A0A087XVB2_POEFO Loading...

Family with sequence similarity 83 member B

AlphaFold DB , UniProt , Accession A0A087XVB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 912 aa.

						>A0A087XVB2_POEFO|A0A087XVB2
MEVGYFTSSLGDFHKGHYQNVVNKQSGEMDSTEFSLLSSLRGEVKHEDFVQPHYKESYRLAIDRLIKDGRESYFEFLKEERIASFLSEDEIVFLTSNVEQLPSQNQTEEIVDPTDNQSSSGTYWPTHSDVEMPNLDLGWPPVQHEKHPTNINLLYHPPRLNNPTIKEVIRKHIQDARTVIAIVMDKFTDVDIFKEIVDASVRGVPVYVLLDDDNFKSFLKMADDHDIKLQQLRNMRVRTVKGPDYLCRSGAKFHGAMEQKFLLIDCHTAIYGSYSFSWSFEKIHLSMVQVITGRLVKSYDEEFRTLYARSIVRAELGTPLEGTSNSSFFGQHMLSRHHSAPKIGRNDHMRHTLDVANWKTGEMNSGTRDRLIKEGGIFLSPLMKTSQLEFETLDEMNLRKRHSYAWETQDGCIPHNTRPRGSNWNIQRDSSILPHNYAMDNYLQVQQIHRGQHMRQSYNGLDKQVLSMQQNLPTLEKTSKSFMRTWRIESYLKNPDAPSPDTFDYLDQFETVDKANSFMQGHMRNSISVRSPIPERLEPSRLINTPSCHTGYSAAPNAPLHYNSVYWDAAAAENRMNTKRKSLQILDNFDSYSSGKNSYHSTYSSLSRSKHGQMNTIPDMLTDSWQKRHSVADPRSSTEHPYETSSHMYGHFVRTEVNRSTAEIPVQNGGYKTSMNEDQRSLSHYDVKKIADKKGPNIRIFHKPPTRTVSAAALHLNNKELANKSNSMISQPMPKNSSTKMQSLLNIQEGKEDFRTMETTSLNSCESSDTLTADDDARSIQSGEKPQQSSTNSVKSSPESHLTSEKPQFKTEEHQDHQVNPPSKTTIQKKPSFLGRNTKPAAESRVYSRFEPFSSLEKKSSLLSGSKRAQSKSLTRGEAAFEGSHNQATRGHQENKLEKFFHRVGSLLSKNK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	30.3	Very low	222 Å²	222	122.8 Å²	122.8	100%	1.094	68%	0.681	S	S	*	*				0	129.3	0	-76.5	161.6	158.5	0	0	107.8
2	E	32.4	Very low	30.2	Very low	111 Å²	111	124.3 Å²	124.3	52%	0.519	69%	0.687	S	S	.	*			cis	-164	131.4	-18.7	-129.8	-177.4	139	0	0	113.6	D619 M620 L621	E2-D619 CarbonylContact C-O 3.44Å; E2-M620 CarbonylContact O-C 3.56Å; E2-M620 WeakPolarHBondContact O-CB 3.11Å; E2-L621 WeakPolarHBondContact O-CD1 3.22Å; E2-L621 WeakPolarHBondContact O-CG 3.11Å
3	V	34.2	Very low	30.1	Very low	69 Å²	69	128.1 Å²	128.1	42%	0.418	69%	0.692	S	S	.	*			trans	60.5	130.5	136.6	164.4	0	0	0	0	120.6	Y5 D619 M620	V3-Y5 HydrophobicContact CG1-CD2 4.33Å; V3-Y5 HydrophobicContact CG1-CE2 3.89Å; V3-D619 PolarHBondContact N-O 2.78Å; V3-M620 WeakPolarHBondContact O-CB 3.22Å; V3-M620 WeakPolarHBondContact O-CG 3.28Å
4	G	33.5	Very low	30.1	Very low	14 Å²	14	130.4 Å²	130.4	14%	0.144	70%	0.696	C	S	.	*			trans	-46.3	-168.2	180	0	0	0	0	0	120	D619 M620	G4-D619 WeakPolarHBondContact CA-OD2 3.24Å; G4-D619 PolarHBondContact N-OD2 3.08Å; G4-M620 WeakPolarHBondContact O-CE 3.44Å
5	Y	30.5	Very low	30.1	Very low	179 Å²	179	134.7 Å²	134.7	70%	0.702	71%	0.706	S	S	*	*			cis	-154.5	154.9	25.2	-82.9	-92.1	0	0	0	114.2	V3	V3-Y5 HydrophobicContact CG1-CD2 4.33Å; V3-Y5 HydrophobicContact CG1-CE2 3.89Å
6	F	26.9	Very low	29.8	Very low	174 Å²	174	131 Å²	131	76%	0.763	71%	0.71	S	S	*	*			trans	8.1	133.6	139.7	-75.5	-107.2	0	0	0	119.4
7	T	29.8	Very low	29.7	Very low	136 Å²	136	132.6 Å²	132.6	83%	0.834	71%	0.712	S	S	*	*				178.1	153.7	117.8	26.4	0	0	0	0	107.6
8	S	26	Very low	29.5	Very low	90 Å²	90	136.2 Å²	136.2	63%	0.629	72%	0.715	S	S	*	*			cis	161.1	154.6	-25	54.2	0	0	0	0	105.3
9	S	28.8	Very low	29.4	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	72%	0.717	S	S	*	*			trans	69.5	137.3	-172.3	80.8	0	0	0	0	114
10	L	26.1	Very low	29.2	Very low	179 Å²	179	137.5 Å²	137.5	94%	0.937	72%	0.718	S	S	*	*			cis	74.6	87.1	17	-157.1	85.6	0	0	0	115.1
11	G	27.5	Very low	29.1	Very low	63 Å²	63	137.7 Å²	137.7	65%	0.649	73%	0.725	S	S	*	*			trans	-168.9	125.3	168.1	0	0	0	0	0	112.1
12	D	28.8	Very low	28.8	Very low	141 Å²	141	132.8 Å²	132.8	75%	0.754	71%	0.707	S	S	*	*			trans	61.2	107.5	149.3	-56.7	-1.7	0	0	0	119.2
13	F	28.8	Very low	28.5	Very low	173 Å²	173	134.7 Å²	134.7	76%	0.759	72%	0.721	S	S	*	*				83.6	130.6	77.9	-79.5	-55.7	0	0	0	113.2
14	H	30	Very low	28.1	Very low	160 Å²	160	141.3 Å²	141.3	74%	0.741	74%	0.744	S	S	*	*			cis	-163.8	-179.6	-1.2	-157.1	24.9	0	0	0	112.9
15	K	29.6	Very low	27.7	Very low	196 Å²	196	149 Å²	149	85%	0.852	78%	0.776	S	S	*	*			trans	67.9	128.1	174.8	-60.5	-179.7	177.6	178.6	0	116.5
16	G	26.3	Very low	27.5	Very low	75 Å²	75	146 Å²	146	77%	0.773	78%	0.781	S	S	*	*			cis	-175.6	151.5	-5.3	0	0	0	0	0	111.8
17	H	27.6	Very low	27.4	Very low	158 Å²	158	141.6 Å²	141.6	73%	0.731	78%	0.784	S	S	*	*			trans	-151.9	140.5	-170.4	-134.2	25.7	0	0	0	111.4
18	Y	26.8	Very low	27.6	Very low	198 Å²	198	143.6 Å²	143.6	78%	0.776	78%	0.784	S	S	*	*			trans	63.7	161.3	-177.2	-48.3	-77	0	0	0	114.3
19	Q	26.4	Very low	27.7	Very low	161 Å²	161	147.8 Å²	147.8	75%	0.752	80%	0.796	S	S	*	*			cis	-155.3	153.9	11.7	-153.3	156.8	-15.2	0	0	112.1
20	N	26.7	Very low	27.8	Very low	136 Å²	136	148.3 Å²	148.3	73%	0.727	79%	0.79	S	S	*	*			trans	22.1	136.1	159	-57.6	-5.4	0	0	0	122.3
21	V	26.3	Very low	28	Very low	142 Å²	142	144.9 Å²	144.9	86%	0.861	78%	0.781	S	S	*	*				175.6	156.8	110.2	151.4	0	0	0	0	110.7
22	V	32	Very low	28.1	Very low	120 Å²	120	146 Å²	146	73%	0.727	78%	0.775	S	S	*	*			trans	-111.2	154	-176.7	168.7	0	0	0	0	111.4
23	N	26.4	Very low	28.3	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	77%	0.773	S	S	*	*			trans	75.9	106.8	173.2	-67	-23.4	0	0	0	119.4
24	K	24.8	Very low	28.4	Very low	208 Å²	208	147.4 Å²	147.4	90%	0.904	78%	0.777	S	S	*	*				-156.2	176.2	101.5	-128.2	-179.8	179	-176.1	0	111.8
25	Q	25.3	Very low	28.5	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.822	77%	0.765	S	S	*	*			trans	-108.1	-178.1	-160.4	-65.2	169.8	-84.6	0	0	114.6
26	S	25.6	Very low	28.8	Very low	116 Å²	116	139 Å²	139	81%	0.811	75%	0.752	S	S	*	*			trans	67.6	76.9	154.7	65.2	0	0	0	0	118
27	G	26.1	Very low	29.3	Very low	80 Å²	80	143.7 Å²	143.7	83%	0.825	76%	0.758	S	S	*	*				-97.7	122.8	125.2	0	0	0	0	0	107.6
28	E	33.1	Very low	29.7	Very low	179 Å²	179	140 Å²	140	84%	0.836	75%	0.75	S	S	*	*			trans	-88	114.7	-175.2	-165.9	159.2	-138.8	0	0	109.3
29	M	29	Very low	30	Very low	177 Å²	177	133.5 Å²	133.5	87%	0.872	73%	0.734	S	S	*	*			trans	-123.6	121.4	166.1	-79.7	-175.2	67.5	0	0	106.9
30	D	30	Very low	30.7	Very low	125 Å²	125	135.2 Å²	135.2	67%	0.668	75%	0.747	S	S	*	*			trans	-64.8	143.1	-158.9	-63.8	-66.9	0	0	0	114.3	T32	D30-T32 PolarHBondContact O-N 3.38Å
31	S	30.9	Very low	31.4	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	23.4	176.2	51.5	0	0	0	0	114.1	S35	S31-S35 PolarHBondContact O-OG 3.27Å
32	T	29.8	Very low	32.1	Very low	86 Å²	86	134.5 Å²	134.5	53%	0.528	73%	0.732	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	-44.2	-169	-53.1	0	0	0	0	112.3	D30 S35	D30-T32 PolarHBondContact O-N 3.38Å; T32-S35 WeakPolarHBondContact O-CB 3.33Å; T32-S35 PolarHBondContact O-N 3.28Å; T32-S35 VanDerWaalsContact O-N 3.14Å
33	E	31.6	Very low	32.7	Very low	151 Å²	151	138.1 Å²	138.1	71%	0.706	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-64.2	-48.7	-171.1	-63.5	-167.7	136.6	0	0	113.2	S35 L36	E33-S35 PolarHBondContact O-N 2.95Å; E33-S35 VanDerWaalsContact O-N 3.15Å; E33-L36 WeakPolarHBondContact O-CB 3.48Å; E33-L36 PolarHBondContact O-N 2.87Å
34	F	32.5	Very low	33.8	Very low	193 Å²	193	135.1 Å²	135.1	85%	0.846	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-70.6	-7.3	178	-68.6	-75.9	0	0	0	114.1
35	S	32	Very low	34.9	Very low	69 Å²	69	132.3 Å²	132.3	48%	0.483	72%	0.715	S	S	.	*	G	3₁₀ helix	trans	-84.6	-17.9	175.2	-63.4	0	0	0	0	112.8	S31 T32 E33 L37 S38	S31-S35 PolarHBondContact O-OG 3.27Å; T32-S35 WeakPolarHBondContact O-CB 3.33Å; T32-S35 PolarHBondContact O-N 3.28Å; T32-S35 VanDerWaalsContact O-N 3.14Å; E33-S35 PolarHBondContact O-N 2.95Å; E33-S35 VanDerWaalsContact O-N 3.15Å; S35-L37 PolarHBondContact O-N 2.92Å; S35-S38 PolarHBondContact O-N 3.14Å
36	L	35	Very low	36.3	Very low	110 Å²	110	131.9 Å²	131.9	58%	0.576	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-68.2	-32.3	-174.5	-64.5	172.7	0	0	0	113.7	E33 S38 S39	E33-L36 WeakPolarHBondContact O-CB 3.48Å; E33-L36 PolarHBondContact O-N 2.87Å; L36-S38 PolarHBondContact O-N 2.88Å; L36-S39 PolarHBondContact O-N 2.9Å
37	L	38.3	Very low	37.9	Very low	173 Å²	173	135.5 Å²	135.5	91%	0.906	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-74.3	-3	178.2	-67.1	175.4	0	0	0	114.3	S35	S35-L37 PolarHBondContact O-N 2.92Å
38	S	34.1	Very low	39.8	Very low	80 Å²	80	137.7 Å²	137.7	56%	0.559	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-117.7	13.8	-179.4	-172.4	0	0	0	0	112.7	S35 L36 R294	S35-S38 PolarHBondContact O-N 3.14Å; L36-S38 PolarHBondContact O-N 2.88Å; S38-R294 PolarHBondContact OG-NH2 3.38Å
39	S	34.3	Very low	41.5	Very low	62 Å²	62	135.6 Å²	135.6	43%	0.434	70%	0.698	S	S	.	*			trans	-134.9	105	-176.3	-174.2	0	0	0	0	111.8	L36 R41	L36-S39 PolarHBondContact O-N 2.9Å; S39-R41 PolarHBondContact O-N 3.15Å; S39-R41 PolarHBondContact OG-N 3.22Å
40	L	41.8	Very low	43.8	Very low	197 Å²	197	134 Å²	134	100%	1.031	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	44.8	163.7	-80.6	163.5	0	0	0	111.3
41	R	40.7	Very low	45.7	Very low	221 Å²	221	136.1 Å²	136.1	83%	0.834	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.3	26.8	-179	-153.7	-173.1	-66.7	-98.1	-0.4	112.1	S39	S39-R41 PolarHBondContact O-N 3.15Å; S39-R41 PolarHBondContact OG-N 3.22Å
42	G	39.8	Very low	47.6	Very low	42 Å²	42	136.9 Å²	136.9	43%	0.433	71%	0.706	S	S	.	*	S	Bend	trans	-75.6	143	153.5	0	0	0	0	0	109	V44	G42-V44 PolarHBondContact O-N 2.85Å; G42-V44 VanDerWaalsContact O-N 3.14Å
43	E	45	Very low	49.6	Very low	197 Å²	197	139.4 Å²	139.4	92%	0.921	71%	0.712	S	S	*	*			trans	-66.1	113.8	172.7	-68.6	-176	152.3	0	0	108.9	K45	E43-K45 PolarHBondContact O-N 3.35Å
44	V	50.5	Low	52.1	Low	88 Å²	88	139.8 Å²	139.8	53%	0.533	71%	0.708	S	S	.	*			trans	-72.1	102.3	-174.2	-177.8	0	0	0	0	108.8	G42 H46 F49	G42-V44 PolarHBondContact O-N 2.85Å; G42-V44 VanDerWaalsContact O-N 3.14Å; V44-H46 PolarHBondContact O-CD2 3.38Å; V44-H46 PolarHBondContact O-N 3.47Å; V44-F49 HydrophobicContact CG1-CD2 3.89Å; V44-F49 HydrophobicContact CG1-CE2 3.5Å; V44-F49 VanDerWaalsContact CG1-CE2 3.5Å; V44-F49 HydrophobicContact CG1-CZ 3.97Å
45	K	47.9	Very low	54.7	Low	148 Å²	148	134.2 Å²	134.2	64%	0.643	68%	0.683	S	S	*	*			trans	-64.3	103.8	171	-69.6	-177	-179.1	179.7	0	109.1	E43 E47 D48 F49	E43-K45 PolarHBondContact O-N 3.35Å; K45-E47 PolarHBondContact O-N 3.34Å; K45-D48 WeakPolarHBondContact CB-OD2 3.41Å; K45-D48 PolarHBondContact O-N 3.27Å; K45-D48 VanDerWaalsContact O-N 3.1Å; K45-F49 WeakPolarHBondContact O-CD2 2.97Å
46	H	54.1	Low	57.4	Low	168 Å²	168	134.6 Å²	134.6	78%	0.778	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-59	-17.6	-178.3	-73.7	-81.9	0	0	0	114.2	V44	V44-H46 PolarHBondContact O-CD2 3.38Å; V44-H46 PolarHBondContact O-N 3.47Å
47	E	59.2	Low	60	Low	192 Å²	192	130.8 Å²	130.8	90%	0.897	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-72.1	-24.4	177.2	-59.3	-176.3	166.7	0	0	113.7	K45 F49	K45-E47 PolarHBondContact O-N 3.34Å; E47-F49 VanDerWaalsContact C-N 3.31Å; E47-F49 PolarHBondContact O-N 3.49Å
48	D	67.1	Low	62.6	Low	125 Å²	125	125.8 Å²	125.8	67%	0.668	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-83.9	-3.9	-179.2	-68.1	-52.5	0	0	0	113.2	K45	K45-D48 WeakPolarHBondContact CB-OD2 3.41Å; K45-D48 PolarHBondContact O-N 3.27Å; K45-D48 VanDerWaalsContact O-N 3.1Å
