71Å; D82-R520 PolarHBondContact OD2-NE 3.22Å; D82-R520 IonicContact OD2-NH1 3.78Å; D82-R520 PolarHBondContact OD2-NH1 2.83Å; D82-R520 IonicContact OD2-NH2 2.89Å; D82-R520 PolarHBondContact OD2-NH2 3.22Å; N84-R520 PolarHBondContact ND2-NH1 2.89Å; N84-R520 PolarHBondContact OD1-NH2 3.03Å; I348-R520 VanDerWaalsContact CD1-O 3.31Å; I348-R520 WeakPolarHBondContact CD1-O 3.28Å; N518-R520 PolarHBondContact O-N 3.28Å; N518-R520 PolarHBondContact OD1-N 2.99Å
521	D	91.9	Very high	95.4	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.182	17%	0.169	C	C	.	.			trans	-119.1	109.4	-177	179.2	5.9	0	0	0	109.2	R516 N518 S523 R524	R516-D521 WeakPolarHBondContact CD-O 3.47Å; N518-D521 HydrophobicContact CB-CB 4.07Å; N518-D521 PolarHBondContact O-N 3.43Å; N518-D521 VanDerWaalsContact O-O 3.12Å; D521-S523 VanDerWaalsContact C-N 3.32Å; D521-S523 WeakPolarHBondContact OD1-CB 3.45Å; D521-S523 PolarHBondContact OD1-N 2.89Å; D521-S523 PolarHBondContact OD1-OG 3.05Å; D521-S523 PolarHBondContact OD2-OG 3.18Å; D521-R524 IonicContact OD2-CZ 3.58Å; D521-R524 IonicContact OD2-NE 3.77Å; D521-R524 PolarHBondContact OD2-NE 3.35Å; D521-R524 IonicContact OD2-NH2 2.73Å; D521-R524 PolarHBondContact OD2-NH2 3.38Å
522	S	93.1	Very high	95.3	Very high	45 Å²	45	37.3 Å²	37.3	32%	0.315	19%	0.192	S	C	.	.	S	Bend	trans	-86.3	0.8	178.9	60.9	0	0	0	0	113.7	H525	S522-H525 PolarHBondContact O-CE1 3.41Å; S522-H525 PolarHBondContact O-NE2 3.23Å
523	S	92.4	Very high	95.3	Very high	84 Å²	84	38.1 Å²	38.1	59%	0.587	20%	0.196	S	C	*	.	S	Bend	trans	-86.9	-24.2	-176.2	70.5	0	0	0	0	113.8	D521	D521-S523 VanDerWaalsContact C-N 3.32Å; D521-S523 WeakPolarHBondContact OD1-CB 3.45Å; D521-S523 PolarHBondContact OD1-N 2.89Å; D521-S523 PolarHBondContact OD1-OG 3.05Å; D521-S523 PolarHBondContact OD2-OG 3.18Å
524	R	94.3	Very high	95.3	Very high	142 Å²	142	43.4 Å²	43.4	54%	0.536	22%	0.219	S	C	.	.			trans	-125.7	128.2	-173.1	-69.3	-179.3	-63.1	172.3	-1.6	112.4	R516 V517 D521	R516-R524 WeakPolarHBondContact CA-O 3.26Å; V517-R524 HydrophobicContact CB-CB 4.3Å; V517-R524 HydrophobicContact CG2-CB 3.93Å; V517-R524 PolarHBondContact N-O 3.31Å; D521-R524 IonicContact OD2-CZ 3.58Å; D521-R524 IonicContact OD2-NE 3.77Å; D521-R524 PolarHBondContact OD2-NE 3.35Å; D521-R524 IonicContact OD2-NH2 2.73Å; D521-R524 PolarHBondContact OD2-NH2 3.38Å
525	H	97.4	Very high	95.2	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.1	-178.8	-48.6	88.7	0	0	0	112.3	L258 E357 V514 S515 S522	L258-H525 HydrophobicContact CB-CB 3.9Å; L258-H525 HydrophobicContact CD2-CB 3.94Å; L258-H525 PolarHBondContact N-O 3.24Å; E357-H525 IonicContact OE1-CD2 2.66Å; E357-H525 IonicContact OE1-CE1 2.85Å; E357-H525 IonicContact OE1-NE2 2.8Å; E357-H525 PolarHBondContact OE1-NE2 2.77Å; V514-H525 HydrophobicContact CG1-CB 3.61Å; S515-H525 WeakPolarHBondContact O-CA 3.15Å; S522-H525 PolarHBondContact O-CE1 3.41Å; S522-H525 PolarHBondContact O-NE2 3.23Å
526	V	97.3	Very high	95.2	Very high	10 Å²	10	47 Å²	47	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.4	175.9	-73.3	0	0	0	0	110.4	E255 R256 R472 V514 S515 V517 L528	E255-V526 HydrophobicContact CB-CB 4.44Å; R256-V526 CarbonylContact O-C 3.16Å; R256-V526 WeakPolarHBondContact O-CA 3.37Å; R472-V526 VanDerWaalsContact NH2-CG2 3.26Å; V514-V526 WeakPolarHBondContact CA-O 3.37Å; S515-V526 PolarHBondContact N-O 2.68Å; S515-V526 WeakPolarHBondContact O-CG2 3.19Å; S515-V526 PolarHBondContact O-N 3.37Å; V517-V526 HydrophobicContact CG2-CG1 3.72Å; V517-V526 HydrophobicContact CG2-CG2 4.42Å; V526-L528 HydrophobicContact CG2-CD2 4.01Å
527	I	97.7	Very high	95.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	112.6	174	-52.5	168.2	0	0	0	107.3	Y247 V250 E255 R256 L258 L365 V514	Y247-I527 HydrophobicContact CD1-CD1 4.41Å; Y247-I527 HydrophobicContact CE1-CD1 3.89Å; V250-I527 HydrophobicContact CG1-CG2 4.22Å; V250-I527 VanDerWaalsContact CG1-O 3.29Å; V250-I527 WeakPolarHBondContact CG1-O 3.21Å; E255-I527 WeakPolarHBondContact CA-O 3.42Å; E255-I527 WeakPolarHBondContact CB-O 3.33Å; R256-I527 PolarHBondContact N-O 3.11Å; R256-I527 VanDerWaalsContact N-O 3.17Å; R256-I527 PolarHBondContact O-N 2.98Å; L258-I527 HydrophobicContact CD1-CD1 4.25Å; L258-I527 HydrophobicContact CD1-CG1 4.21Å; L365-I527 HydrophobicContact CD1-CD1 3.58Å; L365-I527 HydrophobicContact CD1-CG1 3.81Å; L365-I527 HydrophobicContact CD1-CG2 4.45Å; V514-I527 HydrophobicContact CG2-CG1 4.36Å
528	L	96.8	Very high	95.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-20.5	-178	-64.3	-174.9	0	0	0	113	S251 T252 E255 W471 R472 L475 F513 V526	S251-L528 CarbonylContact C-O 3.57Å; S251-L528 WeakPolarHBondContact CA-O 3.4Å; T252-L528 HydrophobicContact CG2-CB 4.29Å; T252-L528 PolarHBondContact N-O 2.89Å; E255-L528 HydrophobicContact CB-CD2 4.22Å; E255-L528 VanDerWaalsContact OE2-CD2 3.28Å; E255-L528 WeakPolarHBondContact OE2-CD2 3.47Å; W471-L528 HydrophobicContact CB-CD1 3.72Å; W471-L528 HydrophobicContact CE3-CD1 4.35Å; R472-L528 HydrophobicContact CG-CD1 3.96Å; R472-L528 HydrophobicContact CG-CD2 4.12Å; L475-L528 HydrophobicContact CD1-CB 4.16Å; F513-L528 PolarHBondContact O-N 3.37Å; V526-L528 HydrophobicContact CG2-CD2 4.01Å
529	G	95.8	Very high	95.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	173.3	178.2	0	0	0	0	0	112.6	V250 F513	V250-G529 WeakPolarHBondContact O-CA 3.13Å; F513-G529 PolarHBondContact N-O 3.49Å
530	T	95.7	Very high	95.6	Very high	17 Å²	17	49.2 Å²	49.2	10%	0.104	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.3	177.4	59.9	0	0	0	0	109.9	Y247 D248 M369 L511	Y247-T530 PolarHBondContact O-OG1 3.18Å; D248-T530 WeakPolarHBondContact CA-OG1 3.35Å; M369-T530 HydrophobicContact CE-CG2 3.6Å; M369-T530 HydrophobicContact SD-CG2 4.18Å; L511-T530 CarbonylContact O-C 3.57Å; L511-T530 WeakPolarHBondContact O-CA 3.31Å
531	Q	95	Very high	95.7	Very high	46 Å²	46	49.6 Å²	49.6	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.5	175.3	-170.9	171	1.9	0	0	110.1	K510 L511 F513 F533	K510-Q531 WeakPolarHBondContact CA-O 3.47Å; L511-Q531 PolarHBondContact N-O 3.42Å; L511-Q531 PolarHBondContact O-N 3.04Å; F513-Q531 HydrophobicContact CE2-CB 3.81Å; Q531-F533 HydrophobicContact CB-CE2 4.02Å; Q531-F533 HydrophobicContact CB-CZ 4.49Å; Q531-F533 HydrophobicContact CG-CD2 4.29Å; Q531-F533 HydrophobicContact CG-CE1 4.39Å; Q531-F533 HydrophobicContact CG-CE2 3.5Å; Q531-F533 HydrophobicContact CG-CZ 3.59Å
532	Q	95.3	Very high	95.9	Very high	104 Å²	104	48.3 Å²	48.3	49%	0.486	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.4	179.1	70.3	-173.3	19.9	0	0	110.9	K510	K510-Q532 HydrophobicContact CG-CB 4.16Å
533	F	96.8	Very high	95.9	Very high	17 Å²	17	52.9 Å²	52.9	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.3	173.4	-59.7	-89.1	0	0	0	110.3	L483 Q508 L509 L511 Q531 F538	L483-F533 HydrophobicContact CD1-CZ 4.36Å; L483-F533 HydrophobicContact CD2-CE1 4.09Å; L483-F533 HydrophobicContact CD2-CZ 3.65Å; Q508-F533 WeakPolarHBondContact CA-O 3.45Å; L509-F533 PolarHBondContact N-O 3.4Å; L509-F533 PolarHBondContact O-N 2.66Å; L511-F533 HydrophobicContact CD1-CD2 4.18Å; L511-F533 HydrophobicContact CD1-CE2 3.78Å; L511-F533 HydrophobicContact CG-CD2 4.33Å; L511-F533 HydrophobicContact CG-CE2 4.25Å; Q531-F533 HydrophobicContact CB-CE2 4.02Å; Q531-F533 HydrophobicContact CB-CZ 4.49Å; Q531-F533 HydrophobicContact CG-CD2 4.29Å; Q531-F533 HydrophobicContact CG-CE1 4.39Å; Q531-F533 HydrophobicContact CG-CE2 3.5Å; Q531-F533 HydrophobicContact CG-CZ 3.59Å; F533-F538 HydrophobicContact CB-CB 3.88Å; F533-F538 HydrophobicContact CB-CD2 4.41Å; F533-F538 HydrophobicContact CB-CG 4.21Å; F533-F538 HydrophobicContact CD1-CB 4.4Å; F533-F538 AromaticContact CD1-CD2 3.67Å; F533-F538 HydrophobicContact CD1-CD2 3.67Å; F533-F538 HydrophobicContact CD1-CE2 4.36Å; F533-F538 HydrophobicContact CD1-CG 4.3Å; F533-F538 HydrophobicContact CD2-CD2 4.15Å; F533-F538 HydrophobicContact CD2-CE2 4.37Å; F533-F538 HydrophobicContact CD2-CG 4.48Å; F533-F538 AromaticContact CE1-CD2 3.82Å; F533-F538 HydrophobicContact CE1-CD2 3.82Å; F533-F538 HydrophobicContact CE1-CE2 4.1Å; F533-F538 HydrophobicContact CE2-CD2 4.3Å; F533-F538 HydrophobicContact CE2-CE2 4.14Å; F533-F538 HydrophobicContact CG-CB 4.23Å; F533-F538 AromaticContact CG-CD2 3.82Å; F533-F538 HydrophobicContact CG-CD2 3.82Å; F533-F538 HydrophobicContact CG-CE2 4.47Å; F533-F538 HydrophobicContact CG-CG 4.1Å; F533-F538 HydrophobicContact CZ-CD2 4.11Å; F533-F538 AromaticContact CZ-CE2 3.96Å; F533-F538 HydrophobicContact CZ-CE2 3.96Å
534	K	97.3	Very high	96.1	Very high	115 Å²	115	49.6 Å²	49.6	50%	0.5	24%	0.244	S	C	.	.			trans	-77.1	132.7	158.1	-67.5	-175.6	-174.5	169.5	0	108.5	S536 E537 F538	K534-S536 VanDerWaalsContact C-N 3.29Å; K534-S536 PolarHBondContact O-N 2.79Å; K534-E537 HydrophobicContact CB-CB 4.25Å; K534-E537 HydrophobicContact CB-CG 4.09Å; K534-E537 IonicContact NZ-OE1 2.76Å; K534-E537 PolarHBondContact O-N 2.92Å; K534-E537 VanDerWaalsContact O-N 3.12Å; K534-F538 PolarHBondContact O-N 3.29Å
535	P	97.1	Very high	96.1	Very high	8 Å²	8	47 Å²	47	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-56.6	-38.9	-175.2	-29.1	36.6	0	0	0	114.2	T498 I502 A506 L509 F538 A539	T498-P535 WeakPolarHBondContact CG2-O 3.16Å; I502-P535 HydrophobicContact CD1-CB 4.49Å; I502-P535 HydrophobicContact CG1-CB 3.59Å; A506-P535 WeakPolarHBondContact O-CG 3.45Å; L509-P535 HydrophobicContact CB-CG 4.22Å; P535-F538 PolarHBondContact O-N 2.75Å; P535-A539 WeakPolarHBondContact O-CB 3.47Å; P535-A539 PolarHBondContact O-N 3.43Å
536	S	95.5	Very high	96	Very high	73 Å²	73	48.2 Å²	48.2	51%	0.51	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-39.1	177.5	55.3	0	0	0	0	113.5	K534 N540	K534-S536 VanDerWaalsContact C-N 3.29Å; K534-S536 PolarHBondContact O-N 2.79Å; S536-N540 PolarHBondContact O-N 2.92Å; S536-N540 PolarHBondContact O-ND2 3.48Å
537	E	96.5	Very high	95.9	Very high	101 Å²	101	50.9 Å²	50.9	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-68.9	-39.6	175.3	-66.9	177.8	-174	0	0	111.1	K534 N540 Q541	K534-E537 HydrophobicContact CB-CB 4.25Å; K534-E537 HydrophobicContact CB-CG 4.09Å; K534-E537 IonicContact NZ-OE1 2.76Å; K534-E537 PolarHBondContact O-N 2.92Å; K534-E537 VanDerWaalsContact O-N 3.12Å; E537-N540 PolarHBondContact O-N 3.05Å; E537-Q541 PolarHBondContact O-N 2.86Å
538	F	96.8	Very high	95.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-38.2	177.9	-165	-127.1	0	0	0	112.3	L483 L494 T498 L509 L511 F533 K534 P535 N540 Q541 L542	L483-F538 HydrophobicContact CD1-CE2 4.14Å; L483-F538 HydrophobicContact CD1-CZ 4.31Å; L483-F538 HydrophobicContact CD2-CE2 4.3Å; L494-F538 HydrophobicContact CD2-CE1 4.22Å; L494-F538 HydrophobicContact CD2-CZ 4.16Å; T498-F538 HydrophobicContact CG2-CB 4.41Å; T498-F538 HydrophobicContact CG2-CD1 4.08Å; T498-F538 WeakPolarHBondContact OG1-CD1 3.4Å; T498-F538 WeakPolarHBondContact OG1-CE1 3.19Å; L509-F538 HydrophobicContact CD2-CD1 3.67Å; L509-F538 HydrophobicContact CD2-CE1 4.04Å; L511-F538 HydrophobicContact CD1-CE1 4.15Å; L511-F538 HydrophobicContact CD1-CZ 3.84Å; F533-F538 HydrophobicContact CB-CB 3.88Å; F533-F538 HydrophobicContact CB-CD2 4.41Å; F533-F538 HydrophobicContact CB-CG 4.21Å; F533-F538 HydrophobicContact CD1-CB 4.4Å; F533-F538 AromaticContact CD1-CD2 3.67Å; F533-F538 HydrophobicContact CD1-CD2 3.67Å; F533-F538 HydrophobicContact CD1-CE2 4.36Å; F533-F538 HydrophobicContact CD1-CG 4.3Å; F533-F538 HydrophobicContact CD2-CD2 4.15Å; F533-F538 HydrophobicContact CD2-CE2 4.37Å; F533-F538 HydrophobicContact CD2-CG 4.48Å; F533-F538 AromaticContact CE1-CD2 3.82Å; F533-F538 HydrophobicContact CE1-CD2 3.82Å; F533-F538 HydrophobicContact CE1-CE2 4.1Å; F533-F538 HydrophobicContact CE2-CD2 4.3Å; F533-F538 HydrophobicContact CE2-CE2 4.14Å; F533-F538 HydrophobicContact CG-CB 4.23Å; F533-F538 AromaticContact CG-CD2 3.82Å; F533-F538 HydrophobicContact CG-CD2 3.82Å; F533-F538 HydrophobicContact CG-CE2 4.47Å; F533-F538 HydrophobicContact CG-CG 4.1Å; F533-F538 HydrophobicContact CZ-CD2 4.11Å; F533-F538 AromaticContact CZ-CE2 3.96Å; F533-F538 HydrophobicContact CZ-CE2 3.96Å; K534-F538 PolarHBondContact O-N 3.29Å; P535-F538 PolarHBondContact O-N 2.75Å; F538-N540 VanDerWaalsContact C-N 3.27Å; F538-N540 PolarHBondContact O-N 3.48Å; F538-Q541 HydrophobicContact CD2-CB 4.46Å; F538-Q541 WeakPolarHBondContact O-CB 3.38Å; F538-Q541 PolarHBondContact O-N 3.38Å; F538-L542 HydrophobicContact CD1-CD1 3.87Å; F538-L542 HydrophobicContact CD1-CG 4.27Å; F538-L542 HydrophobicContact CE1-CD1 3.69Å; F538-L542 HydrophobicContact CE1-CD2 4.28Å; F538-L542 HydrophobicContact CE1-CG 4.09Å; F538-L542 HydrophobicContact CE2-CD2 4.4Å; F538-L542 HydrophobicContact CE2-CG 4.46Å; F538-L542 HydrophobicContact CZ-CD1 4.24Å; F538-L542 HydrophobicContact CZ-CD2 3.99Å; F538-L542 HydrophobicContact CZ-CG 4.17Å; F538-L542 WeakPolarHBondContact O-CG 3.44Å; F538-L542 PolarHBondContact O-N 3.37Å
539	A	96.9	Very high	95.9	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-55.4	-42.8	172.9	0	0	0	0	0	111.9	T498 I502 P535 L542 N543 L544	T498-A539 HydrophobicContact CG2-CB 3.87Å; I502-A539 HydrophobicContact CD1-CB 3.96Å; P535-A539 WeakPolarHBondContact O-CB 3.47Å; P535-A539 PolarHBondContact O-N 3.43Å; A539-L542 CarbonylContact O-C 3.51Å; A539-L542 PolarHBondContact O-N 3.26Å; A539-N543 PolarHBondContact O-N 2.85Å; A539-L544 HydrophobicContact CB-CB 4.27Å; A539-L544 HydrophobicContact CB-CD2 4.18Å; A539-L544 WeakPolarHBondContact O-CB 3.44Å; A539-L544 PolarHBondContact O-N 2.87Å
540	N	95.6	Very high	95.9	Very high	125 Å²	125	53 Å²	53	67%	0.668	27%	0.271	S	S	*	.	H	α-helix	trans	-63.6	-41.8	174.9	-70.9	-37.9	0	0	0	112.3	S536 E537 F538 L542 N543	S536-N540 PolarHBondContact O-N 2.92Å; S536-N540 PolarHBondContact O-ND2 3.48Å; E537-N540 PolarHBondContact O-N 3.05Å; F538-N540 VanDerWaalsContact C-N 3.27Å; F538-N540 PolarHBondContact O-N 3.48Å; N540-L542 VanDerWaalsContact C-N 3.28Å; N540-L542 PolarHBondContact O-N 3.08Å; N540-N543 PolarHBondContact O-N 2.93Å; N540-N543 VanDerWaalsContact O-N 3.09Å
541	Q	94.2	Very high	96	Very high	106 Å²	106	52.5 Å²	52.5	50%	0.495	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-33.9	175.2	-66.8	-177.7	15.5	0	0	112.4	E537 F538 N543	E537-Q541 PolarHBondContact O-N 2.86Å; F538-Q541 HydrophobicContact CD2-CB 4.46Å; F538-Q541 WeakPolarHBondContact O-CB 3.38Å; F538-Q541 PolarHBondContact O-N 3.38Å; Q541-N543 PolarHBondContact O-N 2.93Å
542	L	95.3	Very high	96.1	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.6	175.2	-66.6	-178.5	0	0	0	113.8	R302 I487 L494 T498 F538 A539 N540 L544	R302-L542 PolarHBondContact NH1-O 3.24Å; R302-L542 PolarHBondContact NH2-O 3.24Å; I487-L542 HydrophobicContact CB-CD2 4.26Å; I487-L542 HydrophobicContact CD1-CD2 3.81Å; I487-L542 HydrophobicContact CG1-CD2 3.52Å; I487-L542 HydrophobicContact CG2-CD2 3.87Å; L494-L542 HydrophobicContact CB-CD1 4.27Å; L494-L542 HydrophobicContact CB-CD2 4.19Å; T498-L542 HydrophobicContact CG2-CD1 4.34Å; T498-L542 WeakPolarHBondContact OG1-CD1 3.25Å; F538-L542 HydrophobicContact CD1-CD1 3.87Å; F538-L542 HydrophobicContact CD1-CG 4.27Å; F538-L542 HydrophobicContact CE1-CD1 3.69Å; F538-L542 HydrophobicContact CE1-CD2 4.28Å; F538-L542 HydrophobicContact CE1-CG 4.09Å; F538-L542 HydrophobicContact CE2-CD2 4.4Å; F538-L542 HydrophobicContact CE2-CG 4.46Å; F538-L542 HydrophobicContact CZ-CD1 4.24Å; F538-L542 HydrophobicContact CZ-CD2 3.99Å; F538-L542 HydrophobicContact CZ-CG 4.17Å; F538-L542 WeakPolarHBondContact O-CG 3.44Å; F538-L542 PolarHBondContact O-N 3.37Å; A539-L542 CarbonylContact O-C 3.51Å; A539-L542 PolarHBondContact O-N 3.26Å; N540-L542 VanDerWaalsContact C-N 3.28Å; N540-L542 PolarHBondContact O-N 3.08Å; L542-L544 HydrophobicContact CB-CB 4.33Å; L542-L544 PolarHBondContact O-N 2.83Å