49	F	67.9	Low	65.3	Low	135 Å²	135	124.1 Å²	124.1	59%	0.592	61%	0.611	S	S	*	*	S	Bend	trans	-117.3	132	-171.9	-67.4	-96.7	0	0	0	112.4	V44 K45 E47 Q51	V44-F49 HydrophobicContact CG1-CD2 3.89Å; V44-F49 HydrophobicContact CG1-CE2 3.5Å; V44-F49 VanDerWaalsContact CG1-CE2 3.5Å; V44-F49 HydrophobicContact CG1-CZ 3.97Å; K45-F49 WeakPolarHBondContact O-CD2 2.97Å; E47-F49 VanDerWaalsContact C-N 3.31Å; E47-F49 PolarHBondContact O-N 3.49Å; F49-Q51 PolarHBondContact O-N 3.15Å
50	V	77.3	Confident	68	Low	144 Å²	144	123.6 Å²	123.6	87%	0.873	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-64.2	123	168.1	-178.5	0	0	0	0	108.6
51	Q	71.1	Confident	70.4	Confident	170 Å²	170	114.2 Å²	114.2	79%	0.794	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-57.6	139.1	-179.3	-169	175.3	11.2	0	0	111	F49 H53	F49-Q51 PolarHBondContact O-N 3.15Å; Q51-H53 PolarHBondContact O-N 3.04Å; Q51-H53 VanDerWaalsContact O-N 3.12Å
52	P	69.4	Low	72.8	Confident	123 Å²	123	104.5 Å²	104.5	80%	0.799	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-52.3	118.7	-179.2	-29.9	36.4	0	0	0	112.8	Y54	P52-Y54 PolarHBondContact O-N 3.44Å
53	H	72.6	Confident	75.2	Confident	139 Å²	139	102.9 Å²	102.9	64%	0.644	50%	0.5	S	S	*	.			trans	-80	63.4	-170.9	-168.1	73.6	0	0	0	112.6	Q51 K55	Q51-H53 PolarHBondContact O-N 3.04Å; Q51-H53 VanDerWaalsContact O-N 3.12Å; H53-K55 VanDerWaalsContact NE2-CE 3.25Å; H53-K55 WeakPolarHBondContact NE2-CE 3.48Å; H53-K55 PolarHBondContact NE2-NZ 3.49Å
54	Y	83.1	Confident	77.4	Confident	160 Å²	160	97.2 Å²	97.2	63%	0.627	47%	0.47	S	S	*	.			trans	-72.2	135.8	174.5	-172.4	-98.6	0	0	0	111.5	P52 E56 R59	P52-Y54 PolarHBondContact O-N 3.44Å; Y54-E56 HydrophobicContact CE1-CB 3.98Å; Y54-E56 PolarHBondContact OH-OE2 3.07Å; Y54-R59 WeakPolarHBondContact OH-CD 3.39Å
55	K	87.3	Confident	79.4	Confident	75 Å²	75	93.1 Å²	93.1	33%	0.326	45%	0.445	S	S	.	.			trans	-138.5	108.3	172.8	-81.8	176.2	169	161.6	0	110	H53 S57 Y58 R59	H53-K55 VanDerWaalsContact NE2-CE 3.25Å; H53-K55 WeakPolarHBondContact NE2-CE 3.48Å; H53-K55 PolarHBondContact NE2-NZ 3.49Å; K55-S57 PolarHBondContact O-N 3.43Å; K55-Y58 HydrophobicContact CB-CD1 4.15Å; K55-Y58 HydrophobicContact CB-CD2 4.08Å; K55-Y58 HydrophobicContact CB-CG 3.87Å; K55-Y58 HydrophobicContact CD-CD1 4Å; K55-Y58 HydrophobicContact CD-CD2 4.02Å; K55-Y58 HydrophobicContact CD-CE1 3.58Å; K55-Y58 HydrophobicContact CD-CE2 3.64Å; K55-Y58 HydrophobicContact CD-CG 4.2Å; K55-Y58 VanDerWaalsContact CD-CZ 3.4Å; K55-Y58 PolarHBondContact NZ-OH 3.21Å; K55-Y58 PolarHBondContact O-N 3.35Å; K55-R59 PolarHBondContact O-N 3.22Å
56	E	89.6	Confident	81.4	Confident	78 Å²	78	87.6 Å²	87.6	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-57.4	-35.6	176.8	179.3	55	-157.5	0	0	111.9	Y54 Y58 R59 L60	Y54-E56 HydrophobicContact CE1-CB 3.98Å; Y54-E56 PolarHBondContact OH-OE2 3.07Å; E56-Y58 VanDerWaalsContact C-N 3.32Å; E56-Y58 PolarHBondContact O-N 3.29Å; E56-R59 CarbonylContact O-C 3.55Å; E56-R59 WeakPolarHBondContact O-CA 3.5Å; E56-R59 VanDerWaalsContact O-CB 3.32Å; E56-R59 WeakPolarHBondContact O-CB 3.39Å; E56-R59 PolarHBondContact O-N 3.44Å; E56-R59 VanDerWaalsContact O-N 3.1Å; E56-R59 IonicContact OE1-CZ 3.29Å; E56-R59 VanDerWaalsContact OE1-CZ 3.29Å; E56-R59 IonicContact OE1-NE 2.98Å; E56-R59 PolarHBondContact OE1-NE 2.79Å; E56-R59 VanDerWaalsContact OE1-NE 3.09Å; E56-R59 IonicContact OE1-NH2 3.97Å; E56-R59 PolarHBondContact OE1-NH2 3.26Å; E56-R59 IonicContact OE2-CZ 3.75Å; E56-R59 IonicContact OE2-NE 2.72Å; E56-R59 PolarHBondContact OE2-NE 2.78Å; E56-L60 HydrophobicContact CG-CD1 3.94Å; E56-L60 HydrophobicContact CG-CG 4.29Å; E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 2.96Å
57	S	89.7	Confident	83	Confident	30 Å²	30	85.3 Å²	85.3	21%	0.21	41%	0.41	C	S	.	.	H	α-helix	trans	-67.2	-27.7	177.8	57.2	0	0	0	0	113.8	K55 A61 F76 I82	K55-S57 PolarHBondContact O-N 3.43Å; S57-A61 WeakPolarHBondContact O-CB 3.48Å; S57-A61 PolarHBondContact O-N 3.4Å; S57-F76 WeakPolarHBondContact O-CE1 3.36Å; S57-F76 VanDerWaalsContact O-CZ 3.26Å; S57-F76 WeakPolarHBondContact O-CZ 3.18Å; S57-I82 VanDerWaalsContact CB-CD1 3.43Å; S57-I82 VanDerWaalsContact OG-CD1 3.3Å; S57-I82 WeakPolarHBondContact OG-CD1 3.41Å
58	Y	91.3	Very high	84.3	Confident	67 Å²	67	81.3 Å²	81.3	26%	0.263	40%	0.395	S	S	.	.	H	α-helix	trans	-70	-40.3	169.9	-69.5	4.4	0	0	0	110.6	K55 E56 L60 A61 I62 I82 F85	K55-Y58 HydrophobicContact CB-CD1 4.15Å; K55-Y58 HydrophobicContact CB-CD2 4.08Å; K55-Y58 HydrophobicContact CB-CG 3.87Å; K55-Y58 HydrophobicContact CD-CD1 4Å; K55-Y58 HydrophobicContact CD-CD2 4.02Å; K55-Y58 HydrophobicContact CD-CE1 3.58Å; K55-Y58 HydrophobicContact CD-CE2 3.64Å; K55-Y58 HydrophobicContact CD-CG 4.2Å; K55-Y58 VanDerWaalsContact CD-CZ 3.4Å; K55-Y58 PolarHBondContact NZ-OH 3.21Å; K55-Y58 PolarHBondContact O-N 3.35Å; E56-Y58 VanDerWaalsContact C-N 3.32Å; E56-Y58 PolarHBondContact O-N 3.29Å; Y58-L60 VanDerWaalsContact C-N 3.34Å; Y58-L60 PolarHBondContact O-N 3.4Å; Y58-A61 PolarHBondContact O-N 3.06Å; Y58-I62 WeakPolarHBondContact O-CG1 3.34Å; Y58-I62 PolarHBondContact O-N 2.71Å; Y58-I62 VanDerWaalsContact O-N 3.11Å; Y58-I82 HydrophobicContact CD1-CG2 4.21Å; Y58-I82 HydrophobicContact CE1-CG2 3.68Å; Y58-F85 AromaticContact CD1-CD1 3.77Å; Y58-F85 HydrophobicContact CD1-CD1 3.77Å; Y58-F85 AromaticContact CD1-CE1 3.75Å; Y58-F85 HydrophobicContact CD1-CE1 3.75Å; Y58-F85 HydrophobicContact CD1-CG 4.35Å; Y58-F85 HydrophobicContact CD1-CZ 4.31Å; Y58-F85 HydrophobicContact CD2-CD1 4.4Å; Y58-F85 HydrophobicContact CD2-CD2 4.14Å; Y58-F85 HydrophobicContact CD2-CE2 4.3Å; Y58-F85 HydrophobicContact CD2-CG 4.19Å; Y58-F85 AromaticContact CE1-CD1 3.93Å; Y58-F85 HydrophobicContact CE1-CD1 3.93Å; Y58-F85 HydrophobicContact CE1-CE1 4.37Å; Y58-F85 HydrophobicContact CE1-CG 4.37Å; Y58-F85 HydrophobicContact CE2-CB 4.31Å; Y58-F85 HydrophobicContact CE2-CD2 4.46Å; Y58-F85 HydrophobicContact CE2-CG 4.18Å; Y58-F85 HydrophobicContact CG-CD1 4.03Å; Y58-F85 HydrophobicContact CG-CD2 4.34Å; Y58-F85 AromaticContact CG-CE1 3.87Å; Y58-F85 HydrophobicContact CG-CE1 3.87Å; Y58-F85 HydrophobicContact CG-CE2 4.18Å; Y58-F85 HydrophobicContact CG-CG 4.27Å; Y58-F85 AromaticContact CG-CZ 3.95Å; Y58-F85 HydrophobicContact CG-CZ 3.95Å
59	R	91.6	Very high	85.3	Confident	46 Å²	46	76.6 Å²	76.6	17%	0.174	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-40.9	176.2	-156.1	-158.2	60.1	61.3	16.1	111.5	Y54 K55 E56 I62 D63 Y245	Y54-R59 WeakPolarHBondContact OH-CD 3.39Å; K55-R59 PolarHBondContact O-N 3.22Å; E56-R59 CarbonylContact O-C 3.55Å; E56-R59 WeakPolarHBondContact O-CA 3.5Å; E56-R59 VanDerWaalsContact O-CB 3.32Å; E56-R59 WeakPolarHBondContact O-CB 3.39Å; E56-R59 PolarHBondContact O-N 3.44Å; E56-R59 VanDerWaalsContact O-N 3.1Å; E56-R59 IonicContact OE1-CZ 3.29Å; E56-R59 VanDerWaalsContact OE1-CZ 3.29Å; E56-R59 IonicContact OE1-NE 2.98Å; E56-R59 PolarHBondContact OE1-NE 2.79Å; E56-R59 VanDerWaalsContact OE1-NE 3.09Å; E56-R59 IonicContact OE1-NH2 3.97Å; E56-R59 PolarHBondContact OE1-NH2 3.26Å; E56-R59 IonicContact OE2-CZ 3.75Å; E56-R59 IonicContact OE2-NE 2.72Å; E56-R59 PolarHBondContact OE2-NE 2.78Å; R59-I62 PolarHBondContact O-N 3.26Å; R59-D63 IonicContact CZ-OD2 2.78Å; R59-D63 VanDerWaalsContact CZ-OD2 3.25Å; R59-D63 VanDerWaalsContact NH1-CG 3.34Å; R59-D63 IonicContact NH1-OD1 2.67Å; R59-D63 PolarHBondContact NH1-OD1 3.01Å; R59-D63 IonicContact NH1-OD2 3.5Å; R59-D63 PolarHBondContact NH1-OD2 3.16Å; R59-D63 IonicContact NH2-OD2 2.83Å; R59-D63 PolarHBondContact NH2-OD2 3.48Å; R59-D63 PolarHBondContact O-N 3.38Å; R59-Y245 VanDerWaalsContact CG-OH 3.3Å; R59-Y245 WeakPolarHBondContact CG-OH 3.34Å
60	L	91.3	Very high	86.4	Confident	51 Å²	51	77.6 Å²	77.6	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-71	-34.8	175.5	-70.5	169.2	0	0	0	113.3	E56 Y58 I62 D63 R64 F76	E56-L60 HydrophobicContact CG-CD1 3.94Å; E56-L60 HydrophobicContact CG-CG 4.29Å; E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 2.96Å; Y58-L60 VanDerWaalsContact C-N 3.34Å; Y58-L60 PolarHBondContact O-N 3.4Å; L60-I62 VanDerWaalsContact C-N 3.31Å; L60-I62 PolarHBondContact O-N 3Å; L60-D63 WeakPolarHBondContact O-CB 3.29Å; L60-D63 PolarHBondContact O-N 3.14Å; L60-R64 PolarHBondContact O-N 2.84Å; L60-F76 HydrophobicContact CB-CE2 3.64Å; L60-F76 HydrophobicContact CB-CZ 3.58Å
61	A	91.8	Very high	87.1	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-41.7	172.2	0	0	0	0	0	111.2	S57 Y58 R64 L65 Y73 F76 F85	S57-A61 WeakPolarHBondContact O-CB 3.48Å; S57-A61 PolarHBondContact O-N 3.4Å; Y58-A61 PolarHBondContact O-N 3.06Å; A61-R64 PolarHBondContact O-N 2.57Å; A61-L65 WeakPolarHBondContact O-CB 3.41Å; A61-L65 PolarHBondContact O-N 2.88Å; A61-Y73 HydrophobicContact CB-CD2 3.97Å; A61-Y73 HydrophobicContact CB-CE2 3.98Å; A61-F76 HydrophobicContact CB-CD1 3.56Å; A61-F76 HydrophobicContact CB-CE1 3.65Å; A61-F76 HydrophobicContact CB-CG 4.31Å; A61-F76 HydrophobicContact CB-CZ 4.46Å; A61-F85 HydrophobicContact CB-CE1 3.93Å; A61-F85 HydrophobicContact CB-CZ 4.11Å
62	I	91.7	Very high	88	Confident	17 Å²	17	69.5 Å²	69.5	9%	0.087	33%	0.33	C	S	.	.	H	α-helix	trans	-66.4	-41	174.2	-65.8	163.2	0	0	0	110.9	Y58 R59 L60 R64 L65 I66 F85 L86 Y245 F253	Y58-I62 WeakPolarHBondContact O-CG1 3.34Å; Y58-I62 PolarHBondContact O-N 2.71Å; Y58-I62 VanDerWaalsContact O-N 3.11Å; R59-I62 PolarHBondContact O-N 3.26Å; L60-I62 VanDerWaalsContact C-N 3.31Å; L60-I62 PolarHBondContact O-N 3Å; I62-R64 PolarHBondContact O-N 2.81Å; I62-L65 PolarHBondContact O-N 3.01Å; I62-I66 HydrophobicContact CG2-CD1 3.68Å; I62-I66 WeakPolarHBondContact O-CG1 3.3Å; I62-I66 PolarHBondContact O-N 3.1Å; I62-I66 VanDerWaalsContact O-N 3.1Å; I62-F85 HydrophobicContact CD1-CE2 4.26Å; I62-F85 HydrophobicContact CD1-CZ 4.39Å; I62-F85 HydrophobicContact CG1-CE2 4.48Å; I62-F85 HydrophobicContact CG1-CZ 4.24Å; I62-L86 HydrophobicContact CG1-CD1 4.45Å; I62-Y245 HydrophobicContact CD1-CE2 4.42Å; I62-Y245 HydrophobicContact CG2-CE1 3.74Å; I62-F253 HydrophobicContact CG2-CE1 4.33Å
63	D	90.5	Very high	89.1	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-43.2	173.6	-77.7	-26.9	0	0	0	112.3	R59 L60 K67 R248	R59-D63 IonicContact CZ-OD2 2.78Å; R59-D63 VanDerWaalsContact CZ-OD2 3.25Å; R59-D63 VanDerWaalsContact NH1-CG 3.34Å; R59-D63 IonicContact NH1-OD1 2.67Å; R59-D63 PolarHBondContact NH1-OD1 3.01Å; R59-D63 IonicContact NH1-OD2 3.5Å; R59-D63 PolarHBondContact NH1-OD2 3.16Å; R59-D63 IonicContact NH2-OD2 2.83Å; R59-D63 PolarHBondContact NH2-OD2 3.48Å; R59-D63 PolarHBondContact O-N 3.38Å; L60-D63 WeakPolarHBondContact O-CB 3.29Å; L60-D63 PolarHBondContact O-N 3.14Å; D63-K67 VanDerWaalsContact O-CG 3.3Å; D63-K67 WeakPolarHBondContact O-CG 3.3Å; D63-K67 PolarHBondContact O-N 2.95Å; D63-R248 PolarHBondContact OD1-N 2.88Å; D63-R248 VanDerWaalsContact OD2-CB 3.22Å; D63-R248 WeakPolarHBondContact OD2-CB 3.3Å
64	R	90.9	Very high	90	Very high	79 Å²	79	60.1 Å²	60.1	30%	0.298	28%	0.275	S	S	.	.	H	α-helix	trans	-69.5	-43.9	176	-70.6	-148.7	-164.6	149.6	7.7	111.5	L60 A61 I62 I66 K67 D68 S72 F76 E79	L60-R64 PolarHBondContact O-N 2.84Å; A61-R64 PolarHBondContact O-N 2.57Å; I62-R64 PolarHBondContact O-N 2.81Å; R64-I66 PolarHBondContact O-N 3.2Å; R64-K67 PolarHBondContact O-N 3.11Å; R64-D68 PolarHBondContact O-N 3.5Å; R64-S72 PolarHBondContact O-OG 3.27Å; R64-S72 VanDerWaalsContact O-OG 3.1Å; R64-F76 HydrophobicContact CG-CD2 4.13Å; R64-E79 IonicContact CZ-OE2 2.73Å; R64-E79 VanDerWaalsContact CZ-OE2 3.23Å; R64-E79 IonicContact NH1-OE2 3.26Å; R64-E79 PolarHBondContact NH1-OE2 3.06Å; R64-E79 IonicContact NH2-OE2 2.59Å; R64-E79 PolarHBondContact NH2-OE2 2.95Å