543	N	94.8	Very high	96.1	Very high	142 Å²	142	45.4 Å²	45.4	76%	0.759	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	40.2	-170.1	-170	46.4	0	0	0	111.9	R302 A539 N540 Q541	R302-N543 VanDerWaalsContact NH2-C 3.27Å; R302-N543 PolarHBondContact NH2-O 2.99Å; A539-N543 PolarHBondContact O-N 2.85Å; N540-N543 PolarHBondContact O-N 2.93Å; N540-N543 VanDerWaalsContact O-N 3.09Å; Q541-N543 PolarHBondContact O-N 2.93Å
544	L	94.9	Very high	96	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.073	24%	0.236	C	C	.	.			trans	-96.4	112.7	176.3	177.7	69.6	0	0	0	108.6	V499 A539 L542 M546	V499-L544 HydrophobicContact CG2-CD2 3.57Å; A539-L544 HydrophobicContact CB-CB 4.27Å; A539-L544 HydrophobicContact CB-CD2 4.18Å; A539-L544 WeakPolarHBondContact O-CB 3.44Å; A539-L544 PolarHBondContact O-N 2.87Å; L542-L544 HydrophobicContact CB-CB 4.33Å; L542-L544 PolarHBondContact O-N 2.83Å; L544-M546 HydrophobicContact CD2-SD 4.25Å
545	N	95.1	Very high	95.9	Very high	88 Å²	88	42.1 Å²	42.1	47%	0.471	23%	0.225	S	C	.	.			trans	-91.8	115.5	174.7	-176.9	-1.6	0	0	0	109.7	D547 N548 A549	N545-D547 VanDerWaalsContact C-N 3.28Å; N545-D547 PolarHBondContact O-N 2.95Å; N545-D547 WeakPolarHBondContact OD1-CB 3.4Å; N545-D547 PolarHBondContact OD1-N 3.22Å; N545-N548 HydrophobicContact CB-CB 4.1Å; N545-N548 WeakPolarHBondContact O-CB 3.42Å; N545-N548 PolarHBondContact O-N 2.85Å; N545-N548 VanDerWaalsContact O-N 3.14Å; N545-A549 PolarHBondContact O-N 2.57Å
546	M	94.8	Very high	95.8	Very high	36 Å²	36	41.7 Å²	41.7	18%	0.177	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-32	178.7	-69.6	-54.8	-59.4	0	0	112.9	M298 V499 I502 L544 N548 A549 W550	M298-M546 HydrophobicContact SD-CE 4.47Å; V499-M546 HydrophobicContact CG2-SD 4.48Å; I502-M546 HydrophobicContact CD1-CE 4.48Å; I502-M546 HydrophobicContact CD1-CG 4.24Å; I502-M546 HydrophobicContact CD1-SD 3.71Å; I502-M546 HydrophobicContact CG2-CE 4.01Å; L544-M546 HydrophobicContact CD2-SD 4.25Å; M546-N548 VanDerWaalsContact C-N 3.28Å; M546-N548 PolarHBondContact O-N 3.2Å; M546-A549 WeakPolarHBondContact O-CB 3.3Å; M546-A549 PolarHBondContact O-N 2.99Å; M546-W550 PolarHBondContact O-N 2.87Å
547	D	96.3	Very high	95.8	Very high	66 Å²	66	38.2 Å²	38.2	35%	0.353	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-39	175.3	-62.7	-23.2	0	0	0	110.6	A224 L225 N545 G551	A224-D547 CarbonylContact C-O 3.44Å; A224-D547 VanDerWaalsContact CA-O 3.31Å; A224-D547 WeakPolarHBondContact CA-O 3.31Å; A224-D547 HydrophobicContact CB-CB 4.4Å; L225-D547 PolarHBondContact N-O 2.83Å; N545-D547 VanDerWaalsContact C-N 3.28Å; N545-D547 PolarHBondContact O-N 2.95Å; N545-D547 WeakPolarHBondContact OD1-CB 3.4Å; N545-D547 PolarHBondContact OD1-N 3.22Å; D547-G551 PolarHBondContact O-N 2.91Å
548	N	96.9	Very high	95.7	Very high	26 Å²	26	35.6 Å²	35.6	14%	0.139	19%	0.188	C	C	.	.	H	α-helix	trans	-68.4	-44.1	175.5	175.8	-114.1	0	0	0	111.4	L220 A221 L223 N545 M546 W550 G551 I552	L220-N548 PolarHBondContact O-ND2 3.42Å; A221-N548 PolarHBondContact O-ND2 2.82Å; L223-N548 WeakPolarHBondContact O-CA 3.34Å; L223-N548 PolarHBondContact O-ND2 3.34Å; N545-N548 HydrophobicContact CB-CB 4.1Å; N545-N548 WeakPolarHBondContact O-CB 3.42Å; N545-N548 PolarHBondContact O-N 2.85Å; N545-N548 VanDerWaalsContact O-N 3.14Å; M546-N548 VanDerWaalsContact C-N 3.28Å; M546-N548 PolarHBondContact O-N 3.2Å; N548-W550 PolarHBondContact O-N 2.82Å; N548-G551 PolarHBondContact O-N 2.82Å; N548-G551 VanDerWaalsContact O-N 3.15Å; N548-I552 WeakPolarHBondContact O-CG1 3.42Å; N548-I552 PolarHBondContact O-N 2.95Å; N548-I552 WeakPolarHBondContact OD1-CD1 3.45Å
549	A	96.8	Very high	95.6	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-55.7	-50.3	176.3	0	0	0	0	0	111.7	M298 N545 M546 G551 I552 L553	M298-A549 HydrophobicContact CB-CB 3.87Å; M298-A549 HydrophobicContact CG-CB 3.99Å; M298-A549 HydrophobicContact SD-CB 3.96Å; N545-A549 PolarHBondContact O-N 2.57Å; M546-A549 WeakPolarHBondContact O-CB 3.3Å; M546-A549 PolarHBondContact O-N 2.99Å; A549-G551 PolarHBondContact O-N 2.93Å; A549-I552 PolarHBondContact O-N 2.84Å; A549-L553 PolarHBondContact O-N 2.99Å; A549-L553 VanDerWaalsContact O-N 3.07Å
550	W	97	Very high	95.5	Very high	20 Å²	20	36.9 Å²	36.9	8%	0.076	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-38.2	175	-75	120.5	0	0	0	112.8	L225 V228 M298 F421 L423 I431 L503 M546 N548 I552 L553 R554	L225-W550 HydrophobicContact CB-CB 4.03Å; L225-W550 HydrophobicContact CD2-CB 4.33Å; V228-W550 HydrophobicContact CB-CD2 4.48Å; V228-W550 HydrophobicContact CB-CG 4.37Å; V228-W550 HydrophobicContact CG1-CD2 4.2Å; V228-W550 HydrophobicContact CG1-CZ2 4.17Å; V228-W550 HydrophobicContact CG2-CB 3.96Å; V228-W550 HydrophobicContact CG2-CD2 4.05Å; V228-W550 HydrophobicContact CG2-CG 3.7Å; M298-W550 HydrophobicContact CE-CD2 3.63Å; M298-W550 HydrophobicContact CE-CE3 3.36Å; M298-W550 HydrophobicContact CE-CG 4.47Å; M298-W550 HydrophobicContact CE-CH2 3.58Å; M298-W550 HydrophobicContact CE-CZ2 3.84Å; M298-W550 HydrophobicContact CE-CZ3 3.33Å; F421-W550 HydrophobicContact CB-CH2 4.11Å; F421-W550 HydrophobicContact CB-CZ3 4.48Å; F421-W550 AromaticContact CD1-CH2 3.39Å; F421-W550 HydrophobicContact CD1-CH2 3.39Å; F421-W550 AromaticContact CD1-CZ2 3.61Å; F421-W550 HydrophobicContact CD1-CZ2 3.61Å; F421-W550 HydrophobicContact CD1-CZ3 4.47Å; F421-W550 HydrophobicContact CD2-CH2 4.34Å; F421-W550 AromaticContact CE1-CH2 3.81Å; F421-W550 HydrophobicContact CE1-CH2 3.81Å; F421-W550 AromaticContact CE1-CZ2 3.77Å; F421-W550 HydrophobicContact CE1-CZ2 3.77Å; F421-W550 AromaticContact CG-CH2 3.69Å; F421-W550 HydrophobicContact CG-CH2 3.69Å; F421-W550 HydrophobicContact CG-CZ2 4.38Å; F421-W550 HydrophobicContact CG-CZ3 4.5Å; F421-W550 HydrophobicContact CZ-CH2 4.44Å; L423-W550 HydrophobicContact CD2-CD2 4.44Å; L423-W550 HydrophobicContact CD2-CE3 3.5Å; L423-W550 HydrophobicContact CD2-CH2 4.42Å; L423-W550 HydrophobicContact CD2-CZ3 3.5Å; I431-W550 HydrophobicContact CD1-CH2 4.42Å; L503-W550 HydrophobicContact CD2-CH2 3.7Å; L503-W550 HydrophobicContact CD2-CZ2 3.71Å; M546-W550 PolarHBondContact O-N 2.87Å; N548-W550 PolarHBondContact O-N 2.82Å; W550-I552 PolarHBondContact O-N 2.86Å; W550-L553 HydrophobicContact CE3-CD2 3.94Å; W550-L553 HydrophobicContact CZ3-CD2 3.74Å; W550-L553 PolarHBondContact O-N 3.21Å; W550-R554 WeakPolarHBondContact O-CB 3.49Å; W550-R554 PolarHBondContact O-N 2.93Å
551	G	96.4	Very high	95.4	Very high	6 Å²	6	32.4 Å²	32.4	6%	0.062	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-40.7	175.8	0	0	0	0	0	113.3	D547 N548 A549 C555	D547-G551 PolarHBondContact O-N 2.91Å; N548-G551 PolarHBondContact O-N 2.82Å; N548-G551 VanDerWaalsContact O-N 3.15Å; A549-G551 PolarHBondContact O-N 2.93Å; G551-C555 WeakPolarHBondContact O-CB 3.28Å; G551-C555 PolarHBondContact O-N 2.83Å
552	I	96.9	Very high	95.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-51.5	174.8	-68.5	168	0	0	0	110.1	L220 L223 I297 T301 N548 A549 W550 R554 C555 V556	L220-I552 HydrophobicContact CB-CD1 4.3Å; L220-I552 HydrophobicContact CB-CG1 4.12Å; L220-I552 HydrophobicContact CD2-CG2 4.33Å; L220-I552 WeakPolarHBondContact O-CG1 3.36Å; L223-I552 HydrophobicContact CD1-CG1 4.27Å; I297-I552 HydrophobicContact CG2-CG2 4.29Å; I297-I552 VanDerWaalsContact O-CG2 3.32Å; I297-I552 WeakPolarHBondContact O-CG2 3.46Å; T301-I552 HydrophobicContact CG2-CD1 3.85Å; N548-I552 WeakPolarHBondContact O-CG1 3.42Å; N548-I552 PolarHBondContact O-N 2.95Å; N548-I552 WeakPolarHBondContact OD1-CD1 3.45Å; A549-I552 PolarHBondContact O-N 2.84Å; W550-I552 PolarHBondContact O-N 2.86Å; I552-R554 VanDerWaalsContact C-N 3.31Å; I552-R554 PolarHBondContact O-N 2.92Å; I552-C555 WeakPolarHBondContact O-CB 3.49Å; I552-C555 PolarHBondContact O-N 2.86Å; I552-V556 WeakPolarHBondContact O-CG2 3.37Å; I552-V556 PolarHBondContact O-N 3.16Å; I552-V556 VanDerWaalsContact O-N 3.1Å
553	L	96.1	Very high	95.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-45	-179.4	-177	60	0	0	0	111.5	I297 M298 M429 A549 W550 C555 V556 V557	I297-L553 HydrophobicContact CB-CD1 4.08Å; I297-L553 HydrophobicContact CD1-CD1 4.11Å; I297-L553 HydrophobicContact CG2-CD1 3.76Å; M298-L553 HydrophobicContact CE-CB 4.46Å; M298-L553 HydrophobicContact CE-CD2 3.35Å; M298-L553 HydrophobicContact CG-CB 4.19Å; M298-L553 HydrophobicContact CG-CD2 4.28Å; M429-L553 HydrophobicContact CE-CD1 4.17Å; M429-L553 HydrophobicContact CE-CD2 3.83Å; M429-L553 HydrophobicContact CE-CG 4.37Å; M429-L553 HydrophobicContact SD-CD2 3.71Å; M429-L553 HydrophobicContact SD-CG 4.22Å; A549-L553 PolarHBondContact O-N 2.99Å; A549-L553 VanDerWaalsContact O-N 3.07Å; W550-L553 HydrophobicContact CE3-CD2 3.94Å; W550-L553 HydrophobicContact CZ3-CD2 3.74Å; W550-L553 PolarHBondContact O-N 3.21Å; L553-C555 VanDerWaalsContact C-N 3.35Å; L553-C555 PolarHBondContact O-N 3.2Å; L553-V556 PolarHBondContact O-N 3.36Å; L553-V557 WeakPolarHBondContact O-CG2 3.33Å; L553-V557 PolarHBondContact O-N 3.26Å
554	R	95.4	Very high	95.1	Very high	21 Å²	21	34.5 Å²	34.5	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-42.5	177.2	178.9	65	-159.5	-125.6	19.6	112.7	L225 L423 G424 W550 I552 V556 V557 D558	L225-R554 HydrophobicContact CD2-CB 3.98Å; L225-R554 HydrophobicContact CD2-CG 4.11Å; L423-R554 PolarHBondContact O-NH1 2.83Å; G424-R554 VanDerWaalsContact C-NH1 3.3Å; G424-R554 PolarHBondContact O-NH1 2.81Å; W550-R554 WeakPolarHBondContact O-CB 3.49Å; W550-R554 PolarHBondContact O-N 2.93Å; I552-R554 VanDerWaalsContact C-N 3.31Å; I552-R554 PolarHBondContact O-N 2.92Å; R554-V556 VanDerWaalsContact C-N 3.32Å; R554-V556 PolarHBondContact O-N 2.98Å; R554-V557 PolarHBondContact O-N 3.28Å; R554-D558 IonicContact CZ-OD1 3.25Å; R554-D558 VanDerWaalsContact CZ-OD1 3.27Å; R554-D558 IonicContact CZ-OD2 3.74Å; R554-D558 IonicContact NE-OD1 3.65Å; R554-D558 PolarHBondContact NE-OD1 3.33Å; R554-D558 IonicContact NE-OD2 3.71Å; R554-D558 PolarHBondContact NE-OD2 2.92Å; R554-D558 IonicContact NH2-OD1 2.9Å; R554-D558 PolarHBondContact NH2-OD1 2.92Å; R554-D558 IonicContact NH2-OD2 2.68Å; R554-D558 WeakPolarHBondContact O-CB 3.45Å; R554-D558 PolarHBondContact O-N 2.88Å
555	C	95	Very high	95.1	Very high	41 Å²	41	39.5 Å²	39.5	28%	0.277	20%	0.202	S	C	.	.	H	α-helix	trans	-61.6	-40.9	177.1	-178	0	0	0	0	112	L223 G551 I552 L553 F559	L223-C555 HydrophobicContact CD1-CB 3.54Å; G551-C555 WeakPolarHBondContact O-CB 3.28Å; G551-C555 PolarHBondContact O-N 2.83Å; I552-C555 WeakPolarHBondContact O-CB 3.49Å; I552-C555 PolarHBondContact O-N 2.86Å; L553-C555 VanDerWaalsContact C-N 3.35Å; L553-C555 PolarHBondContact O-N 3.2Å; C555-F559 PolarHBondContact O-N 2.94Å; C555-F559 VanDerWaalsContact O-N 3.13Å
556	V	95.4	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.7	-45.4	177.2	174.5	0	0	0	0	110.8	I297 F320 I552 L553 R554 F559 F560 M570	I297-V556 HydrophobicContact CG2-CB 4.25Å; I297-V556 HydrophobicContact CG2-CG2 3.93Å; F320-V556 HydrophobicContact CE1-CG1 4.02Å; F320-V556 HydrophobicContact CZ-CG1 4.28Å; I552-V556 WeakPolarHBondContact O-CG2 3.37Å; I552-V556 PolarHBondContact O-N 3.16Å; I552-V556 VanDerWaalsContact O-N 3.1Å; L553-V556 PolarHBondContact O-N 3.36Å; R554-V556 VanDerWaalsContact C-N 3.32Å; R554-V556 PolarHBondContact O-N 2.98Å; V556-F559 WeakPolarHBondContact O-CB 3.3Å; V556-F559 PolarHBondContact O-N 3.12Å; V556-F560 HydrophobicContact CG1-CD2 3.84Å; V556-F560 HydrophobicContact CG1-CE2 3.64Å; V556-F560 VanDerWaalsContact O-CD2 3.25Å; V556-F560 WeakPolarHBondContact O-CD2 3.23Å; V556-F560 PolarHBondContact O-N 2.79Å; V556-M570 HydrophobicContact CG1-CE 4.14Å; V556-M570 HydrophobicContact CG1-SD 3.9Å; V556-M570 HydrophobicContact CG2-SD 4.38Å
557	V	95.4	Very high	94.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-47.2	176.7	169.3	0	0	0	0	111.7	V287 L318 F320 V427 L553 R554 F559 F560 M561	V287-V557 HydrophobicContact CG1-CG2 4.23Å; V287-V557 HydrophobicContact CG2-CG1 3.65Å; V287-V557 HydrophobicContact CG2-CG2 4.35Å; L318-V557 HydrophobicContact CD1-CG1 4.37Å; F320-V557 HydrophobicContact CE2-CG2 4.3Å; F320-V557 HydrophobicContact CZ-CG2 4.27Å; V427-V557 HydrophobicContact CG1-CG1 3.78Å; L553-V557 WeakPolarHBondContact O-CG2 3.33Å; L553-V557 PolarHBondContact O-N 3.26Å; R554-V557 PolarHBondContact O-N 3.28Å; V557-F559 PolarHBondContact O-N 3.44Å; V557-F560 PolarHBondContact O-N 3.21Å; V557-M561 HydrophobicContact CG1-CG 4.23Å; V557-M561 WeakPolarHBondContact O-CB 3.5Å; V557-M561 WeakPolarHBondContact O-CG 3.47Å; V557-M561 PolarHBondContact O-N 3.34Å
558	D	94.7	Very high	94.8	Very high	46 Å²	46	32.8 Å²	32.8	25%	0.246	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-27.9	179.5	-75.8	-17.5	0	0	0	112.7	R554 K562	R554-D558 IonicContact CZ-OD1 3.25Å; R554-D558 VanDerWaalsContact CZ-OD1 3.27Å; R554-D558 IonicContact CZ-OD2 3.74Å; R554-D558 IonicContact NE-OD1 3.65Å; R554-D558 PolarHBondContact NE-OD1 3.33Å; R554-D558 IonicContact NE-OD2 3.71Å; R554-D558 PolarHBondContact NE-OD2 2.92Å; R554-D558 IonicContact NH2-OD1 2.9Å; R554-D558 PolarHBondContact NH2-OD1 2.92Å; R554-D558 IonicContact NH2-OD2 2.68Å; R554-D558 WeakPolarHBondContact O-CB 3.45Å; R554-D558 PolarHBondContact O-N 2.88Å; D558-K562 WeakPolarHBondContact O-CD 3.44Å; D558-K562 WeakPolarHBondContact O-CG 3.35Å
559	F	94.4	Very high	94.6	Very high	29 Å²	29	31.9 Å²	31.9	13%	0.127	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-56.6	172.8	176.8	-91.5	0	0	0	110.4	L212 E213 C555 V556 V557 M561 K562 M563 I581	L212-F559 HydrophobicContact CB-CZ 4.16Å; E213-F559 HydrophobicContact CB-CE2 3.68Å; E213-F559 HydrophobicContact CB-CZ 3.89Å; E213-F559 HydrophobicContact CG-CE2 4.38Å; E213-F559 WeakPolarHBondContact OE2-CD2 3.45Å; E213-F559 WeakPolarHBondContact OE2-CE2 3.35Å; C555-F559 PolarHBondContact O-N 2.94Å; C555-F559 VanDerWaalsContact O-N 3.13Å; V556-F559 WeakPolarHBondContact O-CB 3.3Å; V556-F559 PolarHBondContact O-N 3.12Å; V557-F559 PolarHBondContact O-N 3.44Å; F559-M561 VanDerWaalsContact C-N 3.28Å; F559-M561 PolarHBondContact O-N 3.08Å; F559-K562 PolarHBondContact O-N 3.04Å; F559-M563 HydrophobicContact CD1-CG 4.22Å; F559-M563 HydrophobicContact CE1-CG 3.79Å; F559-M563 HydrophobicContact CE1-SD 4.16Å; F559-M563 HydrophobicContact CE2-SD 4.37Å; F559-M563 HydrophobicContact CZ-CG 4.14Å; F559-M563 HydrophobicContact CZ-SD 3.88Å; F559-M563 WeakPolarHBondContact O-CG 3.46Å; F559-M563 PolarHBondContact O-N 2.91Å; F559-I581 HydrophobicContact CD1-CD1 3.54Å; F559-I581 HydrophobicContact CE1-CB 4.27Å; F559-I581 HydrophobicContact CE1-CD1 3.52Å; F559-I581 HydrophobicContact CE1-CG1 4.48Å; F559-I581 HydrophobicContact CE1-CG2 3.82Å; F559-I581 HydrophobicContact CG-CD1 4.18Å; F559-I581 HydrophobicContact CZ-CD1 4.12Å; F559-I581 HydrophobicContact CZ-CG2 4.49Å