65	L	91.2	Very high	90.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-52.1	-41.7	177.3	177.3	58.9	0	0	0	112.7	A61 I62 G69 R70 Y73 L86 I91 L94 T95	A61-L65 WeakPolarHBondContact O-CB 3.41Å; A61-L65 PolarHBondContact O-N 2.88Å; I62-L65 PolarHBondContact O-N 3.01Å; L65-G69 CarbonylContact O-C 3.49Å; L65-G69 WeakPolarHBondContact O-CA 3.34Å; L65-G69 PolarHBondContact O-N 3.01Å; L65-G69 VanDerWaalsContact O-N 3.16Å; L65-R70 HydrophobicContact CD1-CB 4.44Å; L65-Y73 HydrophobicContact CB-CD2 4.15Å; L65-Y73 HydrophobicContact CB-CG 4.31Å; L65-Y73 HydrophobicContact CD1-CG 4.26Å; L65-Y73 HydrophobicContact CD2-CD2 4.48Å; L65-L86 HydrophobicContact CD2-CD1 3.75Å; L65-I91 HydrophobicContact CD1-CG2 4.13Å; L65-I91 HydrophobicContact CD2-CG1 4.32Å; L65-L94 HydrophobicContact CD2-CB 4.46Å; L65-L94 HydrophobicContact CD2-CD1 3.94Å; L65-T95 HydrophobicContact CD1-CG2 4.13Å; L65-T95 HydrophobicContact CG-CG2 4.4Å
66	I	90.4	Very high	90.8	Very high	32 Å²	32	55.3 Å²	55.3	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-83.6	-24.8	-174.9	-68.9	171.1	0	0	0	112.6	I62 R64 V98 C247 A251 F253	I62-I66 HydrophobicContact CG2-CD1 3.68Å; I62-I66 WeakPolarHBondContact O-CG1 3.3Å; I62-I66 PolarHBondContact O-N 3.1Å; I62-I66 VanDerWaalsContact O-N 3.1Å; R64-I66 PolarHBondContact O-N 3.2Å; I66-V98 HydrophobicContact CD1-CG2 3.85Å; I66-V98 HydrophobicContact CG1-CG2 4.02Å; I66-V98 HydrophobicContact CG2-CG1 4.02Å; I66-V98 HydrophobicContact CG2-CG2 3.86Å; I66-C247 WeakPolarHBondContact CD1-SG 3.35Å; I66-A251 HydrophobicContact CG2-CB 3.69Å; I66-F253 HydrophobicContact CD1-CD1 4.02Å; I66-F253 HydrophobicContact CD1-CE1 3.69Å
67	K	87.4	Confident	90.9	Very high	120 Å²	120	52.1 Å²	52.1	52%	0.522	25%	0.245	S	C	.	.	H	α-helix	trans	-84.5	-54.4	175.4	-73.2	175.3	176.6	-173.1	0	112.8	D63 R64	D63-K67 VanDerWaalsContact O-CG 3.3Å; D63-K67 WeakPolarHBondContact O-CG 3.3Å; D63-K67 PolarHBondContact O-N 2.95Å; R64-K67 PolarHBondContact O-N 3.11Å
68	D	86.8	Confident	91.1	Very high	108 Å²	108	58 Å²	58	58%	0.578	27%	0.267	S	S	*	.	H	α-helix	trans	-116.9	6.3	-162.4	-45.3	-60.9	0	0	0	111.3	R64 S72	R64-D68 PolarHBondContact O-N 3.5Å; D68-S72 WeakPolarHBondContact CB-OG 3.4Å
69	G	88.3	Confident	91.1	Very high	27 Å²	27	60.4 Å²	60.4	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	80.1	-177.8	171.3	0	0	0	0	0	115.3	L65 E71 S72 Y73	L65-G69 CarbonylContact O-C 3.49Å; L65-G69 WeakPolarHBondContact O-CA 3.34Å; L65-G69 PolarHBondContact O-N 3.01Å; L65-G69 VanDerWaalsContact O-N 3.16Å; G69-E71 PolarHBondContact O-N 3.48Å; G69-E71 VanDerWaalsContact O-N 3.08Å; G69-S72 PolarHBondContact O-N 2.73Å; G69-S72 PolarHBondContact O-OG 2.98Å; G69-Y73 PolarHBondContact O-N 2.93Å
70	R	91.8	Very high	91.1	Very high	156 Å²	156	63.1 Å²	63.1	59%	0.589	30%	0.295	S	S	*	.	H	α-helix	trans	-52.7	-32.5	-174.6	77.5	-168.3	177.3	-167.4	-5.1	114.6	L65 F74 I91	L65-R70 HydrophobicContact CD1-CB 4.44Å; R70-F74 WeakPolarHBondContact O-CD2 3.42Å; R70-F74 PolarHBondContact O-N 3.36Å; R70-I91 HydrophobicContact CB-CG2 4.41Å
71	E	91.6	Very high	91	Very high	128 Å²	128	71.8 Å²	71.8	60%	0.598	32%	0.324	S	S	*	.	H	α-helix	trans	-77.3	-38.9	-172.6	-81.5	157.6	-130.6	0	0	111.2	G69 Y73 F74 E75	G69-E71 PolarHBondContact O-N 3.48Å; G69-E71 VanDerWaalsContact O-N 3.08Å; E71-Y73 VanDerWaalsContact C-N 3.32Å; E71-Y73 PolarHBondContact O-N 2.87Å; E71-F74 PolarHBondContact O-N 3.14Å; E71-E75 PolarHBondContact O-N 3.04Å
72	S	90.4	Very high	91	Very high	15 Å²	15	73.3 Å²	73.3	11%	0.105	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-33.8	171.3	76.6	0	0	0	0	113.2	R64 D68 G69 E75 F76	R64-S72 PolarHBondContact O-OG 3.27Å; R64-S72 VanDerWaalsContact O-OG 3.1Å; D68-S72 WeakPolarHBondContact CB-OG 3.4Å; G69-S72 PolarHBondContact O-N 2.73Å; G69-S72 PolarHBondContact O-OG 2.98Å; S72-E75 PolarHBondContact O-N 3.19Å; S72-F76 WeakPolarHBondContact O-CB 3.49Å; S72-F76 PolarHBondContact O-N 2.92Å
73	Y	91.8	Very high	90.8	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-48.9	175.1	166.6	-98.7	0	0	0	110.8	A61 L65 G69 E71 E75 F76 L77 S84 F85 L86 I91	A61-Y73 HydrophobicContact CB-CD2 3.97Å; A61-Y73 HydrophobicContact CB-CE2 3.98Å; L65-Y73 HydrophobicContact CB-CD2 4.15Å; L65-Y73 HydrophobicContact CB-CG 4.31Å; L65-Y73 HydrophobicContact CD1-CG 4.26Å; L65-Y73 HydrophobicContact CD2-CD2 4.48Å; G69-Y73 PolarHBondContact O-N 2.93Å; E71-Y73 VanDerWaalsContact C-N 3.32Å; E71-Y73 PolarHBondContact O-N 2.87Å; Y73-E75 PolarHBondContact O-N 2.89Å; Y73-F76 PolarHBondContact O-N 2.87Å; Y73-L77 HydrophobicContact CD1-CD1 4.09Å; Y73-L77 HydrophobicContact CE1-CD1 3.53Å; Y73-L77 HydrophobicContact CE2-CD1 4.08Å; Y73-L77 HydrophobicContact CE2-CG 4.35Å; Y73-L77 WeakPolarHBondContact O-CG 3.43Å; Y73-L77 PolarHBondContact O-N 2.75Å; Y73-S84 PolarHBondContact OH-OG 2.91Å; Y73-F85 HydrophobicContact CE2-CE1 4.13Å; Y73-F85 HydrophobicContact CE2-CZ 4.34Å; Y73-L86 HydrophobicContact CE2-CD1 3.85Å; Y73-L86 HydrophobicContact CE2-CG 4.4Å; Y73-L86 PolarHBondContact OH-N 2.87Å; Y73-I91 HydrophobicContact CD1-CD1 4.18Å; Y73-I91 HydrophobicContact CE1-CD1 3.69Å; Y73-I91 HydrophobicContact CE1-CG1 4.45Å
74	F	92.1	Very high	90.7	Very high	66 Å²	66	78.9 Å²	78.9	29%	0.289	38%	0.378	S	S	.	.	H	α-helix	trans	-71.3	-10	174.6	-67.7	-58.3	0	0	0	113.9	R70 E71 L77 K78 I91	R70-F74 WeakPolarHBondContact O-CD2 3.42Å; R70-F74 PolarHBondContact O-N 3.36Å; E71-F74 PolarHBondContact O-N 3.14Å; F74-L77 HydrophobicContact CD1-CD1 4.12Å; F74-K78 WeakPolarHBondContact O-CD 3.47Å; F74-K78 WeakPolarHBondContact O-CE 3.29Å; F74-K78 VanDerWaalsContact O-CG 3.28Å; F74-K78 WeakPolarHBondContact O-CG 3.41Å; F74-K78 PolarHBondContact O-NZ 3.46Å; F74-I91 HydrophobicContact CZ-CD1 3.99Å
75	E	93.7	Very high	90.7	Very high	128 Å²	128	78.2 Å²	78.2	60%	0.598	38%	0.377	S	S	*	.	H	α-helix	trans	-85.7	-48.9	168.7	-173.2	161.1	-133.8	0	0	111.1	E71 S72 Y73 L77 K78 E79	E71-E75 PolarHBondContact O-N 3.04Å; S72-E75 PolarHBondContact O-N 3.19Å; Y73-E75 PolarHBondContact O-N 2.89Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.05Å; E75-K78 WeakPolarHBondContact O-CB 3.4Å; E75-K78 PolarHBondContact O-N 3.29Å; E75-E79 PolarHBondContact O-N 2.77Å
76	F	92.5	Very high	90.7	Very high	5 Å²	5	79.1 Å²	79.1	2%	0.022	38%	0.382	C	S	.	.	H	α-helix	trans	-49.5	-48.4	171.8	-178.7	-81.7	0	0	0	111.8	S57 L60 A61 R64 S72 Y73 K78 E79 E80 I82	S57-F76 WeakPolarHBondContact O-CE1 3.36Å; S57-F76 VanDerWaalsContact O-CZ 3.26Å; S57-F76 WeakPolarHBondContact O-CZ 3.18Å; L60-F76 HydrophobicContact CB-CE2 3.64Å; L60-F76 HydrophobicContact CB-CZ 3.58Å; A61-F76 HydrophobicContact CB-CD1 3.56Å; A61-F76 HydrophobicContact CB-CE1 3.65Å; A61-F76 HydrophobicContact CB-CG 4.31Å; A61-F76 HydrophobicContact CB-CZ 4.46Å; R64-F76 HydrophobicContact CG-CD2 4.13Å; S72-F76 WeakPolarHBondContact O-CB 3.49Å; S72-F76 PolarHBondContact O-N 2.92Å; Y73-F76 PolarHBondContact O-N 2.87Å; F76-K78 PolarHBondContact O-N 3.18Å; F76-E79 PolarHBondContact O-N 2.94Å; F76-E80 HydrophobicContact CD1-CG 4.19Å; F76-E80 HydrophobicContact CE1-CB 4.25Å; F76-E80 HydrophobicContact CE1-CG 3.74Å; F76-E80 HydrophobicContact CE2-CG 4.09Å; F76-E80 HydrophobicContact CZ-CG 3.68Å; F76-E80 WeakPolarHBondContact O-CB 3.37Å; F76-E80 PolarHBondContact O-N 3.47Å; F76-I82 HydrophobicContact CE1-CD1 4.07Å
77	L	93.1	Very high	90.8	Very high	12 Å²	12	80 Å²	80	6%	0.063	39%	0.391	C	S	.	.	H	α-helix	trans	-61.3	-30.4	178.9	-71.5	178.7	0	0	0	113.2	Y73 F74 E75 R81 I82 F85	Y73-L77 HydrophobicContact CD1-CD1 4.09Å; Y73-L77 HydrophobicContact CE1-CD1 3.53Å; Y73-L77 HydrophobicContact CE2-CD1 4.08Å; Y73-L77 HydrophobicContact CE2-CG 4.35Å; Y73-L77 WeakPolarHBondContact O-CG 3.43Å; Y73-L77 PolarHBondContact O-N 2.75Å; F74-L77 HydrophobicContact CD1-CD1 4.12Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.05Å; L77-R81 CarbonylContact O-C 3.58Å; L77-R81 WeakPolarHBondContact O-CA 3.4Å; L77-R81 PolarHBondContact O-N 3.47Å; L77-R81 VanDerWaalsContact O-N 3.17Å; L77-I82 HydrophobicContact CD2-CB 3.72Å; L77-I82 HydrophobicContact CD2-CG2 3.57Å; L77-I82 PolarHBondContact O-N 3.27Å; L77-F85 HydrophobicContact CD2-CD1 4.39Å; L77-F85 HydrophobicContact CD2-CE1 4.32Å
78	K	92.4	Very high	90.9	Very high	154 Å²	154	79.9 Å²	79.9	67%	0.67	39%	0.393	S	S	*	.	H	α-helix	trans	-80.1	-40.6	176.7	-66.3	167.1	-167	131.6	0	111.7	F74 E75 F76 R81	F74-K78 WeakPolarHBondContact O-CD 3.47Å; F74-K78 WeakPolarHBondContact O-CE 3.29Å; F74-K78 VanDerWaalsContact O-CG 3.28Å; F74-K78 WeakPolarHBondContact O-CG 3.41Å; F74-K78 PolarHBondContact O-NZ 3.46Å; E75-K78 WeakPolarHBondContact O-CB 3.4Å; E75-K78 PolarHBondContact O-N 3.29Å; F76-K78 PolarHBondContact O-N 3.18Å; K78-R81 PolarHBondContact O-N 2.66Å
79	E	92.8	Very high	91	Very high	117 Å²	117	81.2 Å²	81.2	55%	0.547	40%	0.4	S	S	.	.	H	α-helix	trans	-58.2	-56.4	176.4	-178.2	175.6	-145.1	0	0	110.6	R64 E75 F76 R81	R64-E79 IonicContact CZ-OE2 2.73Å; R64-E79 VanDerWaalsContact CZ-OE2 3.23Å; R64-E79 IonicContact NH1-OE2 3.26Å; R64-E79 PolarHBondContact NH1-OE2 3.06Å; R64-E79 IonicContact NH2-OE2 2.59Å; R64-E79 PolarHBondContact NH2-OE2 2.95Å; E75-E79 PolarHBondContact O-N 2.77Å; F76-E79 PolarHBondContact O-N 2.94Å; E79-R81 VanDerWaalsContact C-N 3.25Å; E79-R81 PolarHBondContact O-N 3.26Å
80	E	91.4	Very high	91.2	Very high	102 Å²	102	84.4 Å²	84.4	48%	0.477	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.8	179.2	-65.9	-76.6	151.7	0	0	113.7	F76 I82	F76-E80 HydrophobicContact CD1-CG 4.19Å; F76-E80 HydrophobicContact CE1-CB 4.25Å; F76-E80 HydrophobicContact CE1-CG 3.74Å; F76-E80 HydrophobicContact CE2-CG 4.09Å; F76-E80 HydrophobicContact CZ-CG 3.68Å; F76-E80 WeakPolarHBondContact O-CB 3.37Å; F76-E80 PolarHBondContact O-N 3.47Å; E80-I82 VanDerWaalsContact C-N 3.31Å; E80-I82 HydrophobicContact CB-CD1 3.53Å; E80-I82 HydrophobicContact CB-CG1 3.81Å; E80-I82 HydrophobicContact CG-CD1 4.33Å; E80-I82 PolarHBondContact O-N 2.85Å
81	R	89.3	Confident	91.1	Very high	233 Å²	233	77.6 Å²	77.6	88%	0.879	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	36.6	-177.6	-52.5	179	-179.1	172.6	1.6	114.4	L77 K78 E79	L77-R81 CarbonylContact O-C 3.58Å; L77-R81 WeakPolarHBondContact O-CA 3.4Å; L77-R81 PolarHBondContact O-N 3.47Å; L77-R81 VanDerWaalsContact O-N 3.17Å; K78-R81 PolarHBondContact O-N 2.66Å; E79-R81 VanDerWaalsContact C-N 3.25Å; E79-R81 PolarHBondContact O-N 3.26Å
82	I	90.1	Very high	91.1	Very high	32 Å²	32	75.6 Å²	75.6	16%	0.164	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-95	136.1	-178.2	-63.1	169.6	0	0	0	110.2	S57 Y58 F76 L77 E80	S57-I82 VanDerWaalsContact CB-CD1 3.43Å; S57-I82 VanDerWaalsContact OG-CD1 3.3Å; S57-I82 WeakPolarHBondContact OG-CD1 3.41Å; Y58-I82 HydrophobicContact CD1-CG2 4.21Å; Y58-I82 HydrophobicContact CE1-CG2 3.68Å; F76-I82 HydrophobicContact CE1-CD1 4.07Å; L77-I82 HydrophobicContact CD2-CB 3.72Å; L77-I82 HydrophobicContact CD2-CG2 3.57Å; L77-I82 PolarHBondContact O-N 3.27Å; E80-I82 VanDerWaalsContact C-N 3.31Å; E80-I82 HydrophobicContact CB-CD1 3.53Å; E80-I82 HydrophobicContact CB-CG1 3.81Å; E80-I82 HydrophobicContact CG-CD1 4.33Å; E80-I82 PolarHBondContact O-N 2.85Å
83	A	88.6	Confident	91	Very high	83 Å²	83	78 Å²	78	69%	0.686	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-70.9	139.5	170.4	0	0	0	0	0	110.7	F85	A83-F85 PolarHBondContact O-N 3.23Å
84	S	88.6	Confident	90.9	Very high	59 Å²	59	78.5 Å²	78.5	41%	0.413	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-56.5	128.2	176.5	-166.3	0	0	0	0	110.3	Y73 L86	Y73-S84 PolarHBondContact OH-OG 2.91Å; S84-L86 PolarHBondContact OG-O 2.85Å
85	F	91.2	Very high	90.7	Very high	64 Å²	64	78.8 Å²	78.8	28%	0.281	40%	0.398	S	S	.	.			trans	-110.7	-24.5	-177	63.7	-88.3	0	0	0	112.4	Y58 A61 I62 Y73 L77 A83	Y58-F85 AromaticContact CD1-CD1 3.77Å; Y58-F85 HydrophobicContact CD1-CD1 3.77Å; Y58-F85 AromaticContact CD1-CE1 3.75Å; Y58-F85 HydrophobicContact CD1-CE1 3.75Å; Y58-F85 HydrophobicContact CD1-CG 4.35Å; Y58-F85 HydrophobicContact CD1-CZ 4.31Å; Y58-F85 HydrophobicContact CD2-CD1 4.4Å; Y58-F85 HydrophobicContact CD2-CD2 4.14Å; Y58-F85 HydrophobicContact CD2-CE2 4.3Å; Y58-F85 HydrophobicContact CD2-CG 4.19Å; Y58-F85 AromaticContact CE1-CD1 3.93Å; Y58-F85 HydrophobicContact CE1-CD1 3.93Å; Y58-F85 HydrophobicContact CE1-CE1 4.37Å; Y58-F85 HydrophobicContact CE1-CG 4.37Å; Y58-F85 HydrophobicContact CE2-CB 4.31Å; Y58-F85 HydrophobicContact CE2-CD2 4.46Å; Y58-F85 HydrophobicContact CE2-CG 4.18Å; Y58-F85 HydrophobicContact CG-CD1 4.03Å; Y58-F85 HydrophobicContact CG-CD2 4.34Å; Y58-F85 AromaticContact CG-CE1 3.87Å; Y58-F85 HydrophobicContact CG-CE1 3.87Å; Y58-F85 HydrophobicContact CG-CE2 4.18Å; Y58-F85 HydrophobicContact CG-CG 4.27Å; Y58-F85 AromaticContact CG-CZ 3.95Å; Y58-F85 HydrophobicContact CG-CZ 3.95Å; A61-F85 HydrophobicContact CB-CE1 3.93Å; A61-F85 HydrophobicContact CB-CZ 4.11Å; I62-F85 HydrophobicContact CD1-CE2 4.26Å; I62-F85 HydrophobicContact CD1-CZ 4.39Å; I62-F85 HydrophobicContact CG1-CE2 4.48Å; I62-F85 HydrophobicContact CG1-CZ 4.24Å; Y73-F85 HydrophobicContact CE2-CE1 4.13Å; Y73-F85 HydrophobicContact CE2-CZ 4.34Å; L77-F85 HydrophobicContact CD2-CD1 4.39Å; L77-F85 HydrophobicContact CD2-CE1 4.32Å; A83-F85 PolarHBondContact O-N 3.23Å
86	L	91.3	Very high	90.3	Very high	20 Å²	20	76.7 Å²	76.7	11%	0.105	40%	0.397	C	S	.	.	S	Bend	trans	-81.7	146.1	166.7	-56.4	174.9	0	0	0	110.5	I62 L65 Y73 S84 E90 I91 L94	I62-L86 HydrophobicContact CG1-CD1 4.45Å; L65-L86 HydrophobicContact CD2-CD1 3.75Å; Y73-L86 HydrophobicContact CE2-CD1 3.85Å; Y73-L86 HydrophobicContact CE2-CG 4.4Å; Y73-L86 PolarHBondContact OH-N 2.87Å; S84-L86 PolarHBondContact OG-O 2.85Å; L86-E90 HydrophobicContact CB-CB 4.47Å; L86-E90 HydrophobicContact CD2-CB 4.48Å; L86-I91 HydrophobicContact CB-CD1 4.27Å; L86-I91 HydrophobicContact CB-CG1 3.89Å; L86-I91 HydrophobicContact CD1-CG1 4.11Å; L86-L94 HydrophobicContact CD1-CD1 3.72Å; L86-L94 HydrophobicContact CD2-CD1 4.27Å
87	S	91.5	Very high	89.9	Confident	51 Å²	51	79.4 Å²	79.4	36%	0.357	41%	0.412	S	S	.	.			trans	-84.6	163.3	164.7	66.4	0	0	0	0	112.1	D89 E90 I91	S87-D89 VanDerWaalsContact C-N 3.27Å; S87-D89 PolarHBondContact O-N 2.93Å; S87-E90 VanDerWaalsContact CB-OE2 3.27Å; S87-E90 WeakPolarHBondContact CB-OE2 3.37Å; S87-E90 PolarHBondContact N-OE2 2.78Å; S87-E90 PolarHBondContact O-N 2.68Å; S87-E90 VanDerWaalsContact O-N 3.17Å; S87-E90 WeakPolarHBondContact OG-CG 3.46Å; S87-E90 PolarHBondContact OG-N 3.28Å; S87-E90 PolarHBondContact OG-OE2 3.08Å; S87-I91 WeakPolarHBondContact O-CG1 3.4Å; S87-I91 PolarHBondContact O-N 3.43Å
88	E	90.1	Very high	89.5	Confident	118 Å²	118	80.9 Å²	80.9	55%	0.551	42%	0.421	S	S	*	.	H	α-helix	trans	-64.4	-33.1	-178.4	-45.5	-57.1	-93.2	0	0	112.2	I91 V92	E88-I91 PolarHBondContact O-N 3.42Å; E88-V92 WeakPolarHBondContact O-CG2 3.28Å; E88-V92 PolarHBondContact O-N 2.87Å
89	D	88.8	Confident	89	Confident	136 Å²	136	78.9 Å²	78.9	73%	0.727	41%	0.414	S	S	*	.	H	α-helix	trans	-67.9	-38.4	175.7	-66.8	-38.5	0	0	0	111.3	S87 V92 F93	S87-D89 VanDerWaalsContact C-N 3.27Å; S87-D89 PolarHBondContact O-N 2.93Å; D89-V92 PolarHBondContact O-N 2.85Å; D89-F93 WeakPolarHBondContact O-CB 3.3Å; D89-F93 PolarHBondContact O-N 2.76Å
90	E	91.3	Very high	88.2	Confident	94 Å²	94	80.5 Å²	80.5	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-68	-40.1	172.5	-70.6	163.9	117.6	0	0	111.7	L86 S87 V92 F93 L94	L86-E90 HydrophobicContact CB-CB 4.47Å; L86-E90 HydrophobicContact CD2-CB 4.48Å; S87-E90 VanDerWaalsContact CB-OE2 3.27Å; S87-E90 WeakPolarHBondContact CB-OE2 3.37Å; S87-E90 PolarHBondContact N-OE2 2.78Å; S87-E90 PolarHBondContact O-N 2.68Å; S87-E90 VanDerWaalsContact O-N 3.17Å; S87-E90 WeakPolarHBondContact OG-CG 3.46Å; S87-E90 PolarHBondContact OG-N 3.28Å; S87-E90 PolarHBondContact OG-OE2 3.08Å; E90-V92 VanDerWaalsContact C-N 3.31Å; E90-V92 PolarHBondContact O-N 2.79Å; E90-F93 PolarHBondContact O-N 3.21Å; E90-L94 WeakPolarHBondContact O-CB 3.32Å; E90-L94 WeakPolarHBondContact O-CG 3.43Å; E90-L94 PolarHBondContact O-N 3.09Å
91	I	90.8	Very high	86.9	Confident	12 Å²	12	81.6 Å²	81.6	6%	0.062	43%	0.43	C	S	.	.	H	α-helix	trans	-60.7	-42.1	175.3	-70.9	167.9	0	0	0	110.7	L65 R70 Y73 F74 L86 S87 E88 T95	L65-I91 HydrophobicContact CD1-CG2 4.13Å; L65-I91 HydrophobicContact CD2-CG1 4.32Å; R70-I91 HydrophobicContact CB-CG2 4.41Å; Y73-I91 HydrophobicContact CD1-CD1 4.18Å; Y73-I91 HydrophobicContact CE1-CD1 3.69Å; Y73-I91 HydrophobicContact CE1-CG1 4.45Å; F74-I91 HydrophobicContact CZ-CD1 3.99Å; L86-I91 HydrophobicContact CB-CD1 4.27Å; L86-I91 HydrophobicContact CB-CG1 3.89Å; L86-I91 HydrophobicContact CD1-CG1 4.11Å; S87-I91 WeakPolarHBondContact O-CG1 3.4Å; S87-I91 PolarHBondContact O-N 3.43Å; E88-I91 PolarHBondContact O-N 3.42Å; I91-T95 WeakPolarHBondContact O-CB 3.33Å; I91-T95 WeakPolarHBondContact O-CG2 3.46Å; I91-T95 PolarHBondContact O-N 2.82Å; I91-T95 VanDerWaalsContact O-N 3.08Å; I91-T95 PolarHBondContact O-OG1 2.94Å
92	V	90.9	Very high	85.1	Confident	87 Å²	87	75.9 Å²	75.9	53%	0.527	42%	0.423	S	S	.	.	H	α-helix	trans	-67.8	-42.5	174.2	171	0	0	0	0	111.4	E88 D89 E90 T95 S96	E88-V92 WeakPolarHBondContact O-CG2 3.28Å; E88-V92 PolarHBondContact O-N 2.87Å; D89-V92 PolarHBondContact O-N 2.85Å; E90-V92 VanDerWaalsContact C-N 3.31Å; E90-V92 PolarHBondContact O-N 2.79Å; V92-T95 PolarHBondContact O-OG1 3.02Å; V92-S96 VanDerWaalsContact O-CB 3.24Å; V92-S96 WeakPolarHBondContact O-CB 3.41Å; V92-S96 PolarHBondContact O-N 3.45Å; V92-S96 PolarHBondContact O-OG 2.97Å
93	F	88.6	Confident	83	Confident	65 Å²	65	78.7 Å²	78.7	29%	0.285	45%	0.446	S	S	.	.	H	α-helix	trans	-59.5	-49.3	176.3	173.2	-91.9	0	0	0	111.9	D89 E90 S96 N97	D89-F93 WeakPolarHBondContact O-CB 3.3Å; D89-F93 PolarHBondContact O-N 2.76Å; E90-F93 PolarHBondContact O-N 3.21Å; F93-S96 PolarHBondContact O-N 3.31Å; F93-N97 WeakPolarHBondContact CD2-ND2 3.48Å; F93-N97 HydrophobicContact CE2-CB 4.43Å; F93-N97 WeakPolarHBondContact CE2-ND2 3.12Å; F93-N97 HydrophobicContact CZ-CB 4.38Å; F93-N97 WeakPolarHBondContact O-CB 3.44Å; F93-N97 PolarHBondContact O-N 2.93Å; F93-N97 PolarHBondContact O-ND2 2.97Å
94	L	90	Very high	80.8	Confident	10 Å²	10	82.3 Å²	82.3	5%	0.052	45%	0.448	C	S	.	.	H	α-helix	trans	-62.3	-46.5	180	-70	171	0	0	0	111.5	L65 L86 E90 S96 V98 F253	L65-L94 HydrophobicContact CD2-CB 4.46Å; L65-L94 HydrophobicContact CD2-CD1 3.94Å; L86-L94 HydrophobicContact CD1-CD1 3.72Å; L86-L94 HydrophobicContact CD2-CD1 4.27Å; E90-L94 WeakPolarHBondContact O-CB 3.32Å; E90-L94 WeakPolarHBondContact O-CG 3.43Å; E90-L94 PolarHBondContact O-N 3.09Å; L94-S96 PolarHBondContact O-N 3.35Å; L94-V98 VanDerWaalsContact O-CG2 3.27Å; L94-V98 WeakPolarHBondContact O-CG2 3.44Å; L94-F253 HydrophobicContact CD2-CD1 4.04Å; L94-F253 HydrophobicContact CD2-CD2 3.72Å; L94-F253 HydrophobicContact CD2-CE1 3.62Å; L94-F253 HydrophobicContact CD2-CE2 3.27Å; L94-F253 HydrophobicContact CD2-CG 4.09Å; L94-F253 HydrophobicContact CD2-CZ 3.22Å
95	T	87.2	Confident	78.4	Confident	73 Å²	73	86.3 Å²	86.3	45%	0.448	47%	0.465	S	S	.	.	H	α-helix	trans	-71	-16.9	179	51.9	0	0	0	0	113.8	L65 I91 V92	L65-T95 HydrophobicContact CD1-CG2 4.13Å; L65-T95 HydrophobicContact CG-CG2 4.4Å; I91-T95 WeakPolarHBondContact O-CB 3.33Å; I91-T95 WeakPolarHBondContact O-CG2 3.46Å; I91-T95 PolarHBondContact O-N 2.82Å; I91-T95 VanDerWaalsContact O-N 3.08Å; I91-T95 PolarHBondContact O-OG1 2.94Å; V92-T95 PolarHBondContact O-OG1 3.02Å
96	S	86.6	Confident	75.9	Confident	83 Å²	83	89.8 Å²	89.8	58%	0.58	48%	0.483	S	S	*	.	H	α-helix	trans	-95.2	-28.5	178.4	-55.9	0	0	0	0	114.3	V92 F93 L94	V92-S96 VanDerWaalsContact O-CB 3.24Å; V92-S96 WeakPolarHBondContact O-CB 3.41Å; V92-S96 PolarHBondContact O-N 3.45Å; V92-S96 PolarHBondContact O-OG 2.97Å; F93-S96 PolarHBondContact O-N 3.31Å; L94-S96 PolarHBondContact O-N 3.35Å
97	N	83.6	Confident	73.6	Confident	63 Å²	63	95.9 Å²	95.9	34%	0.337	52%	0.521	S	S	.	.	S	Bend	trans	-113.9	19.7	-170.5	-59.9	-72.6	0	0	0	113.9	F93 E99 F253	F93-N97 WeakPolarHBondContact CD2-ND2 3.48Å; F93-N97 HydrophobicContact CE2-CB 4.43Å; F93-N97 WeakPolarHBondContact CE2-ND2 3.12Å; F93-N97 HydrophobicContact CZ-CB 4.38Å; F93-N97 WeakPolarHBondContact O-CB 3.44Å; F93-N97 PolarHBondContact O-N 2.93Å; F93-N97 PolarHBondContact O-ND2 2.97Å; N97-E99 PolarHBondContact O-N 2.87Å; N97-F253 WeakPolarHBondContact O-CB 3.45Å
98	V	85.3	Confident	71.2	Confident	42 Å²	42	99 Å²	99	26%	0.255	53%	0.529	S	S	.	.			trans	-76.9	116.2	171.6	154.6	0	0	0	0	111	I66 L94 Q100 A251 K252 F253	I66-V98 HydrophobicContact CD1-CG2 3.85Å; I66-V98 HydrophobicContact CG1-CG2 4.02Å; I66-V98 HydrophobicContact CG2-CG1 4.02Å; I66-V98 HydrophobicContact CG2-CG2 3.86Å; L94-V98 VanDerWaalsContact O-CG2 3.27Å; L94-V98 WeakPolarHBondContact O-CG2 3.44Å; V98-Q100 HydrophobicContact CG1-CB 4.23Å; V98-Q100 PolarHBondContact O-N 2.81Å; V98-A251 HydrophobicContact CG1-CB 3.85Å; V98-K252 CarbonylContact C-O 3.59Å; V98-K252 WeakPolarHBondContact CA-O 3.29Å; V98-F253 HydrophobicContact CG2-CB 4.41Å; V98-F253 HydrophobicContact CG2-CD1 4.05Å
99	E	81.9	Confident	68.8	Low	113 Å²	113	101.6 Å²	101.6	53%	0.528	54%	0.542	S	S	.	.	B	Isolated β-bridge	trans	-78.8	95.7	159.6	-66	180	169.5	0	0	107.8	N97 K252	N97-E99 PolarHBondContact O-N 2.87Å; E99-K252 PolarHBondContact N-O 3.33Å; E99-K252 PolarHBondContact O-N 2.77Å
100	Q	75.4	Confident	66.4	Low	150 Å²	150	102 Å²	102	70%	0.701	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-78.1	120.5	170.9	-170.5	174	17.6	0	0	109.4	V98	V98-Q100 HydrophobicContact CG1-CB 4.23Å; V98-Q100 PolarHBondContact O-N 2.81Å
101	L	63.2	Low	64.2	Low	126 Å²	126	103.6 Å²	103.6	66%	0.66	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-58	130.3	170.2	-115.5	135.5	0	0	0	109.1	S103 G250	L101-S103 PolarHBondContact O-N 3.49Å; L101-G250 WeakPolarHBondContact CD1-O 3.14Å
102	P	52.6	Low	61.5	Low	112 Å²	112	108.8 Å²	108.8	73%	0.727	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-61	129.6	180	24.9	-33.9	0	0	0	109.6	Q104	P102-Q104 PolarHBondContact O-N 2.8Å