560	F	94.9	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-31.2	-178.4	-71.6	-65.3	0	0	0	112.9	V311 R313 L318 F320 V556 V557 K562 M563 Y568 M570 I581	V311-F560 HydrophobicContact CB-CD1 4.3Å; V311-F560 HydrophobicContact CB-CE1 4.07Å; V311-F560 HydrophobicContact CB-CE2 4.28Å; V311-F560 HydrophobicContact CB-CZ 4.06Å; V311-F560 HydrophobicContact CG1-CB 4.34Å; V311-F560 HydrophobicContact CG1-CD1 3.95Å; V311-F560 HydrophobicContact CG1-CD2 3.96Å; V311-F560 HydrophobicContact CG1-CE1 4.23Å; V311-F560 HydrophobicContact CG1-CE2 4.22Å; V311-F560 HydrophobicContact CG1-CG 3.82Å; V311-F560 HydrophobicContact CG1-CZ 4.35Å; V311-F560 HydrophobicContact CG2-CD2 4.33Å; V311-F560 HydrophobicContact CG2-CE1 4.28Å; V311-F560 HydrophobicContact CG2-CE2 3.77Å; V311-F560 HydrophobicContact CG2-CZ 3.75Å; R313-F560 PolarHBondContact NH1-O 3.39Å; L318-F560 HydrophobicContact CD1-CB 3.65Å; L318-F560 HydrophobicContact CD2-CB 3.88Å; L318-F560 HydrophobicContact CG-CB 4.44Å; F320-F560 HydrophobicContact CE1-CD2 4.07Å; F320-F560 HydrophobicContact CE1-CE2 4.12Å; F320-F560 HydrophobicContact CZ-CD2 4.03Å; V556-F560 HydrophobicContact CG1-CD2 3.84Å; V556-F560 HydrophobicContact CG1-CE2 3.64Å; V556-F560 VanDerWaalsContact O-CD2 3.25Å; V556-F560 WeakPolarHBondContact O-CD2 3.23Å; V556-F560 PolarHBondContact O-N 2.79Å; V557-F560 PolarHBondContact O-N 3.21Å; F560-K562 PolarHBondContact O-N 2.75Å; F560-M563 PolarHBondContact O-N 3.44Å; F560-Y568 HydrophobicContact CD1-CD2 4.14Å; F560-Y568 HydrophobicContact CD1-CG 4.14Å; F560-Y568 HydrophobicContact CE1-CD1 4.48Å; F560-Y568 HydrophobicContact CE1-CD2 4.33Å; F560-Y568 AromaticContact CE1-CG 3.89Å; F560-Y568 HydrophobicContact CE1-CG 3.89Å; F560-M570 HydrophobicContact CE2-SD 4.43Å; F560-M570 HydrophobicContact CZ-CB 4.31Å; F560-I581 HydrophobicContact CE1-CG2 3.63Å; F560-I581 HydrophobicContact CE2-CD1 4.38Å; F560-I581 HydrophobicContact CZ-CD1 4.02Å; F560-I581 HydrophobicContact CZ-CG1 4.3Å; F560-I581 HydrophobicContact CZ-CG2 3.68Å
561	M	92.6	Very high	94.3	Very high	31 Å²	31	31 Å²	31	15%	0.153	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.7	172.3	-79.4	-58.3	-175	0	0	114.5	K286 V287 R313 L318 V557 F559	K286-M561 HydrophobicContact CB-CE 3.57Å; K286-M561 HydrophobicContact CD-CE 4.35Å; V287-M561 HydrophobicContact CG2-CE 3.95Å; R313-M561 VanDerWaalsContact NH1-CA 3.31Å; R313-M561 PolarHBondContact NH1-O 3.02Å; R313-M561 PolarHBondContact NH2-O 2.91Å; L318-M561 HydrophobicContact CB-CE 4.46Å; L318-M561 HydrophobicContact CD1-CE 3.83Å; L318-M561 HydrophobicContact CD1-CG 3.69Å; L318-M561 HydrophobicContact CD1-SD 3.89Å; L318-M561 HydrophobicContact CG-CE 3.75Å; L318-M561 HydrophobicContact CG-CG 4.4Å; L318-M561 HydrophobicContact CG-SD 3.94Å; V557-M561 HydrophobicContact CG1-CG 4.23Å; V557-M561 WeakPolarHBondContact O-CB 3.5Å; V557-M561 WeakPolarHBondContact O-CG 3.47Å; V557-M561 PolarHBondContact O-N 3.34Å; F559-M561 VanDerWaalsContact C-N 3.28Å; F559-M561 PolarHBondContact O-N 3.08Å
562	K	93.1	Very high	94.2	Very high	170 Å²	170	31 Å²	31	74%	0.739	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-18.3	171.3	-67.9	167.5	-171	167.3	0	113.8	D558 F559 F560	D558-K562 WeakPolarHBondContact O-CD 3.44Å; D558-K562 WeakPolarHBondContact O-CG 3.35Å; F559-K562 PolarHBondContact O-N 3.04Å; F560-K562 PolarHBondContact O-N 2.75Å
563	M	92.2	Very high	94	Very high	37 Å²	37	31.6 Å²	31.6	18%	0.182	16%	0.161	C	C	.	.	S	Bend	trans	-76.9	150.6	-177.4	-64.1	-53	-66.5	0	0	111.7	L212 R313 F559 F560 Y568	L212-M563 HydrophobicContact CD1-CE 3.62Å; L212-M563 HydrophobicContact CD2-CE 3.77Å; L212-M563 HydrophobicContact CG-CE 4.18Å; R313-M563 WeakPolarHBondContact CD-O 3.45Å; R313-M563 PolarHBondContact NE-O 2.9Å; R313-M563 PolarHBondContact NH1-O 2.98Å; F559-M563 HydrophobicContact CD1-CG 4.22Å; F559-M563 HydrophobicContact CE1-CG 3.79Å; F559-M563 HydrophobicContact CE1-SD 4.16Å; F559-M563 HydrophobicContact CE2-SD 4.37Å; F559-M563 HydrophobicContact CZ-CG 4.14Å; F559-M563 HydrophobicContact CZ-SD 3.88Å; F559-M563 WeakPolarHBondContact O-CG 3.46Å; F559-M563 PolarHBondContact O-N 2.91Å; F560-M563 PolarHBondContact O-N 3.44Å; M563-Y568 HydrophobicContact CB-CE1 4.23Å; M563-Y568 HydrophobicContact CB-CE2 4.23Å; M563-Y568 WeakPolarHBondContact CB-OH 3.35Å; M563-Y568 HydrophobicContact CE-CE1 4.12Å
564	P	93.6	Very high	93.8	Very high	91 Å²	91	32.2 Å²	32.2	59%	0.591	17%	0.165	S	C	*	.	P	Polyproline II helix	trans	-61.3	167.9	175	26.4	-33.6	0	0	0	112.4	R313 Y568	R313-P564 WeakPolarHBondContact CD-O 3.48Å; P564-Y568 WeakPolarHBondContact CD-OH 3.13Å; P564-Y568 WeakPolarHBondContact O-CE2 3.21Å; P564-Y568 PolarHBondContact O-OH 3.14Å
565	E	94.1	Very high	93.6	Very high	120 Å²	120	34.7 Å²	34.7	56%	0.561	18%	0.18	S	C	*	.	S	Bend	trans	-59	139.7	172.7	-63.6	-179.9	-157.4	0	0	110.9	R313 Q315	R313-E565 HydrophobicContact CG-CG 4.48Å; Q315-E565 VanDerWaalsContact CA-OE1 3.26Å; Q315-E565 WeakPolarHBondContact CA-OE1 3.4Å; Q315-E565 VanDerWaalsContact N-CD 3.35Å
566	G	92.4	Very high	93.4	Very high	12 Å²	12	38 Å²	38	12%	0.124	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.7	177.6	-175	0	0	0	0	0	114.7	R313	R313-G566 PolarHBondContact N-O 2.88Å; R313-G566 PolarHBondContact O-N 3.35Å; R313-G566 VanDerWaalsContact O-N 3.11Å
567	K	92.9	Very high	93.4	Very high	34 Å²	34	40.8 Å²	40.8	15%	0.148	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.2	173.8	-171.1	174.6	178.9	177.4	0	108.9	I310 V584 A588 D590	I310-K567 HydrophobicContact CG2-CD 4.41Å; I310-K567 HydrophobicContact CG2-CG 4.1Å; K567-V584 PolarHBondContact O-N 3.4Å; K567-V584 VanDerWaalsContact O-O 3.13Å; K567-A588 PolarHBondContact NZ-O 2.92Å; K567-D590 IonicContact NZ-OD1 2.66Å; K567-D590 PolarHBondContact NZ-OD1 3.37Å; K567-D590 IonicContact NZ-OD2 3.54Å
568	Y	94.5	Very high	93.3	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	156.1	179.9	-58.7	-83.2	0	0	0	110	L212 V311 R313 F560 M563 P564 Y582	L212-Y568 HydrophobicContact CD1-CD1 3.62Å; L212-Y568 HydrophobicContact CD1-CE1 3.72Å; V311-Y568 PolarHBondContact N-O 3.47Å; V311-Y568 PolarHBondContact O-N 3.11Å; R313-Y568 HydrophobicContact CB-CE2 4.19Å; F560-Y568 HydrophobicContact CD1-CD2 4.14Å; F560-Y568 HydrophobicContact CD1-CG 4.14Å; F560-Y568 HydrophobicContact CE1-CD1 4.48Å; F560-Y568 HydrophobicContact CE1-CD2 4.33Å; F560-Y568 AromaticContact CE1-CG 3.89Å; F560-Y568 HydrophobicContact CE1-CG 3.89Å; M563-Y568 HydrophobicContact CB-CE1 4.23Å; M563-Y568 HydrophobicContact CB-CE2 4.23Å; M563-Y568 WeakPolarHBondContact CB-OH 3.35Å; M563-Y568 HydrophobicContact CE-CE1 4.12Å; P564-Y568 WeakPolarHBondContact CD-OH 3.13Å; P564-Y568 WeakPolarHBondContact O-CE2 3.21Å; P564-Y568 PolarHBondContact O-OH 3.14Å; Y568-Y582 CarbonylContact C-O 3.58Å; Y568-Y582 VanDerWaalsContact CA-O 3.3Å; Y568-Y582 WeakPolarHBondContact CA-O 3.45Å
569	L	93.2	Very high	93.3	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.5	175.7	-173	75.9	0	0	0	109.3	I203 W209 D308 I310 L571 I581 Y582 V584	I203-L569 HydrophobicContact CD1-CD2 4.14Å; I203-L569 HydrophobicContact CG2-CD2 3.82Å; W209-L569 HydrophobicContact CE3-CD2 4.03Å; W209-L569 HydrophobicContact CH2-CD2 3.74Å; W209-L569 HydrophobicContact CZ3-CD2 3.29Å; D308-L569 HydrophobicContact CB-CD1 4.03Å; D308-L569 HydrophobicContact CB-CG 4.46Å; I310-L569 HydrophobicContact CG1-CD1 4.14Å; L569-L571 HydrophobicContact CD2-CD2 4.01Å; L569-I581 CarbonylContact O-C 3.58Å; L569-I581 WeakPolarHBondContact O-CA 3.33Å; L569-Y582 PolarHBondContact N-O 3.16Å; L569-Y582 PolarHBondContact O-N 3.2Å; L569-V584 HydrophobicContact CB-CG2 3.72Å