103	S	45.7	Very low	59.1	Low	92 Å²	92	109.5 Å²	109.5	64%	0.643	59%	0.593	S	S	*	*			trans	-58.2	113.4	174	53.8	0	0	0	0	109.1	L101 N105	L101-S103 PolarHBondContact O-N 3.49Å; S103-N105 PolarHBondContact O-N 3.43Å
104	Q	42.5	Very low	57	Low	158 Å²	158	112 Å²	112	74%	0.738	61%	0.613	S	S	*	*			trans	-75.3	61.3	179.7	-165.2	172.4	-5	0	0	110.6	P102 Q106	P102-Q104 PolarHBondContact O-N 2.8Å; Q104-Q106 PolarHBondContact O-N 3.12Å
105	N	38.5	Very low	54.5	Low	144 Å²	144	118.1 Å²	118.1	77%	0.77	65%	0.646	S	S	*	*			trans	-77.5	60	173	-69.4	-13.6	0	0	0	109.5	S103	S103-N105 PolarHBondContact O-N 3.43Å
106	Q	38.8	Very low	52.3	Low	137 Å²	137	120.7 Å²	120.7	64%	0.64	66%	0.657	S	S	*	*			trans	-116.2	119.2	163.2	-59.5	-155.2	113.1	0	0	108.2	Q104 E108	Q104-Q106 PolarHBondContact O-N 3.12Å; Q106-E108 HydrophobicContact CB-CG 3.93Å; Q106-E108 WeakPolarHBondContact CB-OE1 3.46Å; Q106-E108 PolarHBondContact NE2-OE1 2.7Å; Q106-E108 PolarHBondContact O-N 3.1Å
107	T	43.3	Very low	50.1	Low	148 Å²	148	124.5 Å²	124.5	91%	0.908	67%	0.666	S	S	*	*			trans	-72.6	70.1	158.5	-50.9	0	0	0	0	107.5	E109	T107-E109 PolarHBondContact O-N 3.14Å
108	E	40.5	Very low	48.2	Very low	115 Å²	115	126.6 Å²	126.6	54%	0.537	69%	0.686	S	S	.	*			trans	-70.9	114.7	163.6	-78.5	165.8	-115.8	0	0	106.7	Q106 I110	Q106-E108 HydrophobicContact CB-CG 3.93Å; Q106-E108 WeakPolarHBondContact CB-OE1 3.46Å; Q106-E108 PolarHBondContact NE2-OE1 2.7Å; Q106-E108 PolarHBondContact O-N 3.1Å; E108-I110 PolarHBondContact O-N 3.01Å
109	E	39.5	Very low	46.2	Very low	174 Å²	174	130.9 Å²	130.9	81%	0.813	72%	0.717	S	S	*	*			trans	-56.4	130.4	165.3	-75	-175.8	110.3	0	0	108.3	T107 V111	T107-E109 PolarHBondContact O-N 3.14Å; E109-V111 PolarHBondContact O-N 3.46Å
110	I	38.8	Very low	44.8	Very low	144 Å²	144	131.1 Å²	131.1	74%	0.738	73%	0.732	S	S	*	*			trans	-74.6	79	-176.9	-54.6	175.2	0	0	0	109.1	E108 D112	E108-I110 PolarHBondContact O-N 3.01Å; I110-D112 HydrophobicContact CG2-CB 4.3Å; I110-D112 WeakPolarHBondContact CG2-OD1 3.44Å; I110-D112 PolarHBondContact O-N 2.74Å
111	V	44.8	Very low	43.1	Very low	127 Å²	127	126.8 Å²	126.8	77%	0.77	73%	0.727	S	S	*	*			trans	-82.3	77.2	159.2	-175.9	0	0	0	0	106.6	E109 P113	E109-V111 PolarHBondContact O-N 3.46Å; V111-P113 WeakPolarHBondContact O-CD 3.35Å; V111-P113 VanDerWaalsContact O-N 3.14Å
112	D	33.7	Very low	42.6	Very low	121 Å²	121	126.9 Å²	126.9	65%	0.647	73%	0.733	S	S	*	*			trans	-53.8	113.7	-179.6	-97.5	-31	0	0	0	111.1	I110 T114	I110-D112 HydrophobicContact CG2-CB 4.3Å; I110-D112 WeakPolarHBondContact CG2-OD1 3.44Å; I110-D112 PolarHBondContact O-N 2.74Å; D112-T114 PolarHBondContact O-N 3.39Å
113	P	40.8	Very low	42.4	Very low	103 Å²	103	129 Å²	129	67%	0.669	73%	0.727	S	S	*	*			trans	-68.1	119.8	151.4	31	-28.7	0	0	0	106	V111 D115	V111-P113 WeakPolarHBondContact O-CD 3.35Å; V111-P113 VanDerWaalsContact O-N 3.14Å; P113-D115 PolarHBondContact O-N 3.49Å
114	T	44.5	Very low	42.6	Very low	116 Å²	116	135.2 Å²	135.2	71%	0.712	74%	0.737	S	S	*	*			trans	-75.1	56.4	-167.8	-36.1	0	0	0	0	113.7	D112 N116	D112-T114 PolarHBondContact O-N 3.39Å; T114-N116 PolarHBondContact O-N 3.03Å
115	D	36.7	Very low	42.9	Very low	139 Å²	139	130.4 Å²	130.4	74%	0.743	72%	0.719	S	S	*	*			trans	-73.4	76.5	171.6	-95.8	-26.3	0	0	0	109.8	P113 Q117	P113-D115 PolarHBondContact O-N 3.49Å; D115-Q117 PolarHBondContact O-N 3.39Å
116	N	41.4	Very low	43.7	Very low	127 Å²	127	129.6 Å²	129.6	68%	0.679	72%	0.72	S	S	*	*			trans	-68.3	64.8	167.8	-95.2	-41.9	0	0	0	110.7	T114	T114-N116 PolarHBondContact O-N 3.03Å
117	Q	39.9	Very low	44.3	Very low	163 Å²	163	130.2 Å²	130.2	76%	0.762	72%	0.722	S	S	*	*			trans	-120.6	71.8	171.5	-72.3	-65	-82.6	0	0	108.9	D115 S119	D115-Q117 PolarHBondContact O-N 3.39Å; Q117-S119 PolarHBondContact O-N 2.91Å
118	S	43.4	Very low	45	Very low	108 Å²	108	127.7 Å²	127.7	76%	0.755	71%	0.711	S	S	*	*			trans	-57.2	108	172.7	-58.8	0	0	0	0	111.1	S120	S118-S120 PolarHBondContact O-N 2.87Å; S118-S120 VanDerWaalsContact O-N 3.14Å
119	S	43.8	Very low	45.7	Very low	131 Å²	131	127.7 Å²	127.7	92%	0.916	71%	0.714	S	S	*	*			trans	-85.5	44.5	164.8	-150.9	0	0	0	0	111.3	Q117	Q117-S119 PolarHBondContact O-N 2.91Å
120	S	52.3	Low	46.7	Very low	119 Å²	119	124.4 Å²	124.4	83%	0.832	71%	0.706	S	S	*	*			trans	-109.8	68.9	170.8	-168.1	0	0	0	0	108.6	S118	S118-S120 PolarHBondContact O-N 2.87Å; S118-S120 VanDerWaalsContact O-N 3.14Å
121	G	41.1	Very low	47.6	Very low	58 Å²	58	126 Å²	126	60%	0.598	71%	0.71	S	S	*	*	S	Bend	trans	-136	128	171.6	0	0	0	0	0	107.8	Y123	G121-Y123 PolarHBondContact O-N 2.87Å
122	T	51.7	Low	48.6	Very low	129 Å²	129	125.2 Å²	125.2	79%	0.791	70%	0.7	S	S	*	*			trans	-73.5	78.2	-173.3	-42.8	0	0	0	0	110.9	W124	T122-W124 PolarHBondContact O-N 2.96Å
123	Y	49.1	Very low	50.4	Low	155 Å²	155	121.4 Å²	121.4	61%	0.608	68%	0.681	S	S	*	*			trans	-81.2	99.9	179.9	-165	-127.4	0	0	0	109.6	G121 P125 D129	G121-Y123 PolarHBondContact O-N 2.87Å; Y123-P125 HydrophobicContact CD1-CG 3.76Å; Y123-P125 HydrophobicContact CE1-CG 3.44Å; Y123-P125 VanDerWaalsContact CE1-CG 3.44Å; Y123-P125 HydrophobicContact CE2-CG 4.35Å; Y123-P125 HydrophobicContact CG-CG 4.35Å; Y123-P125 WeakPolarHBondContact O-CD 3.5Å; Y123-D129 WeakPolarHBondContact CE1-OD2 3.33Å; Y123-D129 PolarHBondContact OH-OD1 2.84Å; Y123-D129 PolarHBondContact OH-OD2 3.12Å; Y123-D129 VanDerWaalsContact OH-OD2 3.11Å
124	W	48.9	Very low	51.9	Low	224 Å²	224	123.1 Å²	123.1	85%	0.848	69%	0.685	S	S	*	*			trans	-111.5	91.7	169.7	-78	123.3	0	0	0	109.5	T122	T122-W124 PolarHBondContact O-N 2.96Å
125	P	50	Low	53.7	Low	57 Å²	57	119.2 Å²	119.2	37%	0.37	66%	0.66	S	S	.	*			trans	-67	139.1	174.6	-20.8	34.9	0	0	0	111.2	Y123 H127	Y123-P125 HydrophobicContact CD1-CG 3.76Å; Y123-P125 HydrophobicContact CE1-CG 3.44Å; Y123-P125 VanDerWaalsContact CE1-CG 3.44Å; Y123-P125 HydrophobicContact CE2-CG 4.35Å; Y123-P125 HydrophobicContact CG-CG 4.35Å; Y123-P125 WeakPolarHBondContact O-CD 3.5Å; P125-H127 WeakPolarHBondContact CB-O 3.34Å; P125-H127 PolarHBondContact O-N 2.79Å
126	T	55.1	Low	55.7	Low	126 Å²	126	116.4 Å²	116.4	77%	0.773	65%	0.645	S	S	*	*	S	Bend	trans	-76	-10.9	165.7	52.1	0	0	0	0	112.6
127	H	51.4	Low	57.5	Low	150 Å²	150	112 Å²	112	69%	0.694	62%	0.621	S	S	*	*	S	Bend	trans	-141.1	145.6	-179.1	-51.3	-57.2	0	0	0	109.3	P125 D129	P125-H127 WeakPolarHBondContact CB-O 3.34Å; P125-H127 PolarHBondContact O-N 2.79Å; H127-D129 PolarHBondContact O-N 2.85Å
128	S	56.6	Low	59.4	Low	96 Å²	96	105.9 Å²	105.9	67%	0.671	60%	0.602	S	S	*	*			trans	-64	125.7	177.9	170.4	0	0	0	0	111.8	V130	S128-V130 PolarHBondContact O-N 3Å; S128-V130 WeakPolarHBondContact OG-CB 3.43Å; S128-V130 PolarHBondContact OG-N 3.32Å; S128-V130 VanDerWaalsContact OG-N 3.13Å; S128-V130 PolarHBondContact OG-O 2.82Å
129	D	57.2	Low	61.5	Low	114 Å²	114	103 Å²	103	61%	0.61	57%	0.574	S	S	*	*	S	Bend	trans	-65.9	-17.6	170	-89.5	24.7	0	0	0	113.4	Y123 H127 E131	Y123-D129 WeakPolarHBondContact CE1-OD2 3.33Å; Y123-D129 PolarHBondContact OH-OD1 2.84Å; Y123-D129 PolarHBondContact OH-OD2 3.12Å; Y123-D129 VanDerWaalsContact OH-OD2 3.11Å; H127-D129 PolarHBondContact O-N 2.85Å; D129-E131 PolarHBondContact O-N 2.72Å
130	V	60	Low	63.3	Low	106 Å²	106	97.9 Å²	97.9	64%	0.642	54%	0.538	S	S	*	.	S	Bend	trans	-74.5	110.7	173.1	-174	0	0	0	0	108.6	S128 M132	S128-V130 PolarHBondContact O-N 3Å; S128-V130 WeakPolarHBondContact OG-CB 3.43Å; S128-V130 PolarHBondContact OG-N 3.32Å; S128-V130 VanDerWaalsContact OG-N 3.13Å; S128-V130 PolarHBondContact OG-O 2.82Å; V130-M132 PolarHBondContact O-N 3.14Å
131	E	57.6	Low	64.1	Low	176 Å²	176	97.2 Å²	97.2	82%	0.822	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-53.3	131.5	171.3	-67.4	-174.9	170.2	0	0	110.5	D129	D129-E131 PolarHBondContact O-N 2.72Å
132	M	65.6	Low	65.2	Low	111 Å²	111	96.5 Å²	96.5	55%	0.547	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-65.3	126.9	177.5	-64.9	-176.9	76.6	0	0	109.5	V130 N134 R304 A308	V130-M132 PolarHBondContact O-N 3.14Å; M132-N134 PolarHBondContact O-N 3.03Å; M132-N134 VanDerWaalsContact O-N 3.16Å; M132-R304 HydrophobicContact CE-CB 4.19Å; M132-R304 WeakPolarHBondContact CE-O 3.21Å; M132-A308 HydrophobicContact CB-CB 4.25Å; M132-A308 HydrophobicContact CE-CB 3.76Å; M132-A308 HydrophobicContact CG-CB 3.97Å
133	P	71.5	Confident	65.6	Low	41 Å²	41	97.4 Å²	97.4	27%	0.266	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-58.1	121.3	174.7	-19.7	32.5	0	0	0	109.8	Y307	P133-Y307 HydrophobicContact CB-CD1 4.25Å; P133-Y307 HydrophobicContact CB-CE1 4.02Å; P133-Y307 WeakPolarHBondContact O-CD1 3.2Å; P133-Y307 WeakPolarHBondContact O-CE1 3.49Å
134	N	71.4	Confident	66.1	Low	139 Å²	139	94.5 Å²	94.5	74%	0.743	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-61.2	144.2	179.5	-71.6	-61.5	0	0	0	111.3	M132 D136	M132-N134 PolarHBondContact O-N 3.03Å; M132-N134 VanDerWaalsContact O-N 3.16Å; N134-D136 VanDerWaalsContact C-N 3.29Å; N134-D136 PolarHBondContact O-N 3Å
135	L	82.4	Confident	66.5	Low	34 Å²	34	88.3 Å²	88.3	18%	0.178	48%	0.483	C	S	.	.			trans	-76.2	85.2	174.3	-71.4	160.8	0	0	0	108.1	L137 G138 W139 Y207 F303 R304 Y307	L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.07Å; L135-G138 WeakPolarHBondContact O-CA 3.27Å; L135-G138 PolarHBondContact O-N 3.36Å; L135-W139 HydrophobicContact CB-CB 4.35Å; L135-W139 HydrophobicContact CB-CE3 4.44Å; L135-W139 HydrophobicContact CD1-CB 4.14Å; L135-W139 HydrophobicContact CD1-CD2 3.7Å; L135-W139 HydrophobicContact CD1-CE3 3.72Å; L135-W139 HydrophobicContact CD1-CG 3.91Å; L135-W139 HydrophobicContact CD1-CZ3 4.3Å; L135-W139 HydrophobicContact CD2-CE3 3.95Å; L135-W139 HydrophobicContact CD2-CZ3 4.02Å; L135-W139 HydrophobicContact CG-CE3 4.25Å; L135-Y207 HydrophobicContact CB-CE1 4.37Å; L135-Y207 HydrophobicContact CD2-CD1 4.08Å; L135-Y207 HydrophobicContact CD2-CE1 3.81Å; L135-Y207 HydrophobicContact CD2-CE2 4.33Å; L135-Y207 HydrophobicContact CD2-CG 4.44Å; L135-Y207 PolarHBondContact O-OH 3.13Å; L135-F303 HydrophobicContact CD2-CE1 4.1Å; L135-R304 HydrophobicContact CD1-CG 4.23Å; L135-Y307 HydrophobicContact CD2-CD1 3.8Å; L135-Y307 HydrophobicContact CD2-CD2 4.09Å; L135-Y307 HydrophobicContact CD2-CE1 3.83Å; L135-Y307 HydrophobicContact CD2-CE2 4.16Å; L135-Y307 HydrophobicContact CD2-CG 3.94Å; L135-Y307 HydrophobicContact CG-CD1 4.34Å; L135-Y307 HydrophobicContact CG-CE1 4.37Å
136	D	78.3	Confident	67.2	Low	80 Å²	80	95.7 Å²	95.7	43%	0.428	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.1	-159.9	68.3	-61	0	0	0	115	N134 G138 Y207 R236 Y307	N134-D136 VanDerWaalsContact C-N 3.29Å; N134-D136 PolarHBondContact O-N 3Å; D136-G138 VanDerWaalsContact C-N 3.28Å; D136-Y207 PolarHBondContact N-OH 3.3Å; D136-R236 IonicContact OD1-NE 3.25Å; D136-R236 IonicContact OD2-CZ 3.09Å; D136-R236 IonicContact OD2-NE 2.93Å; D136-R236 PolarHBondContact OD2-NE 3.41Å; D136-R236 IonicContact OD2-NH2 2.96Å; D136-R236 PolarHBondContact OD2-NH2 2.99Å; D136-Y307 PolarHBondContact OD1-OH 3.26Å
137	L	79.9	Confident	67.9	Low	35 Å²	35	95 Å²	95	18%	0.183	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2	170.8	-51	-178.5	0	0	0	112.4	L135 P205 Y207 R233 N234 R236	L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.07Å; L137-P205 HydrophobicContact CB-CB 3.74Å; L137-P205 HydrophobicContact CB-CG 4.23Å; L137-P205 HydrophobicContact CD1-CB 4.39Å; L137-P205 VanDerWaalsContact O-CG 3.23Å; L137-P205 WeakPolarHBondContact O-CG 3.45Å; L137-Y207 WeakPolarHBondContact CA-OH 3.41Å; L137-Y207 HydrophobicContact CB-CE1 4.24Å; L137-Y207 HydrophobicContact CB-CE2 4.37Å; L137-Y207 WeakPolarHBondContact CB-OH 3.42Å; L137-Y207 HydrophobicContact CD1-CE1 4.39Å; L137-Y207 HydrophobicContact CG-CE1 4.19Å; L137-Y207 PolarHBondContact N-OH 3.25Å; L137-R233 VanDerWaalsContact CD2-O 3.24Å; L137-R233 WeakPolarHBondContact CD2-O 3.44Å; L137-N234 WeakPolarHBondContact CD1-O 3.43Å; L137-R236 HydrophobicContact CD1-CG 3.87Å; L137-R236 HydrophobicContact CD2-CG 4.49Å; L137-R236 HydrophobicContact CG-CG 4.01Å
138	G	80.7	Confident	69.5	Low	35 Å²	35	93.2 Å²	93.2	36%	0.361	50%	0.498	S	S	.	.			trans	91	164.1	-173.6	0	0	0	0	0	113.7	L135 D136 Y207	L135-G138 WeakPolarHBondContact O-CA 3.27Å; L135-G138 PolarHBondContact O-N 3.36Å; D136-G138 VanDerWaalsContact C-N 3.28Å; G138-Y207 PolarHBondContact N-OH 2.99Å; G138-Y207 VanDerWaalsContact N-OH 3.14Å; G138-Y207 WeakPolarHBondContact O-CE2 3.46Å; G138-Y207 PolarHBondContact O-OH 3.28Å
139	W	86.6	Confident	71.1	Confident	46 Å²	46	92.4 Å²	92.4	17%	0.174	49%	0.489	C	S	.	.			trans	-149.6	141.7	177.9	-160	-99	0	0	0	109.3	L135 V179 A181 Y207 L263 C266 D300 F303	L135-W139 HydrophobicContact CB-CB 4.35Å; L135-W139 HydrophobicContact CB-CE3 4.44Å; L135-W139 HydrophobicContact CD1-CB 4.14Å; L135-W139 HydrophobicContact CD1-CD2 3.7Å; L135-W139 HydrophobicContact CD1-CE3 3.72Å; L135-W139 HydrophobicContact CD1-CG 3.91Å; L135-W139 HydrophobicContact CD1-CZ3 4.3Å; L135-W139 HydrophobicContact CD2-CE3 3.95Å; L135-W139 HydrophobicContact CD2-CZ3 4.02Å; L135-W139 HydrophobicContact CG-CE3 4.25Å; W139-V179 HydrophobicContact CE3-CG1 3.82Å; W139-V179 HydrophobicContact CE3-CG2 4.33Å; W139-V179 HydrophobicContact CH2-CG1 4.17Å; W139-V179 HydrophobicContact CZ3-CG1 3.63Å; W139-A181 HydrophobicContact CH2-CB 3.52Å; W139-A181 HydrophobicContact CZ3-CB 3.94Å; W139-Y207 HydrophobicContact CE3-CD2 4.06Å; W139-Y207 AromaticContact CE3-CE2 3.68Å; W139-Y207 HydrophobicContact CE3-CE2 3.68Å; W139-Y207 AromaticContact CZ3-CD2 3.66Å; W139-Y207 HydrophobicContact CZ3-CD2 3.66Å; W139-Y207 AromaticContact CZ3-CE2 3.79Å; W139-Y207 HydrophobicContact CZ3-CE2 3.79Å; W139-Y207 HydrophobicContact CZ3-CG 4.45Å; W139-L263 HydrophobicContact CH2-CD2 4.19Å; W139-L263 HydrophobicContact CZ2-CD2 3.84Å; W139-C266 PolarHBondContact NE1-SG 2.92Å; W139-D300 VanDerWaalsContact CE2-OD1 3.3Å; W139-D300 VanDerWaalsContact CZ2-OD1 3.28Å; W139-D300 WeakPolarHBondContact CZ2-OD1 3.44Å; W139-D300 PolarHBondContact NE1-OD1 2.8Å; W139-F303 AromaticContact CH2-CD1 3.28Å; W139-F303 HydrophobicContact CH2-CD1 3.28Å; W139-F303 AromaticContact CH2-CE1 3.58Å; W139-F303 HydrophobicContact CH2-CE1 3.58Å; W139-F303 HydrophobicContact CH2-CG 4.06Å; W139-F303 HydrophobicContact CZ2-CD1 4.03Å; W139-F303 AromaticContact CZ3-CD1 3.89Å; W139-F303 HydrophobicContact CZ3-CD1 3.89Å; W139-F303 AromaticContact CZ3-CE1 3.7Å; W139-F303 HydrophobicContact CZ3-CE1 3.7Å
140	P	81.3	Confident	72.8	Confident	24 Å²	24	90.8 Å²	90.8	16%	0.156	48%	0.481	C	S	.	.			trans	-67.6	145.1	-179.1	29	-36.3	0	0	0	110.8	V142 V179 C266	P140-V142 PolarHBondContact O-N 3.07Å; P140-V179 VanDerWaalsContact CD-CG2 3.47Å; P140-C266 HydrophobicContact CG-CB 3.95Å
141	P	70.1	Confident	74.5	Confident	106 Å²	106	89.2 Å²	89.2	69%	0.688	47%	0.468	S	S	*	.			trans	-62	126	166	28.3	-33.1	0	0	0	107.8	Q143	P141-Q143 PolarHBondContact O-N 2.79Å
142	V	63.8	Low	76.2	Confident	42 Å²	42	84.9 Å²	84.9	26%	0.255	45%	0.45	S	S	.	.			trans	-73.9	91.1	-166.4	-145.7	0	0	0	0	110.5	P140 H144 C266 D300	P140-V142 PolarHBondContact O-N 3.07Å; V142-H144 VanDerWaalsContact C-N 3.26Å; V142-H144 WeakPolarHBondContact CG1-CE1 3.23Å; V142-H144 PolarHBondContact O-N 3.2Å; V142-C266 HydrophobicContact CG1-CB 4.35Å; V142-D300 WeakPolarHBondContact CG2-OD2 3.5Å
143	Q	59.4	Low	77.6	Confident	149 Å²	149	83.1 Å²	83.1	70%	0.696	44%	0.443	S	S	*	.			trans	-74.1	85.7	175.2	-62.3	-157.1	5.9	0	0	108.5	P141 E145	P141-Q143 PolarHBondContact O-N 2.79Å; Q143-E145 PolarHBondContact O-N 3.32Å
144	H	60	Low	78.7	Confident	94 Å²	94	81.9 Å²	81.9	44%	0.435	43%	0.434	S	S	.	.			trans	-66.2	83.4	172.8	-58	-43.5	0	0	0	109.8	V142 K146 K297	V142-H144 VanDerWaalsContact C-N 3.26Å; V142-H144 WeakPolarHBondContact CG1-CE1 3.23Å; V142-H144 PolarHBondContact O-N 3.2Å; H144-K146 PolarHBondContact O-N 3.38Å; H144-K297 WeakPolarHBondContact CE1-CD 3.48Å; H144-K297 VanDerWaalsContact CE1-CG 3.41Å; H144-K297 WeakPolarHBondContact CE1-CG 3.07Å; H144-K297 WeakPolarHBondContact NE2-CD 3.22Å; H144-K297 WeakPolarHBondContact NE2-CE 3.31Å
145	E	57.2	Low	79.8	Confident	94 Å²	94	77.7 Å²	77.7	44%	0.439	41%	0.408	S	S	.	.			trans	-51.1	133.2	171.3	-63.7	-170.1	128.5	0	0	109.4	Q143 H147	Q143-E145 PolarHBondContact O-N 3.32Å; E145-H147 HydrophobicContact CB-CB 4.41Å; E145-H147 PolarHBondContact O-N 3.17Å; E145-H147 IonicContact OE2-CD2 3.53Å
146	K	64.3	Low	80.3	Confident	212 Å²	212	77.4 Å²	77.4	92%	0.922	41%	0.405	S	S	*	.			trans	-75.6	27.9	180	-61.7	-179.3	-179.2	177.5	0	112.2	H144	H144-K146 PolarHBondContact O-N 3.38Å
147	H	71.5	Confident	81	Confident	112 Å²	112	77.5 Å²	77.5	52%	0.519	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-86.3	142.7	-179	-67.2	-35.4	0	0	0	110.8	E145	E145-H147 HydrophobicContact CB-CB 4.41Å; E145-H147 PolarHBondContact O-N 3.17Å; E145-H147 IonicContact OE2-CD2 3.53Å
148	P	84.5	Confident	81.5	Confident	112 Å²	112	78.6 Å²	78.6	73%	0.727	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-63	151.4	177.3	28.9	-35.5	0	0	0	110.3	N150	P148-N150 PolarHBondContact O-N 3.29Å
149	T	90.4	Very high	81.9	Confident	78 Å²	78	83.8 Å²	83.8	48%	0.479	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-67.4	117.4	178.3	49.3	0	0	0	0	110.7	T292 R294 L295	T149-T292 WeakPolarHBondContact CA-O 3.4Å; T149-R294 HydrophobicContact CG2-CB 4.09Å; T149-L295 HydrophobicContact CG2-CB 3.69Å
150	N	92.7	Very high	81.6	Confident	81 Å²	81	89.3 Å²	89.3	43%	0.433	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.1	173.4	-175.3	-94.6	0	0	0	109.2	P148 N152 I291 T292	P148-N150 PolarHBondContact O-N 3.29Å; N150-N152 PolarHBondContact OD1-ND2 2.9Å; N150-I291 WeakPolarHBondContact O-CA 3.27Å; N150-T292 PolarHBondContact N-O 3.18Å; N150-T292 PolarHBondContact O-N 3.44Å
151	I	95.3	Very high	81.6	Confident	73 Å²	73	96.4 Å²	96.4	37%	0.374	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	117.4	-176.1	-55.2	-177.1	0	0	0	108.2	L153 Q289 V290 I291 L295	I151-L153 HydrophobicContact CG2-CD2 4.34Å; I151-Q289 HydrophobicContact CG2-CB 4.03Å; I151-V290 WeakPolarHBondContact CA-O 3.48Å; I151-I291 HydrophobicContact CG1-CG1 4.21Å; I151-I291 HydrophobicContact CG1-CG2 4.39Å; I151-I291 HydrophobicContact CG2-CG1 4.17Å; I151-L295 HydrophobicContact CD1-CD2 4.2Å
152	N	93.4	Very high	82.5	Confident	85 Å²	85	95 Å²	95	46%	0.455	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.5	176.8	-59.4	-71.2	0	0	0	110	N150 Q289 V290	N150-N152 PolarHBondContact OD1-ND2 2.9Å; N152-Q289 WeakPolarHBondContact O-CA 3.36Å; N152-V290 PolarHBondContact N-O 3.12Å; N152-V290 PolarHBondContact O-N 2.6Å
153	L	95.2	Very high	83.8	Confident	74 Å²	74	96 Å²	96	39%	0.387	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.2	-176.9	-60.4	-178.5	0	0	0	111.5	I151 Y155 Q289	I151-L153 HydrophobicContact CG2-CD2 4.34Å; L153-Y155 HydrophobicContact CB-CE2 3.83Å; L153-Y155 WeakPolarHBondContact CD1-OH 3.37Å; L153-Y155 WeakPolarHBondContact O-CE2 3.31Å; L153-Q289 HydrophobicContact CD2-CB 4.18Å; L153-Q289 HydrophobicContact CD2-CG 3.66Å
154	L	94.2	Very high	85.4	Confident	15 Å²	15	90.6 Å²	90.6	8%	0.079	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	152.8	173	-61.5	174.8	0	0	0	110.4	I165 V168 M287 V288 V290	L154-I165 HydrophobicContact CB-CG1 3.91Å; L154-V168 HydrophobicContact CD1-CB 3.85Å; L154-V168 HydrophobicContact CD1-CG1 3.74Å; L154-V168 HydrophobicContact CD1-CG2 3.75Å; L154-M287 WeakPolarHBondContact O-CA 3.47Å; L154-M287 WeakPolarHBondContact O-CG 3.47Å; L154-V288 PolarHBondContact N-O 3.22Å; L154-V288 PolarHBondContact O-N 2.63Å; L154-V290 HydrophobicContact CD1-CG2 3.72Å; L154-V290 HydrophobicContact CG-CG2 4.39Å
155	Y	94.4	Very high	87.1	Confident	50 Å²	50	86.2 Å²	86.2	20%	0.196	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.5	-173.5	-61.2	-88.3	0	0	0	110	L153 P157 P158 R159 S286 M287	L153-Y155 HydrophobicContact CB-CE2 3.83Å; L153-Y155 WeakPolarHBondContact CD1-OH 3.37Å; L153-Y155 WeakPolarHBondContact O-CE2 3.31Å; Y155-P157 CarbonylContact C-O 3.56Å; Y155-P157 CarbonylContact O-C 3.48Å; Y155-P158 WeakPolarHBondContact O-CA 3.49Å; Y155-R159 HydrophobicContact CD2-CG 4.04Å; Y155-R159 VanDerWaalsContact CD2-NE 3.32Å; Y155-R159 VanDerWaalsContact CE1-NH2 3.26Å; Y155-R159 HydrophobicContact CG-CG 4.35Å; Y155-S286 WeakPolarHBondContact CA-O 3.37Å; Y155-M287 HydrophobicContact CD1-CB 4.18Å; Y155-M287 HydrophobicContact CD1-CG 3.89Å; Y155-M287 HydrophobicContact CD1-SD 4.31Å; Y155-M287 HydrophobicContact CE1-CB 4.26Å; Y155-M287 HydrophobicContact CE1-CG 3.59Å; Y155-M287 HydrophobicContact CE1-SD 3.46Å; Y155-M287 WeakPolarHBondContact CE1-SD 3.47Å
156	H	92.7	Very high	88.9	Confident	28 Å²	28	82.6 Å²	82.6	13%	0.13	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.3	166.2	-167.6	70.4	0	0	0	110.5	I165 F280 E281 L285 S286	H156-I165 HydrophobicContact CB-CD1 3.9Å; H156-I165 HydrophobicContact CB-CG1 4.42Å; H156-F280 PolarHBondContact CD2-O 3.35Å; H156-F280 PolarHBondContact NE2-O 3.11Å; H156-E281 PolarHBondContact CE1-O 3.49Å; H156-E281 PolarHBondContact NE2-O 2.84Å; H156-L285 WeakPolarHBondContact O-CA 3.41Å; H156-S286 WeakPolarHBondContact CB-OG 3.1Å; H156-S286 PolarHBondContact N-O 3.28Å; H156-S286 PolarHBondContact O-N 2.81Å; H156-S286 VanDerWaalsContact O-N 3.12Å
157	P	92.4	Very high	90.3	Very high	83 Å²	83	77.8 Å²	77.8	54%	0.539	41%	0.412	S	S	.	.	S	Bend	cis	-57.2	152.4	-6	-26.3	36	0	0	0	114.3	Y155 L285	Y155-P157 CarbonylContact C-O 3.56Å; Y155-P157 CarbonylContact O-C 3.48Å; P157-L285 VanDerWaalsContact CD-CD2 3.48Å; P157-L285 HydrophobicContact CG-CD2 4.48Å
158	P	92.1	Very high	91.5	Very high	58 Å²	58	73.5 Å²	73.5	38%	0.377	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-63.8	145.2	-177.6	27.2	-36.3	0	0	0	112	Y155 T164	Y155-P158 WeakPolarHBondContact O-CA 3.49Å; P158-T164 HydrophobicContact CB-CG2 4.49Å; P158-T164 HydrophobicContact CG-CG2 4.02Å
159	R	88.1	Confident	92	Very high	144 Å²	144	68.4 Å²	68.4	54%	0.543	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-77.2	159.4	168.6	-65.7	-176.8	178.9	-178	1	109.9	Y155 N161 N162	Y155-R159 HydrophobicContact CD2-CG 4.04Å; Y155-R159 VanDerWaalsContact CD2-NE 3.32Å; Y155-R159 VanDerWaalsContact CE1-NH2 3.26Å; Y155-R159 HydrophobicContact CG-CG 4.35Å; R159-N161 PolarHBondContact O-N 3.22Å; R159-N162 WeakPolarHBondContact O-CB 3.38Å; R159-N162 PolarHBondContact O-N 3.24Å