570	M	94.3	Very high	93.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.5	171.8	-178.3	173	63.2	0	0	108.8	I297 W307 D308 L309 V556 F560 L579 R580 I581	I297-M570 HydrophobicContact CD1-CE 3.87Å; I297-M570 HydrophobicContact CG1-CE 3.79Å; W307-M570 HydrophobicContact CH2-CE 4.21Å; W307-M570 HydrophobicContact CZ3-CE 4.12Å; D308-M570 CarbonylContact C-O 3.47Å; D308-M570 VanDerWaalsContact CA-O 3.27Å; D308-M570 WeakPolarHBondContact CA-O 3.45Å; L309-M570 HydrophobicContact CB-CE 4.47Å; L309-M570 HydrophobicContact CD1-CE 3.87Å; L309-M570 PolarHBondContact N-O 2.89Å; L309-M570 PolarHBondContact O-N 2.89Å; V556-M570 HydrophobicContact CG1-CE 4.14Å; V556-M570 HydrophobicContact CG1-SD 3.9Å; V556-M570 HydrophobicContact CG2-SD 4.38Å; F560-M570 HydrophobicContact CE2-SD 4.43Å; F560-M570 HydrophobicContact CZ-CB 4.31Å; M570-L579 HydrophobicContact SD-CD1 4.31Å; M570-R580 WeakPolarHBondContact CA-O 3.42Å; M570-I581 HydrophobicContact CB-CG1 4.4Å; M570-I581 HydrophobicContact CG-CG1 4.12Å
571	L	93.3	Very high	93.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.4	-177.4	70.5	98.1	0	0	0	112.5	I203 I205 W307 D308 L569 L579 R580 Y582	I203-L571 HydrophobicContact CG2-CD2 4.33Å; I205-L571 HydrophobicContact CD1-CD2 4.32Å; I205-L571 HydrophobicContact CG1-CD2 4.28Å; W307-L571 CarbonylContact O-C 3.56Å; W307-L571 WeakPolarHBondContact O-CA 3.18Å; D308-L571 HydrophobicContact CB-CB 3.9Å; L569-L571 HydrophobicContact CD2-CD2 4.01Å; L571-L579 WeakPolarHBondContact O-CA 3.24Å; L571-R580 HydrophobicContact CD1-CB 4.49Å; L571-R580 HydrophobicContact CG-CB 4.39Å; L571-R580 PolarHBondContact N-O 2.8Å; L571-R580 PolarHBondContact O-N 2.75Å; L571-Y582 HydrophobicContact CD2-CD2 3.51Å; L571-Y582 HydrophobicContact CD2-CE2 3.45Å; L571-Y582 VanDerWaalsContact CD2-CE2 3.45Å; L571-Y582 HydrophobicContact CG-CD2 4.29Å; L571-Y582 HydrophobicContact CG-CE2 4.07Å
572	K	94.6	Very high	93.4	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.5	170.5	171.2	51.4	177.3	58.2	0	109.8	F217 V304 W307 K576 V578 L579	F217-K572 HydrophobicContact CE1-CD 4.03Å; F217-K572 HydrophobicContact CZ-CD 3.59Å; V304-K572 PolarHBondContact O-NZ 3.02Å; W307-K572 HydrophobicContact CD2-CB 4.05Å; W307-K572 HydrophobicContact CG-CB 4.16Å; W307-K572 HydrophobicContact CZ2-CB 4.22Å; W307-K572 PolarHBondContact O-N 3.02Å; K572-K576 WeakPolarHBondContact CE-O 3.24Å; K572-K576 PolarHBondContact NZ-O 2.83Å; K572-V578 WeakPolarHBondContact CD-O 3.46Å; K572-L579 HydrophobicContact CB-CD2 3.81Å; K572-L579 HydrophobicContact CD-CD2 4.05Å; K572-L579 HydrophobicContact CG-CD2 4.44Å
573	D	92.6	Very high	93.4	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.064	17%	0.173	C	C	.	.			trans	-58.6	131	177	-177.8	-62.6	0	0	0	110.8	N575 K576 V578 R580	D573-N575 PolarHBondContact O-N 3.28Å; D573-N575 PolarHBondContact OD1-N 3.3Å; D573-K576 HydrophobicContact CB-CB 4.16Å; D573-K576 VanDerWaalsContact O-O 3.08Å; D573-K576 PolarHBondContact OD1-N 2.89Å; D573-V578 HydrophobicContact CB-CG2 3.75Å; D573-V578 PolarHBondContact N-O 2.88Å; D573-V578 VanDerWaalsContact N-O 3.12Å; D573-R580 IonicContact OD2-CZ 3.05Å; D573-R580 IonicContact OD2-NH1 2.77Å; D573-R580 PolarHBondContact OD2-NH1 3.49Å; D573-R580 IonicContact OD2-NH2 2.72Å; D573-R580 PolarHBondContact OD2-NH2 2.68Å
574	P	91.3	Very high	93.3	Very high	15 Å²	15	31.5 Å²	31.5	10%	0.097	17%	0.168	C	C	.	.	S	Bend	trans	-66.4	-22	-173.5	25.4	-36.2	0	0	0	114.7	R199 D200 A201 P306	R199-P574 HydrophobicContact CB-CB 3.82Å; R199-P574 WeakPolarHBondContact O-CB 2.96Å; D200-P574 VanDerWaalsContact O-CB 3.23Å; D200-P574 WeakPolarHBondContact O-CB 3.37Å; A201-P574 HydrophobicContact CB-CG 4.13Å; P306-P574 HydrophobicContact CB-CB 4.05Å; P306-P574 HydrophobicContact CG-CB 4.17Å
575	N	90.8	Very high	92.8	Very high	72 Å²	72	29.5 Å²	29.5	39%	0.385	16%	0.155	S	C	.	.	S	Bend	trans	-123.8	-14.6	-171.8	-64.2	-68	0	0	0	113.5	R199 D573	R199-N575 PolarHBondContact N-OD1 3.38Å; R199-N575 PolarHBondContact O-ND2 2.88Å; D573-N575 PolarHBondContact O-N 3.28Å; D573-N575 PolarHBondContact OD1-N 3.3Å
576	K	92.3	Very high	91.8	Very high	111 Å²	111	31.2 Å²	31.2	48%	0.483	16%	0.163	S	C	.	.	S	Bend	trans	-118	147.2	178.9	-62.5	178.3	-175.5	172.9	0	111.7	K572 D573 V578	K572-K576 WeakPolarHBondContact CE-O 3.24Å; K572-K576 PolarHBondContact NZ-O 2.83Å; D573-K576 HydrophobicContact CB-CB 4.16Å; D573-K576 VanDerWaalsContact O-O 3.08Å; D573-K576 PolarHBondContact OD1-N 2.89Å; K576-V578 HydrophobicContact CB-CG2 3.89Å; K576-V578 PolarHBondContact O-N 3.33Å
577	P	93.7	Very high	90.4	Very high	58 Å²	58	37.6 Å²	37.6	38%	0.377	20%	0.195	S	C	.	.	S	Bend	trans	-81.5	60.4	176.5	35.4	-36.1	0	0	0	111.3	F217	F217-P577 HydrophobicContact CB-CB 4.29Å; F217-P577 WeakPolarHBondContact CB-O 3.48Å; F217-P577 WeakPolarHBondContact CD1-O 3.48Å; F217-P577 HydrophobicContact CD2-CB 3.59Å; F217-P577 HydrophobicContact CE2-CB 4.08Å; F217-P577 HydrophobicContact CG-CB 3.92Å; F217-P577 WeakPolarHBondContact CG-O 3.42Å; F217-P577 PolarHBondContact N-O 3.19Å; F217-P577 VanDerWaalsContact N-O 3.14Å
578	V	94.9	Very high	88.8	Confident	12 Å²	12	37 Å²	37	7%	0.073	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.5	-178.9	-56.7	0	0	0	0	110.2	E214 L215 D216 K572 D573 K576	E214-V578 HydrophobicContact CG-CB 3.87Å; E214-V578 HydrophobicContact CG-CG1 4.31Å; E214-V578 HydrophobicContact CG-CG2 4.05Å; L215-V578 CarbonylContact O-C 3.53Å; L215-V578 WeakPolarHBondContact O-CA 3.28Å; D216-V578 HydrophobicContact CB-CG1 4.17Å; K572-V578 WeakPolarHBondContact CD-O 3.46Å; D573-V578 HydrophobicContact CB-CG2 3.75Å; D573-V578 PolarHBondContact N-O 2.88Å; D573-V578 VanDerWaalsContact N-O 3.12Å; K576-V578 HydrophobicContact CB-CG2 3.89Å; K576-V578 PolarHBondContact O-N 3.33Å
579	L	94.7	Very high	86.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139	165.5	-58.4	177.3	0	0	0	108.7	E214 L215 F217 L220 C300 W307 M570 L571 K572	E214-L579 CarbonylContact C-O 3.6Å; E214-L579 WeakPolarHBondContact CA-O 3.29Å; L215-L579 HydrophobicContact CB-CB 4.31Å; L215-L579 PolarHBondContact N-O 3.34Å; L215-L579 PolarHBondContact O-N 2.6Å; F217-L579 HydrophobicContact CE1-CD2 4.22Å; F217-L579 HydrophobicContact CE1-CG 4.1Å; L220-L579 HydrophobicContact CD1-CD1 3.98Å; L220-L579 HydrophobicContact CD1-CG 4.48Å; C300-L579 HydrophobicContact CB-CD1 4.18Å; W307-L579 HydrophobicContact CH2-CD2 3.85Å; W307-L579 HydrophobicContact CZ2-CD2 3.71Å; M570-L579 HydrophobicContact SD-CD1 4.31Å; L571-L579 WeakPolarHBondContact O-CA 3.24Å; K572-L579 HydrophobicContact CB-CD2 3.81Å; K572-L579 HydrophobicContact CD-CD2 4.05Å; K572-L579 HydrophobicContact CG-CD2 4.44Å
580	R	94.6	Very high	84.6	Confident	39 Å²	39	43 Å²	43	15%	0.147	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.2	172.2	-67	-167.4	-179.1	115.7	18.8	109.8	E214 M570 L571 D573 Y582	E214-R580 HydrophobicContact CG-CG 4.24Å; E214-R580 IonicContact OE2-CZ 3.67Å; E214-R580 IonicContact OE2-NE 2.97Å; E214-R580 PolarHBondContact OE2-NE 3.31Å; E214-R580 IonicContact OE2-NH2 3.46Å; E214-R580 PolarHBondContact OE2-NH2 3.17Å; M570-R580 WeakPolarHBondContact CA-O 3.42Å; L571-R580 HydrophobicContact CD1-CB 4.49Å; L571-R580 HydrophobicContact CG-CB 4.39Å; L571-R580 PolarHBondContact N-O 2.8Å; L571-R580 PolarHBondContact O-N 2.75Å; D573-R580 IonicContact OD2-CZ 3.05Å; D573-R580 IonicContact OD2-NH1 2.77Å; D573-R580 PolarHBondContact OD2-NH1 3.49Å; D573-R580 IonicContact OD2-NH2 2.72Å; D573-R580 PolarHBondContact OD2-NH2 2.68Å; R580-Y582 HydrophobicContact CB-CD2 4.24Å; R580-Y582 HydrophobicContact CB-CE2 3.52Å; R580-Y582 WeakPolarHBondContact CD-OH 3.41Å; R580-Y582 HydrophobicContact CG-CE2 4.49Å
581	I	95.1	Very high	82.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.1	176.9	-55.4	172.8	0	0	0	108.7	L212 E213 L215 F559 F560 L569 M570	L212-I581 HydrophobicContact CD1-CG2 4.16Å; L212-I581 PolarHBondContact N-O 2.83Å; E213-I581 PolarHBondContact O-N 3.17Å; L215-I581 HydrophobicContact CD1-CD1 4.25Å; F559-I581 HydrophobicContact CD1-CD1 3.54Å; F559-I581 HydrophobicContact CE1-CB 4.27Å; F559-I581 HydrophobicContact CE1-CD1 3.52Å; F559-I581 HydrophobicContact CE1-CG1 4.48Å; F559-I581 HydrophobicContact CE1-CG2 3.82Å; F559-I581 HydrophobicContact CG-CD1 4.18Å; F559-I581 HydrophobicContact CZ-CD1 4.12Å; F559-I581 HydrophobicContact CZ-CG2 4.49Å; F560-I581 HydrophobicContact CE1-CG2 3.63Å; F560-I581 HydrophobicContact CE2-CD1 4.38Å; F560-I581 HydrophobicContact CZ-CD1 4.02Å; F560-I581 HydrophobicContact CZ-CG1 4.3Å; F560-I581 HydrophobicContact CZ-CG2 3.68Å; L569-I581 CarbonylContact O-C 3.58Å; L569-I581 WeakPolarHBondContact O-CA 3.33Å; M570-I581 HydrophobicContact CB-CG1 4.4Å; M570-I581 HydrophobicContact CG-CG1 4.12Å