160	L	80.4	Confident	92.3	Very high	161 Å²	161	68.6 Å²	68.6	84%	0.843	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	134.8	178	-64.9	173.5	0	0	0	111.3	N162	L160-N162 PolarHBondContact O-N 3.26Å; L160-N162 VanDerWaalsContact O-N 3.14Å; L160-N162 PolarHBondContact O-ND2 2.79Å
161	N	81.9	Confident	92.5	Very high	174 Å²	174	70.6 Å²	70.6	93%	0.93	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	15.1	-178.6	-54.1	-17.3	0	0	0	116.1	R159	R159-N161 PolarHBondContact O-N 3.22Å
162	N	87.7	Confident	92.5	Very high	77 Å²	77	69.2 Å²	69.2	41%	0.412	35%	0.349	S	S	.	.			trans	-106.9	141.4	173.1	-69.5	-101.7	0	0	0	110.4	R159 L160	R159-N162 WeakPolarHBondContact O-CB 3.38Å; R159-N162 PolarHBondContact O-N 3.24Å; L160-N162 PolarHBondContact O-N 3.26Å; L160-N162 VanDerWaalsContact O-N 3.14Å; L160-N162 PolarHBondContact O-ND2 2.79Å
163	P	91.5	Very high	92.7	Very high	62 Å²	62	65.1 Å²	65.1	40%	0.403	33%	0.327	S	S	.	.			trans	-67.4	162.7	171.6	31.5	-36.9	0	0	0	111.4	V168	P163-V168 HydrophobicContact CB-CG2 3.9Å; P163-V168 HydrophobicContact CG-CG2 3.4Å; P163-V168 VanDerWaalsContact CG-CG2 3.4Å
164	T	93.6	Very high	92.7	Very high	36 Å²	36	66.1 Å²	66.1	22%	0.221	33%	0.33	C	S	.	.			trans	-70.3	155.2	171.7	65.8	0	0	0	0	111.4	P158 K166 E167 V168	P158-T164 HydrophobicContact CB-CG2 4.49Å; P158-T164 HydrophobicContact CG-CG2 4.02Å; T164-K166 VanDerWaalsContact C-N 3.25Å; T164-K166 PolarHBondContact O-N 3.46Å; T164-E167 VanDerWaalsContact CB-OE2 3.28Å; T164-E167 WeakPolarHBondContact CB-OE2 3.44Å; T164-E167 WeakPolarHBondContact CG2-OE2 3.29Å; T164-E167 PolarHBondContact N-OE2 3.19Å; T164-E167 PolarHBondContact O-N 2.88Å; T164-E167 WeakPolarHBondContact OG1-CB 3.43Å; T164-E167 WeakPolarHBondContact OG1-CG 3.45Å; T164-E167 PolarHBondContact OG1-N 3.12Å; T164-E167 PolarHBondContact OG1-OE2 3.23Å; T164-V168 PolarHBondContact O-N 3.09Å; T164-V168 VanDerWaalsContact O-N 3.17Å
165	I	95.3	Very high	92.7	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-56.4	-41.5	175	-65.5	179.4	0	0	0	110.8	L154 H156 V168 I169 Y274 V288	L154-I165 HydrophobicContact CB-CG1 3.91Å; H156-I165 HydrophobicContact CB-CD1 3.9Å; H156-I165 HydrophobicContact CB-CG1 4.42Å; I165-V168 PolarHBondContact O-N 3.15Å; I165-I169 HydrophobicContact CG2-CD1 3.58Å; I165-I169 HydrophobicContact CG2-CG1 4.42Å; I165-I169 WeakPolarHBondContact O-CD1 3.29Å; I165-I169 VanDerWaalsContact O-CG1 3.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.39Å; I165-I169 PolarHBondContact O-N 2.81Å; I165-Y274 HydrophobicContact CB-CD2 4.15Å; I165-Y274 HydrophobicContact CB-CE2 4.39Å; I165-Y274 HydrophobicContact CD1-CD2 4.34Å; I165-Y274 HydrophobicContact CG2-CD1 4.05Å; I165-Y274 HydrophobicContact CG2-CD2 3.74Å; I165-Y274 HydrophobicContact CG2-CE2 4.21Å; I165-Y274 HydrophobicContact CG2-CG 3.67Å; I165-V288 HydrophobicContact CD1-CB 4.05Å; I165-V288 HydrophobicContact CD1-CG2 3.95Å; I165-V288 HydrophobicContact CG1-CB 4.43Å; I165-V288 HydrophobicContact CG2-CB 4.24Å; I165-V288 HydrophobicContact CG2-CG2 3.86Å
166	K	95.2	Very high	92.8	Very high	19 Å²	19	67.3 Å²	67.3	8%	0.083	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-41.6	179.4	-177	164.8	173.4	171.1	0	113.2	T164 R170 D189 D191 I192 E281	T164-K166 VanDerWaalsContact C-N 3.25Å; T164-K166 PolarHBondContact O-N 3.46Å; K166-R170 WeakPolarHBondContact O-CB 3.22Å; K166-R170 WeakPolarHBondContact O-CG 3.48Å; K166-R170 PolarHBondContact O-N 3.36Å; K166-D189 WeakPolarHBondContact CE-OD1 3.32Å; K166-D189 WeakPolarHBondContact CE-OD2 3.46Å; K166-D189 IonicContact NZ-OD1 3.34Å; K166-D189 PolarHBondContact NZ-OD1 2.97Å; K166-D189 IonicContact NZ-OD2 2.72Å; K166-D189 PolarHBondContact NZ-OD2 3.34Å; K166-D191 VanDerWaalsContact CE-OD2 3.29Å; K166-D191 WeakPolarHBondContact CE-OD2 3.36Å; K166-D191 IonicContact NZ-OD2 3.16Å; K166-D191 PolarHBondContact NZ-OD2 2.98Å; K166-I192 HydrophobicContact CG-CD1 4.28Å; K166-I192 HydrophobicContact CG-CG1 4.36Å; K166-E281 HydrophobicContact CD-CG 4.2Å; K166-E281 VanDerWaalsContact CD-OE2 3.28Å; K166-E281 WeakPolarHBondContact CD-OE2 3.16Å; K166-E281 WeakPolarHBondContact CE-OE2 3.36Å; K166-E281 IonicContact NZ-OE2 3.71Å; K166-E281 PolarHBondContact NZ-OE2 3.06Å
167	E	94.6	Very high	92.7	Very high	111 Å²	111	75.8 Å²	75.8	52%	0.519	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-41.7	175.5	-72.9	159.8	140.2	0	0	111.8	T164 K171	T164-E167 VanDerWaalsContact CB-OE2 3.28Å; T164-E167 WeakPolarHBondContact CB-OE2 3.44Å; T164-E167 WeakPolarHBondContact CG2-OE2 3.29Å; T164-E167 PolarHBondContact N-OE2 3.19Å; T164-E167 PolarHBondContact O-N 2.88Å; T164-E167 WeakPolarHBondContact OG1-CB 3.43Å; T164-E167 WeakPolarHBondContact OG1-CG 3.45Å; T164-E167 PolarHBondContact OG1-N 3.12Å; T164-E167 PolarHBondContact OG1-OE2 3.23Å; E167-K171 WeakPolarHBondContact O-CB 3.48Å; E167-K171 PolarHBondContact O-N 3.38Å
168	V	95.6	Very high	92.7	Very high	21 Å²	21	75 Å²	75	13%	0.127	36%	0.364	C	S	.	.	H	α-helix	trans	-66.8	-44.3	178.5	174	0	0	0	0	111.5	L154 P163 T164 I165 K171 H172 V290	L154-V168 HydrophobicContact CD1-CB 3.85Å; L154-V168 HydrophobicContact CD1-CG1 3.74Å; L154-V168 HydrophobicContact CD1-CG2 3.75Å; P163-V168 HydrophobicContact CB-CG2 3.9Å; P163-V168 HydrophobicContact CG-CG2 3.4Å; P163-V168 VanDerWaalsContact CG-CG2 3.4Å; T164-V168 PolarHBondContact O-N 3.09Å; T164-V168 VanDerWaalsContact O-N 3.17Å; I165-V168 PolarHBondContact O-N 3.15Å; V168-K171 PolarHBondContact O-N 2.62Å; V168-H172 VanDerWaalsContact CG1-CD2 3.48Å; V168-H172 WeakPolarHBondContact CG1-CD2 3.42Å; V168-H172 PolarHBondContact O-CD2 3.36Å; V168-H172 PolarHBondContact O-N 3.02Å; V168-V290 HydrophobicContact CG1-CG2 4.23Å
169	I	96.3	Very high	92.8	Very high	5 Å²	5	72.3 Å²	72.3	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-51.9	175.2	-72	162	0	0	0	110.7	I165 K171 H172 I173 I192 L262 Y274 F276	I165-I169 HydrophobicContact CG2-CD1 3.58Å; I165-I169 HydrophobicContact CG2-CG1 4.42Å; I165-I169 WeakPolarHBondContact O-CD1 3.29Å; I165-I169 VanDerWaalsContact O-CG1 3.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.39Å; I165-I169 PolarHBondContact O-N 2.81Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 2.81Å; I169-H172 PolarHBondContact O-N 3.29Å; I169-I173 HydrophobicContact CG2-CD1 3.63Å; I169-I173 WeakPolarHBondContact O-CD1 3.44Å; I169-I173 VanDerWaalsContact O-CG1 3.32Å; I169-I173 WeakPolarHBondContact O-CG1 3.37Å; I169-I173 PolarHBondContact O-N 3.13Å; I169-I192 HydrophobicContact CG2-CD1 4.25Å; I169-I192 HydrophobicContact CG2-CG1 4.44Å; I169-I192 HydrophobicContact CG2-CG2 4.11Å; I169-L262 HydrophobicContact CG2-CD2 3.91Å; I169-Y274 HydrophobicContact CD1-CD1 3.93Å; I169-Y274 HydrophobicContact CD1-CE1 4.08Å; I169-F276 HydrophobicContact CD1-CE1 3.83Å; I169-F276 HydrophobicContact CG2-CE1 4.18Å; I169-F276 HydrophobicContact CG2-CZ 3.95Å
170	R	96.6	Very high	93.2	Very high	82 Å²	82	65.5 Å²	65.5	31%	0.309	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-44.3	178.7	-71.9	179.9	64.9	176.2	2.1	111.6	K166 I173 Q174 I192 E195	K166-R170 WeakPolarHBondContact O-CB 3.22Å; K166-R170 WeakPolarHBondContact O-CG 3.48Å; K166-R170 PolarHBondContact O-N 3.36Å; R170-I173 PolarHBondContact O-N 3.29Å; R170-Q174 WeakPolarHBondContact O-CG 3.33Å; R170-Q174 PolarHBondContact O-N 3.37Å; R170-I192 HydrophobicContact CG-CG1 4.18Å; R170-E195 HydrophobicContact CB-CG 4.05Å; R170-E195 HydrophobicContact CG-CG 3.86Å; R170-E195 IonicContact CZ-OE1 3.04Å; R170-E195 IonicContact NE-OE1 3.29Å; R170-E195 PolarHBondContact NE-OE1 2.87Å; R170-E195 IonicContact NH2-OE1 2.7Å; R170-E195 PolarHBondContact NH2-OE1 2.86Å
171	K	96.1	Very high	94	Very high	123 Å²	123	57.8 Å²	57.8	54%	0.535	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-49.2	177.3	-175.5	-174.6	171.7	-168.8	0	112	E167 V168 I169 I173 Q174 D175	E167-K171 WeakPolarHBondContact O-CB 3.48Å; E167-K171 PolarHBondContact O-N 3.38Å; V168-K171 PolarHBondContact O-N 2.62Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 2.81Å; K171-I173 VanDerWaalsContact C-N 3.28Å; K171-I173 PolarHBondContact O-N 3.29Å; K171-Q174 WeakPolarHBondContact O-CB 3.5Å; K171-Q174 PolarHBondContact O-N 3.24Å; K171-Q174 VanDerWaalsContact O-N 3.09Å; K171-D175 WeakPolarHBondContact CE-OD2 3.28Å; K171-D175 PolarHBondContact O-N 3.11Å
172	H	95.7	Very high	94.7	Very high	44 Å²	44	49.5 Å²	49.5	20%	0.204	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-33.4	179.9	-76.7	-75.9	0	0	0	112.3	V168 I169 Q174 D175 A176 I264 I270	V168-H172 VanDerWaalsContact CG1-CD2 3.48Å; V168-H172 WeakPolarHBondContact CG1-CD2 3.42Å; V168-H172 PolarHBondContact O-CD2 3.36Å; V168-H172 PolarHBondContact O-N 3.02Å; I169-H172 PolarHBondContact O-N 3.29Å; H172-Q174 VanDerWaalsContact C-N 3.34Å; H172-D175 PolarHBondContact O-N 3.2Å; H172-A176 WeakPolarHBondContact O-CB 3.2Å; H172-A176 PolarHBondContact O-N 3.23Å; H172-A176 VanDerWaalsContact O-N 3.08Å; H172-I264 HydrophobicContact CB-CD1 3.55Å; H172-I270 HydrophobicContact CB-CD1 4.13Å
173	I	96.3	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-32.1	173.6	-68	162.8	0	0	0	111.9	I169 R170 K171 I180 I192 E195 I196 A199 R202 L262 I264	I169-I173 HydrophobicContact CG2-CD1 3.63Å; I169-I173 WeakPolarHBondContact O-CD1 3.44Å; I169-I173 VanDerWaalsContact O-CG1 3.32Å; I169-I173 WeakPolarHBondContact O-CG1 3.37Å; I169-I173 PolarHBondContact O-N 3.13Å; R170-I173 PolarHBondContact O-N 3.29Å; K171-I173 VanDerWaalsContact C-N 3.28Å; K171-I173 PolarHBondContact O-N 3.29Å; I173-I180 HydrophobicContact CG2-CD1 3.96Å; I173-I192 HydrophobicContact CD1-CG2 3.96Å; I173-E195 HydrophobicContact CB-CB 4.28Å; I173-E195 HydrophobicContact CG2-CB 3.54Å; I173-I196 HydrophobicContact CD1-CD1 4.12Å; I173-I196 HydrophobicContact CD1-CG1 3.94Å; I173-I196 HydrophobicContact CG1-CG1 4.47Å; I173-I196 HydrophobicContact CG2-CG1 3.91Å; I173-A199 HydrophobicContact CG2-CB 4.47Å; I173-R202 PolarHBondContact O-NH2 3.26Å; I173-L262 HydrophobicContact CD1-CD2 4.13Å; I173-L262 HydrophobicContact CG1-CD2 4.16Å; I173-I264 HydrophobicContact CG1-CD1 4.26Å
174	Q	95.8	Very high	95.4	Very high	95 Å²	95	43.1 Å²	43.1	44%	0.444	20%	0.199	S	C	.	.	H	α-helix	trans	-72.9	-41.8	172.2	-71.2	173.2	-11.7	0	0	112.3	R170 K171 H172 A176 E195 R202	R170-Q174 WeakPolarHBondContact O-CG 3.33Å; R170-Q174 PolarHBondContact O-N 3.37Å; K171-Q174 WeakPolarHBondContact O-CB 3.5Å; K171-Q174 PolarHBondContact O-N 3.24Å; K171-Q174 VanDerWaalsContact O-N 3.09Å; H172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-A176 VanDerWaalsContact C-N 3.3Å; Q174-A176 PolarHBondContact O-N 3.02Å; Q174-E195 VanDerWaalsContact CG-OE2 3.29Å; Q174-E195 WeakPolarHBondContact CG-OE2 3.37Å; Q174-E195 PolarHBondContact NE2-OE1 2.84Å; Q174-E195 PolarHBondContact NE2-OE2 2.99Å; Q174-R202 PolarHBondContact O-NH2 3.38Å; Q174-R202 VanDerWaalsContact O-NH2 3.14Å
175	D	95.4	Very high	95.4	Very high	85 Å²	85	42.5 Å²	42.5	46%	0.455	19%	0.194	S	C	.	.	H	α-helix	trans	-71.3	-21.1	-179.3	-76.5	-29	0	0	0	113.5	K171 H172 R177	K171-D175 WeakPolarHBondContact CE-OD2 3.28Å; K171-D175 PolarHBondContact O-N 3.11Å; H172-D175 PolarHBondContact O-N 3.2Å; D175-R177 WeakPolarHBondContact O-CG 3.45Å