582	Y	94	Very high	79.5	Confident	21 Å²	21	51.7 Å²	51.7	8%	0.082	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.6	179.2	-68.5	-95.8	0	0	0	110.6	I205 W209 T210 M211 Y568 L569 L571 R580	I205-Y582 HydrophobicContact CD1-CE2 4.29Å; I205-Y582 HydrophobicContact CG2-CD1 4.42Å; I205-Y582 HydrophobicContact CG2-CE1 3.86Å; W209-Y582 HydrophobicContact CB-CD1 4.02Å; T210-Y582 CarbonylContact O-C 3.55Å; T210-Y582 VanDerWaalsContact O-CA 3.28Å; T210-Y582 WeakPolarHBondContact O-CA 3.34Å; M211-Y582 HydrophobicContact CB-CD1 3.99Å; M211-Y582 HydrophobicContact CB-CE1 3.63Å; M211-Y582 HydrophobicContact CG-CE1 4.06Å; Y568-Y582 CarbonylContact C-O 3.58Å; Y568-Y582 VanDerWaalsContact CA-O 3.3Å; Y568-Y582 WeakPolarHBondContact CA-O 3.45Å; L569-Y582 PolarHBondContact N-O 3.16Å; L569-Y582 PolarHBondContact O-N 3.2Å; L571-Y582 HydrophobicContact CD2-CD2 3.51Å; L571-Y582 HydrophobicContact CD2-CE2 3.45Å; L571-Y582 VanDerWaalsContact CD2-CE2 3.45Å; L571-Y582 HydrophobicContact CG-CD2 4.29Å; L571-Y582 HydrophobicContact CG-CE2 4.07Å; R580-Y582 HydrophobicContact CB-CD2 4.24Å; R580-Y582 HydrophobicContact CB-CE2 3.52Å; R580-Y582 WeakPolarHBondContact CD-OH 3.41Å; R580-Y582 HydrophobicContact CG-CE2 4.49Å
583	S	93.2	Very high	77.2	Confident	34 Å²	34	55 Å²	55	24%	0.238	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.7	163.4	-171.4	0	0	0	0	109	T210	T210-S583 PolarHBondContact N-O 3.23Å; T210-S583 PolarHBondContact O-N 3.17Å; T210-S583 WeakPolarHBondContact OG1-CB 3.22Å
584	V	89	Confident	74.7	Confident	12 Å²	12	58.2 Å²	58.2	7%	0.073	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.9	-176.8	-176.7	0	0	0	0	108.7	W209 K567 L569 A588	W209-V584 HydrophobicContact CD2-CG2 4.27Å; K567-V584 PolarHBondContact O-N 3.4Å; K567-V584 VanDerWaalsContact O-O 3.13Å; L569-V584 HydrophobicContact CB-CG2 3.72Å; V584-A588 HydrophobicContact CG1-CB 3.44Å; V584-A588 VanDerWaalsContact CG1-CB 3.44Å
585	P	84.3	Confident	72.1	Confident	50 Å²	50	66.3 Å²	66.3	33%	0.325	36%	0.359	S	S	.	.			trans	-55.5	145.5	173.4	-24.3	34.4	0	0	0	112	D587 A588	P585-D587 PolarHBondContact O-N 3.44Å; P585-A588 WeakPolarHBondContact O-CB 3.05Å; P585-A588 PolarHBondContact O-N 3.14Å; P585-A588 VanDerWaalsContact O-N 3.1Å
586	Q	71.6	Confident	69.6	Low	156 Å²	156	70.7 Å²	70.7	73%	0.729	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.9	-179	-69.9	-176.3	-2.9	0	0	112.8	A588	Q586-A588 PolarHBondContact O-N 2.81Å
587	D	63.7	Low	67	Low	146 Å²	146	68.5 Å²	68.5	78%	0.781	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.8	179.6	-53.3	-34	0	0	0	113.5	P585 S589	P585-D587 PolarHBondContact O-N 3.44Å; D587-S589 PolarHBondContact O-N 2.74Å
588	A	58.9	Low	64.1	Low	22 Å²	22	71.5 Å²	71.5	18%	0.182	40%	0.403	C	S	.	.			trans	-75.6	74.7	170.5	0	0	0	0	0	108.8	K567 V584 P585 Q586	K567-A588 PolarHBondContact NZ-O 2.92Å; V584-A588 HydrophobicContact CG1-CB 3.44Å; V584-A588 VanDerWaalsContact CG1-CB 3.44Å; P585-A588 WeakPolarHBondContact O-CB 3.05Å; P585-A588 PolarHBondContact O-N 3.14Å; P585-A588 VanDerWaalsContact O-N 3.1Å; Q586-A588 PolarHBondContact O-N 2.81Å
589	S	47.4	Very low	61.5	Low	54 Å²	54	73.9 Å²	73.9	38%	0.378	42%	0.42	S	S	.	.			trans	-63.7	140.9	167.4	38.1	0	0	0	0	109.3	D587 S591 D592	D587-S589 PolarHBondContact O-N 2.74Å; S589-S591 WeakPolarHBondContact CB-OG 3.35Å; S589-S591 PolarHBondContact O-N 3.09Å; S589-S591 PolarHBondContact OG-OG 3.17Å; S589-D592 PolarHBondContact O-N 3Å; S589-D592 PolarHBondContact OG-OD1 2.97Å
590	D	52.4	Low	59	Low	81 Å²	81	81.9 Å²	81.9	43%	0.433	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-63.1	-10.2	177.9	-55.9	-35.7	0	0	0	111.9	K567 C594	K567-D590 IonicContact NZ-OD1 2.66Å; K567-D590 PolarHBondContact NZ-OD1 3.37Å; K567-D590 IonicContact NZ-OD2 3.54Å; D590-C594 PolarHBondContact O-SG 3.19Å
591	S	41.2	Very low	56.6	Low	72 Å²	72	82.6 Å²	82.6	50%	0.503	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-78.8	-26	180	56.3	0	0	0	0	115.2	S589 E593	S589-S591 WeakPolarHBondContact CB-OG 3.35Å; S589-S591 PolarHBondContact O-N 3.09Å; S589-S591 PolarHBondContact OG-OG 3.17Å; S591-E593 PolarHBondContact O-N 2.56Å
592	D	40.2	Very low	54.1	Low	113 Å²	113	87.6 Å²	87.6	60%	0.604	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-78.3	-0.5	-174.6	-71.5	12.3	0	0	0	112.3	S589	S589-D592 PolarHBondContact O-N 3Å; S589-D592 PolarHBondContact OG-OD1 2.97Å
593	E	45.4	Very low	51.5	Low	75 Å²	75	89.4 Å²	89.4	35%	0.35	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-112.3	-2.5	-176.9	-58.3	-168.5	171.6	0	0	113.1	K206 S591	K206-E593 WeakPolarHBondContact CE-OE1 3.3Å; K206-E593 IonicContact NZ-OE1 2.67Å; K206-E593 PolarHBondContact NZ-OE1 3.16Å; S591-E593 PolarHBondContact O-N 2.56Å
594	C	41.2	Very low	49	Very low	79 Å²	79	90.7 Å²	90.7	53%	0.534	51%	0.511	S	S	.	.	S	Bend	trans	-86	-18	-179.3	-54	0	0	0	0	114	D590	D590-C594 PolarHBondContact O-SG 3.19Å
595	E	35.3	Very low	46.7	Very low	185 Å²	185	93.6 Å²	93.6	86%	0.864	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.3	-175.4	-76.6	-169	155.6	0	0	114.3
596	D	38.8	Very low	44.5	Very low	165 Å²	165	95.3 Å²	95.3	88%	0.882	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	6.5	-170.6	-78	-34.5	0	0	0	115.6
597	G	37.6	Very low	42.8	Very low	64 Å²	64	94.5 Å²	94.5	66%	0.66	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	-18.5	-168.2	0	0	0	0	0	118.3
598	I	33.7	Very low	41.5	Very low	122 Å²	122	93.5 Å²	93.5	63%	0.626	52%	0.522	S	S	*	.			trans	-102.4	100.6	-175.1	-53.6	172.3	0	0	0	108.3	E600	I598-E600 PolarHBondContact O-N 3.42Å
599	S	39.8	Very low	40.4	Very low	61 Å²	61	98.9 Å²	98.9	43%	0.427	54%	0.543	S	S	.	.			trans	-61.9	128.7	163.9	53.5	0	0	0	0	108.5	E601 E602	S599-E601 PolarHBondContact O-N 2.84Å; S599-E602 PolarHBondContact O-N 3.27Å
600	E	41.2	Very low	39.9	Very low	168 Å²	168	100.6 Å²	100.6	79%	0.785	55%	0.548	S	S	*	.	H	α-helix	trans	-49	-20.7	172.7	-66.5	178.3	159.2	0	0	112.8	I598 E602 A603 V604	I598-E600 PolarHBondContact O-N 3.42Å; E600-E602 VanDerWaalsContact C-N 3.27Å; E600-E602 PolarHBondContact O-N 3.3Å; E600-A603 PolarHBondContact O-N 3.11Å; E600-V604 VanDerWaalsContact O-CG2 3.3Å; E600-V604 WeakPolarHBondContact O-CG2 2.79Å; E600-V604 PolarHBondContact O-N 3.34Å
601	E	44.9	Very low	38.9	Very low	55 Å²	55	100.6 Å²	100.6	26%	0.257	55%	0.554	S	S	.	*	H	α-helix	trans	-59.4	-27.5	173.7	-65.5	-167.1	142.6	0	0	114.4	G71 S72 S599 I605	G71-E601 WeakPolarHBondContact CA-OE1 3.43Å; S72-E601 WeakPolarHBondContact CB-OE1 3.25Å; S72-E601 PolarHBondContact N-OE1 2.98Å; S72-E601 PolarHBondContact OG-OE1 3.25Å; S599-E601 PolarHBondContact O-N 2.84Å; E601-I605 WeakPolarHBondContact O-CD1 3.1Å; E601-I605 WeakPolarHBondContact O-CG1 3.35Å
602	E	41.8	Very low	38.3	Very low	105 Å²	105	105.4 Å²	105.4	49%	0.491	57%	0.569	S	S	.	*	H	α-helix	trans	-85.2	-28.9	178.5	-71.3	-167.2	155.2	0	0	113.3	S599 E600	S599-E602 PolarHBondContact O-N 3.27Å; E600-E602 VanDerWaalsContact C-N 3.27Å; E600-E602 PolarHBondContact O-N 3.3Å
603	A	39.4	Very low	37.8	Very low	59 Å²	59	105.3 Å²	105.3	49%	0.488	58%	0.575	S	S	.	*	H	α-helix	trans	-69.8	-36.5	172.8	0	0	0	0	0	111.6	E600 I605 V606 E607	E600-A603 PolarHBondContact O-N 3.11Å; A603-I605 PolarHBondContact O-N 3.17Å; A603-V606 PolarHBondContact O-N 3.05Å; A603-E607 PolarHBondContact O-N 2.73Å
604	V	40.5	Very low	37.1	Very low	61 Å²	61	106.8 Å²	106.8	37%	0.37	59%	0.593	S	S	.	*	H	α-helix	trans	-71.5	-29	-178.2	176	0	0	0	0	112.7	E600 V606 E607 Q608	E600-V604 VanDerWaalsContact O-CG2 3.3Å; E600-V604 WeakPolarHBondContact O-CG2 2.79Å; E600-V604 PolarHBondContact O-N 3.34Å; V604-V606 VanDerWaalsContact C-N 3.34Å; V604-V606 PolarHBondContact O-N 2.72Å; V604-E607 PolarHBondContact O-N 3.45Å; V604-Q608 HydrophobicContact CG1-CG 4.05Å; V604-Q608 WeakPolarHBondContact O-CB 3.41Å; V604-Q608 WeakPolarHBondContact O-CG 3.44Å; V604-Q608 PolarHBondContact O-N 3.23Å
605	I	41.4	Very low	36.4	Very low	72 Å²	72	112.4 Å²	112.4	37%	0.369	61%	0.609	S	S	.	*	H	α-helix	trans	-70.6	-32.6	179	-66.1	166.3	0	0	0	111.3	E601 A603 Q609	E601-I605 WeakPolarHBondContact O-CD1 3.1Å; E601-I605 WeakPolarHBondContact O-CG1 3.35Å; A603-I605 PolarHBondContact O-N 3.17Å; I605-Q609 WeakPolarHBondContact O-CG 3.45Å; I605-Q609 PolarHBondContact O-N 3.24Å; I605-Q609 VanDerWaalsContact O-N 3.13Å
606	V	39.1	Very low	36.1	Very low	87 Å²	87	109.1 Å²	109.1	53%	0.527	60%	0.601	S	S	.	*	H	α-helix	trans	-69.9	-36.6	175.7	-177.1	0	0	0	0	110.7	A603 V604 N610	A603-V606 PolarHBondContact O-N 3.05Å; V604-V606 VanDerWaalsContact C-N 3.34Å; V604-V606 PolarHBondContact O-N 2.72Å; V606-N610 WeakPolarHBondContact O-CB 3.13Å; V606-N610 PolarHBondContact O-N 3.06Å; V606-N610 PolarHBondContact O-ND2 3.02Å; V606-N610 PolarHBondContact O-OD1 3.01Å
607	E	35.2	Very low	35.6	Very low	139 Å²	139	109.5 Å²	109.5	65%	0.65	60%	0.598	S	S	*	*	H	α-helix	trans	-75	-37.5	174.8	-74.1	-171.8	155.5	0	0	113.5	A603 V604 N610 S611	A603-E607 PolarHBondContact O-N 2.73Å; V604-E607 PolarHBondContact O-N 3.45Å; E607-N610 CarbonylContact O-C 3.53Å; E607-N610 PolarHBondContact O-N 3.26Å; E607-N610 VanDerWaalsContact O-N 3.1Å; E607-S611 WeakPolarHBondContact O-CB 3.48Å; E607-S611 PolarHBondContact O-N 2.8Å; E607-S611 VanDerWaalsContact O-N 3.08Å; E607-S611 PolarHBondContact O-OG 3.05Å
608	Q	35.5	Very low	35.4	Very low	124 Å²	124	111.9 Å²	111.9	58%	0.579	60%	0.599	S	S	*	*	H	α-helix	trans	-70.6	-33.3	179.6	-76.8	-178.9	-1.6	0	0	113	V604 N610 S611	V604-Q608 HydrophobicContact CG1-CG 4.05Å; V604-Q608 WeakPolarHBondContact O-CB 3.41Å; V604-Q608 WeakPolarHBondContact O-CG 3.44Å; V604-Q608 PolarHBondContact O-N 3.23Å; Q608-N610 PolarHBondContact O-N 3.25Å; Q608-S611 WeakPolarHBondContact CA-OG 3.28Å
609	Q	36.7	Very low	35.3	Very low	135 Å²	135	113.1 Å²	113.1	63%	0.631	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-15.6	171.1	-70.1	-174.5	0.4	0	0	112.9	R260 I605	R260-Q609 PolarHBondContact NH1-O 2.75Å; I605-Q609 WeakPolarHBondContact O-CG 3.45Å; I605-Q609 PolarHBondContact O-N 3.24Å; I605-Q609 VanDerWaalsContact O-N 3.13Å
610	N	36	Very low	35	Very low	91 Å²	91	117.1 Å²	117.1	49%	0.487	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	-12.9	178.8	-66.6	-1.7	0	0	0	113.8	R260 V606 E607 Q608	R260-N610 PolarHBondContact NH1-OD1 3.38Å; R260-N610 PolarHBondContact NH2-OD1 3.44Å; V606-N610 WeakPolarHBondContact O-CB 3.13Å; V606-N610 PolarHBondContact O-N 3.06Å; V606-N610 PolarHBondContact O-ND2 3.02Å; V606-N610 PolarHBondContact O-OD1 3.01Å; E607-N610 CarbonylContact O-C 3.53Å; E607-N610 PolarHBondContact O-N 3.26Å; E607-N610 VanDerWaalsContact O-N 3.1Å; Q608-N610 PolarHBondContact O-N 3.25Å
611	S	31.6	Very low	34.5	Very low	80 Å²	80	118.3 Å²	118.3	56%	0.559	63%	0.632	S	S	*	*	S	Bend	trans	-115.3	5.1	-167.2	51.8	0	0	0	0	116.2	E607 Q608 P613	E607-S611 WeakPolarHBondContact O-CB 3.48Å; E607-S611 PolarHBondContact O-N 2.8Å; E607-S611 VanDerWaalsContact O-N 3.08Å; E607-S611 PolarHBondContact O-OG 3.05Å; Q608-S611 WeakPolarHBondContact CA-OG 3.28Å; S611-P613 WeakPolarHBondContact O-CD 3.33Å
612	E	28.3	Very low	34.1	Very low	173 Å²	173	120.9 Å²	120.9	81%	0.808	66%	0.656	S	S	*	*			trans	-100.7	101	174.1	-73.6	-163.4	162.5	0	0	113.6	S614	E612-S614 PolarHBondContact O-N 3.38Å
613	P	29.8	Very low	33.7	Very low	111 Å²	111	119.4 Å²	119.4	72%	0.721	67%	0.669	S	S	*	*			trans	-76.1	104.2	156.9	30.1	-29.1	0	0	0	108.4	S611 K615	S611-P613 WeakPolarHBondContact O-CD 3.33Å; P613-K615 PolarHBondContact O-N 3.27Å
614	S	30.6	Very low	33.6	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	69%	0.687	S	S	*	*			trans	-64.2	97.1	169.1	51.4	0	0	0	0	110.2	E612 T616	E612-S614 PolarHBondContact O-N 3.38Å; S614-T616 PolarHBondContact O-N 3.36Å
615	K	27	Very low	33.5	Very low	197 Å²	197	130.5 Å²	130.5	86%	0.857	71%	0.711	S	S	*	*			trans	-73.8	94.5	161.3	-75.5	-178.7	178.4	175.6	0	108.2	P613	P613-K615 PolarHBondContact O-N 3.27Å
616	T	29.6	Very low	33.3	Very low	115 Å²	115	135.6 Å²	135.6	71%	0.706	73%	0.734	S	S	*	*			trans	-99	94.4	165.1	-27.2	0	0	0	0	108.2	S614 V618	S614-T616 PolarHBondContact O-N 3.36Å; T616-V618 PolarHBondContact O-N 3.24Å
617	E	28.6	Very low	33.5	Very low	173 Å²	173	139.5 Å²	139.5	81%	0.808	75%	0.752	S	S	*	*			trans	-65.6	110.3	167.3	-74.5	-176.7	162.1	0	0	109.3	N619	E617-N619 PolarHBondContact O-N 3.3Å
618	V	32.7	Very low	33.8	Very low	115 Å²	115	136 Å²	136	70%	0.697	75%	0.753	S	S	*	*			trans	-85.9	98.5	168.9	-176.5	0	0	0	0	108.1	T616 N620	T616-V618 PolarHBondContact O-N 3.24Å; V618-N620 PolarHBondContact O-N 3.44Å; V618-N620 VanDerWaalsContact O-N 3.09Å
619	N	31.4	Very low	34.2	Very low	147 Å²	147	137.8 Å²	137.8	79%	0.786	77%	0.765	S	S	*	*			trans	-67	98.4	165.1	-91.4	-33.2	0	0	0	109.8	E617 M621	E617-N619 PolarHBondContact O-N 3.3Å; N619-M621 PolarHBondContact O-N 2.89Å
620	N	33.7	Very low	34.6	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	77%	0.773	S	S	*	*			trans	-86.1	97.2	162.5	-90.7	-17.5	0	0	0	109.3	V618 S622	V618-N620 PolarHBondContact O-N 3.44Å; V618-N620 VanDerWaalsContact O-N 3.09Å; N620-S622 PolarHBondContact O-N 2.55Å
621	M	30.9	Very low	35.2	Very low	192 Å²	192	137.9 Å²	137.9	95%	0.946	79%	0.788	S	S	*	*			trans	-71.4	100.4	159.4	-79.7	-177.4	163.2	0	0	109	N619	N619-M621 PolarHBondContact O-N 2.89Å
622	S	36.6	Very low	35.7	Very low	110 Å²	110	147 Å²	147	77%	0.769	82%	0.822	S	S	*	*			trans	-89.1	109.8	158.7	47.8	0	0	0	0	108.9	N620 H624	N620-S622 PolarHBondContact O-N 2.55Å; S622-H624 PolarHBondContact O-N 3.38Å
623	G	32.9	Very low	36.1	Very low	74 Å²	74	145.7 Å²	145.7	76%	0.763	82%	0.822	S	S	*	*			trans	-65.9	121.8	166.6	0	0	0	0	0	110.1
624	H	37.1	Very low	36.4	Very low	189 Å²	189	147.5 Å²	147.5	88%	0.875	83%	0.828	S	S	*	*			trans	-113.3	119.6	156.3	-107.9	33.9	0	0	0	108.6	S622	S622-H624 PolarHBondContact O-N 3.38Å
625	N	38.6	Very low	36.8	Very low	163 Å²	163	149.8 Å²	149.8	87%	0.872	83%	0.832	S	S	*	*			trans	-64.3	148.6	175.9	-87.9	-25.7	0	0	0	110.9
626	Q	37.2	Very low	37.3	Very low	180 Å²	180	147 Å²	147	84%	0.841	83%	0.831	S	S	*	*			trans	-52.7	138.8	172.9	-65.5	160.2	-8.8	0	0	112.5
627	D	42.8	Very low	37.8	Very low	168 Å²	168	149 Å²	149	90%	0.898	84%	0.838	S	S	*	*			trans	-171	113.8	134.7	-81.9	-29.9	0	0	0	103.3
628	G	41.5	Very low	38.5	Very low	66 Å²	66	147.4 Å²	147.4	68%	0.68	84%	0.84	S	S	*	*			cis	104	105.4	41.2	0	0	0	0	0	108.1
629	I	45	Very low	38.9	Very low	161 Å²	161	149.7 Å²	149.7	83%	0.826	85%	0.851	S	S	*	*			trans	100.5	101.3	155.3	-52.4	162.1	0	0	0	117.3
630	D	45.2	Very low	39.4	Very low	151 Å²	151	149.9 Å²	149.9	81%	0.807	86%	0.856	S	S	*	*				44.6	112.5	128.8	-55.3	-28.6	0	0	0	121.6
631	G	49.3	Very low	39.9	Very low	77 Å²	77	150.3 Å²	150.3	79%	0.794	86%	0.862	S	S	*	*				60.6	81	109.3	0	0	0	0	0	119.1
632	Q	41.9	Very low	40.7	Very low	272 Å²	272	146.5 Å²	146.5	100%	1.271	85%	0.854	S	S	*	*				-166.4	0	125.9	-109.4	-179.8	11.1	0	0	110.6

Retrieved 632 of 632 residues in 858.5 ms (Link to these results)

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