176	A	94.9	Very high	95.3	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.033	21%	0.214	C	C	.	.			trans	-61.3	140.5	-177.7	0	0	0	0	0	114.2	H172 Q174 I180 I264	H172-A176 WeakPolarHBondContact O-CB 3.2Å; H172-A176 PolarHBondContact O-N 3.23Å; H172-A176 VanDerWaalsContact O-N 3.08Å; Q174-A176 VanDerWaalsContact C-N 3.3Å; Q174-A176 PolarHBondContact O-N 3.02Å; A176-I180 HydrophobicContact CB-CD1 3.85Å; A176-I180 HydrophobicContact CB-CG1 3.74Å; A176-I264 HydrophobicContact CB-CG2 3.66Å
177	R	91.9	Very high	95.3	Very high	206 Å²	206	46.4 Å²	46.4	78%	0.777	21%	0.212	S	C	*	.			trans	-131.4	-21.3	-170.1	-54.5	-172	-179.4	-169.6	-2.7	116.5	D175 D265	D175-R177 WeakPolarHBondContact O-CG 3.45Å; R177-D265 PolarHBondContact N-OD1 3.3Å; R177-D265 PolarHBondContact N-OD2 3.14Å
178	T	90.9	Very high	95.3	Very high	66 Å²	66	43.7 Å²	43.7	41%	0.405	20%	0.203	S	C	.	.	S	Bend	trans	-125.8	-45.6	-167.7	67.8	0	0	0	0	113.5	P205 D265	T178-P205 VanDerWaalsContact O-CD 3.31Å; T178-P205 WeakPolarHBondContact O-CD 3.25Å; T178-D265 VanDerWaalsContact CA-OD1 3.3Å; T178-D265 WeakPolarHBondContact CA-OD1 3.44Å; T178-D265 WeakPolarHBondContact CB-OD1 3.49Å; T178-D265 PolarHBondContact N-OD1 3.4Å; T178-D265 WeakPolarHBondContact OG1-CA 3.48Å; T178-D265 WeakPolarHBondContact OG1-CB 3.49Å; T178-D265 PolarHBondContact OG1-OD1 3.11Å
179	V	94.8	Very high	95.3	Very high	3 Å²	3	43 Å²	43	2%	0.018	20%	0.198	C	C	.	.			trans	-156.2	141.6	175.5	165.9	0	0	0	0	109.7	W139 P140 A181 P205 Y207 D265	W139-V179 HydrophobicContact CE3-CG1 3.82Å; W139-V179 HydrophobicContact CE3-CG2 4.33Å; W139-V179 HydrophobicContact CH2-CG1 4.17Å; W139-V179 HydrophobicContact CZ3-CG1 3.63Å; P140-V179 VanDerWaalsContact CD-CG2 3.47Å; V179-A181 HydrophobicContact CG1-CB 4.4Å; V179-P205 WeakPolarHBondContact CA-O 3.49Å; V179-P205 HydrophobicContact CG2-CB 4.19Å; V179-Y207 HydrophobicContact CG1-CD2 4.22Å; V179-Y207 HydrophobicContact CG1-CE2 4.34Å; V179-D265 PolarHBondContact N-OD1 3.36Å; V179-D265 PolarHBondContact O-N 3.44Å
180	I	96.8	Very high	95.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.8	161.9	-58.5	179	0	0	0	108.5	I173 A176 I182 A199 V204 P205 V206 Y207 L262	I173-I180 HydrophobicContact CG2-CD1 3.96Å; A176-I180 HydrophobicContact CB-CD1 3.85Å; A176-I180 HydrophobicContact CB-CG1 3.74Å; I180-I182 HydrophobicContact CG2-CD1 3.81Å; I180-I182 HydrophobicContact CG2-CG1 4.01Å; I180-A199 HydrophobicContact CD1-CB 3.61Å; I180-V204 HydrophobicContact CG1-CG1 4.12Å; I180-P205 PolarHBondContact N-O 3.41Å; I180-V206 HydrophobicContact CB-CG2 4.34Å; I180-V206 CarbonylContact O-C 3.45Å; I180-V206 WeakPolarHBondContact O-CA 3.32Å; I180-Y207 PolarHBondContact O-N 2.71Å; I180-L262 HydrophobicContact CG2-CD1 3.81Å
181	A	96.6	Very high	95.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.4	176.1	0	0	0	0	0	110.4	W139 V179 Y207 L262 L263 F303	W139-A181 HydrophobicContact CH2-CB 3.52Å; W139-A181 HydrophobicContact CZ3-CB 3.94Å; V179-A181 HydrophobicContact CG1-CB 4.4Å; A181-Y207 CarbonylContact C-O 3.6Å; A181-Y207 WeakPolarHBondContact CA-O 3.34Å; A181-L262 CarbonylContact O-C 3.37Å; A181-L262 WeakPolarHBondContact O-CA 3.31Å; A181-L263 HydrophobicContact CB-CB 4.15Å; A181-L263 PolarHBondContact N-O 3.3Å; A181-L263 PolarHBondContact O-N 3.16Å; A181-F303 HydrophobicContact CB-CD1 4.2Å; A181-F303 HydrophobicContact CB-CD2 3.95Å; A181-F303 HydrophobicContact CB-CE1 4Å; A181-F303 HydrophobicContact CB-CE2 3.74Å; A181-F303 HydrophobicContact CB-CG 4.19Å; A181-F303 HydrophobicContact CB-CZ 3.77Å
182	I	97.1	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.4	-172.7	-66.4	144.2	0	0	0	109.1	I180 M184 I196 V206 Y207 V208 L209 L262 F276	I180-I182 HydrophobicContact CG2-CD1 3.81Å; I180-I182 HydrophobicContact CG2-CG1 4.01Å; I182-M184 HydrophobicContact CG2-CB 4Å; I182-I196 HydrophobicContact CD1-CD1 3.52Å; I182-I196 HydrophobicContact CD1-CG1 4.08Å; I182-I196 HydrophobicContact CD1-CG2 4.33Å; I182-V206 HydrophobicContact CD1-CG1 4.24Å; I182-Y207 PolarHBondContact N-O 3.33Å; I182-V208 HydrophobicContact CB-CG1 4.17Å; I182-V208 HydrophobicContact CD1-CG2 4.08Å; I182-V208 HydrophobicContact CG2-CG1 3.99Å; I182-L209 PolarHBondContact O-N 3.25Å; I182-L262 HydrophobicContact CG1-CD1 3.69Å; I182-F276 HydrophobicContact CG2-CE2 4.3Å
183	V	97.1	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.6	168.5	-174.1	0	0	0	0	106.8	L209 M257 Q259 K260 F261 F303 L306	V183-L209 WeakPolarHBondContact CA-O 3.41Å; V183-L209 HydrophobicContact CG2-CB 4.39Å; V183-L209 HydrophobicContact CG2-CD1 4.38Å; V183-M257 HydrophobicContact CG1-CE 3.59Å; V183-M257 HydrophobicContact CG1-SD 3.59Å; V183-M257 VanDerWaalsContact CG1-SD 3.59Å; V183-Q259 HydrophobicContact CG1-CB 4.08Å; V183-K260 WeakPolarHBondContact O-CA 3.43Å; V183-F261 HydrophobicContact CB-CD1 3.95Å; V183-F261 HydrophobicContact CB-CE1 3.94Å; V183-F261 HydrophobicContact CB-CG 4.33Å; V183-F261 HydrophobicContact CB-CZ 4.31Å; V183-F261 HydrophobicContact CG1-CD1 4.4Å; V183-F261 HydrophobicContact CG1-CE1 4.21Å; V183-F261 HydrophobicContact CG2-CD1 4.1Å; V183-F261 HydrophobicContact CG2-CD2 4.27Å; V183-F261 HydrophobicContact CG2-CE1 3.67Å; V183-F261 HydrophobicContact CG2-CE2 3.86Å; V183-F261 HydrophobicContact CG2-CG 4.39Å; V183-F261 HydrophobicContact CG2-CZ 3.55Å; V183-F261 PolarHBondContact N-O 3.22Å; V183-F261 PolarHBondContact O-N 3.29Å; V183-F261 VanDerWaalsContact O-O 3.11Å; V183-F303 HydrophobicContact CG2-CD2 3.54Å; V183-F303 HydrophobicContact CG2-CE2 3.83Å; V183-L306 HydrophobicContact CG1-CD1 3.72Å; V183-L306 HydrophobicContact CG2-CD1 4.1Å
184	M	96.4	Very high	95	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	136.8	-169.6	-169.2	58.5	49.2	0	0	112.4	I182 K186 F187 L209 L210 D211 M257 K260 F276	I182-M184 HydrophobicContact CG2-CB 4Å; M184-K186 WeakPolarHBondContact CG-O 3.16Å; M184-F187 HydrophobicContact CG-CB 4.19Å; M184-L209 PolarHBondContact N-O 3.44Å; M184-L210 HydrophobicContact CB-CD2 3.97Å; M184-L210 WeakPolarHBondContact O-CA 3.46Å; M184-D211 PolarHBondContact O-N 2.67Å; M184-M257 VanDerWaalsContact O-CE 3.3Å; M184-M257 WeakPolarHBondContact O-CE 3.44Å; M184-K260 HydrophobicContact CE-CG 4.33Å; M184-K260 HydrophobicContact SD-CD 4.23Å; M184-K260 HydrophobicContact SD-CG 3.87Å; M184-F276 HydrophobicContact CE-CD1 3.51Å; M184-F276 HydrophobicContact CE-CD2 4.1Å; M184-F276 HydrophobicContact CE-CE1 3.38Å; M184-F276 HydrophobicContact CE-CE2 4.01Å; M184-F276 HydrophobicContact CE-CG 3.88Å; M184-F276 HydrophobicContact CE-CZ 3.66Å; M184-F276 HydrophobicContact CG-CB 4.31Å; M184-F276 HydrophobicContact CG-CD2 4.38Å; M184-F276 HydrophobicContact CG-CG 4.24Å; M184-F276 HydrophobicContact SD-CB 4.29Å; M184-F276 HydrophobicContact SD-CD1 3.94Å; M184-F276 HydrophobicContact SD-CE1 4.41Å; M184-F276 HydrophobicContact SD-CG 4.02Å; M184-F276 PolarHBondContact SD-N 3.38Å; M184-F276 VanDerWaalsContact SD-N 3.44Å
185	D	94.1	Very high	95	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.123	18%	0.181	C	C	.	.	S	Bend	trans	-73.9	-50.9	174.7	61.7	-13.5	0	0	0	111.5	N214 K260 S275	D185-N214 WeakPolarHBondContact O-CB 3.15Å; D185-K260 WeakPolarHBondContact OD1-CD 3.48Å; D185-K260 IonicContact OD1-NZ 2.71Å; D185-K260 WeakPolarHBondContact OD2-CE 3.38Å; D185-K260 IonicContact OD2-NZ 2.62Å; D185-K260 PolarHBondContact OD2-NZ 3.02Å; D185-S275 WeakPolarHBondContact OD1-CB 3.27Å; D185-S275 PolarHBondContact OD1-OG 2.92Å; D185-S275 PolarHBondContact OD2-OG 3.42Å
186	K	93.2	Very high	95	Very high	98 Å²	98	33.5 Å²	33.5	43%	0.426	16%	0.16	S	C	.	.			trans	-131	116.5	-175.6	-79.3	164.5	-179.9	163.1	0	110.1	M184 N214 F276	M184-K186 WeakPolarHBondContact CG-O 3.16Å; K186-N214 WeakPolarHBondContact CE-OD1 3.41Å; K186-N214 HydrophobicContact CG-CB 4.01Å; K186-N214 VanDerWaalsContact CG-OD1 3.26Å; K186-N214 WeakPolarHBondContact CG-OD1 3.38Å; K186-F276 CarbonylContact O-C 3.59Å; K186-F276 PolarHBondContact O-N 2.83Å
187	F	95.3	Very high	95	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.022	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-122.6	98.1	177.5	-167.1	-179.2	0	0	0	110.8	M184 I192 F193 I196 V208 L210 F218 M221 F276	M184-F187 HydrophobicContact CG-CB 4.19Å; F187-I192 HydrophobicContact CE2-CB 4.45Å; F187-I192 HydrophobicContact CE2-CG2 4.36Å; F187-I192 HydrophobicContact CZ-CG2 4.44Å; F187-F193 HydrophobicContact CE1-CD2 4.33Å; F187-F193 HydrophobicContact CE2-CB 3.84Å; F187-F193 HydrophobicContact CZ-CB 3.82Å; F187-F193 AromaticContact CZ-CD2 3.94Å; F187-F193 HydrophobicContact CZ-CD2 3.94Å; F187-F193 HydrophobicContact CZ-CG 4.33Å; F187-I196 HydrophobicContact CE1-CD1 3.99Å; F187-I196 HydrophobicContact CZ-CD1 3.64Å; F187-V208 HydrophobicContact CD1-CG1 4.27Å; F187-V208 HydrophobicContact CE1-CG1 4.46Å; F187-L210 HydrophobicContact CB-CD2 3.84Å; F187-L210 HydrophobicContact CD1-CD2 4.2Å; F187-F218 HydrophobicContact CB-CD2 3.95Å; F187-F218 AromaticContact CD1-CD2 3.69Å; F187-F218 HydrophobicContact CD1-CD2 3.69Å; F187-F218 AromaticContact CD1-CE2 3.59Å; F187-F218 HydrophobicContact CD1-CE2 3.59Å; F187-F218 HydrophobicContact CE1-CD2 4.31Å; F187-F218 AromaticContact CE1-CE2 3.77Å; F187-F218 HydrophobicContact CE1-CE2 3.77Å; F187-F218 AromaticContact CG-CD2 3.8Å; F187-F218 HydrophobicContact CG-CD2 3.8Å; F187-F218 HydrophobicContact CG-CE2 4.11Å; F187-F218 HydrophobicContact CZ-CE2 4.42Å; F187-F218 WeakPolarHBondContact O-CA 3.43Å; F187-F218 WeakPolarHBondContact O-CB 3.49Å; F187-M221 HydrophobicContact CD2-CE 4.19Å; F187-M221 HydrophobicContact CE2-CE 4.25Å; F187-F276 CarbonylContact C-O 3.45Å; F187-F276 WeakPolarHBondContact CA-O 3.3Å; F187-F276 HydrophobicContact CB-CB 4.46Å; F187-F276 HydrophobicContact CD1-CD2 4.38Å; F187-F276 HydrophobicContact CD2-CB 3.61Å; F187-F276 AromaticContact CD2-CD2 3.84Å; F187-F276 HydrophobicContact CD2-CD2 3.84Å; F187-F276 HydrophobicContact CD2-CG 4.26Å; F187-F276 HydrophobicContact CE1-CD2 4.35Å; F187-F276 HydrophobicContact CE2-CB 4.17Å; F187-F276 AromaticContact CE2-CD2 3.81Å; F187-F276 HydrophobicContact CE2-CD2 3.81Å; F187-F276 HydrophobicContact CE2-CG 4.49Å; F187-F276 HydrophobicContact CG-CB 4.2Å; F187-F276 HydrophobicContact CG-CD2 4.15Å; F187-F276 HydrophobicContact CZ-CD2 4.08Å
188	T	95.3	Very high	95.1	Very high	54 Å²	54	28.3 Å²	28.3	33%	0.331	15%	0.148	S	C	.	.			trans	-137.1	19	176	76.8	0	0	0	0	112.2	M221 F276 S277	T188-M221 WeakPolarHBondContact CA-SD 2.96Å; T188-F276 CarbonylContact C-O 3.43Å; T188-F276 PolarHBondContact N-O 3.48Å; T188-S277 WeakPolarHBondContact OG1-CB 3.45Å
189	D	95.2	Very high	95.3	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	13%	0.128	C	C	.	.			trans	-91.8	108.9	176.9	-168.8	-63.6	0	0	0	111.2	K166 D191 I192 F193 F276	K166-D189 WeakPolarHBondContact CE-OD1 3.32Å; K166-D189 WeakPolarHBondContact CE-OD2 3.46Å; K166-D189 IonicContact NZ-OD1 3.34Å; K166-D189 PolarHBondContact NZ-OD1 2.97Å; K166-D189 IonicContact NZ-OD2 2.72Å; K166-D189 PolarHBondContact NZ-OD2 3.34Å; D189-D191 VanDerWaalsContact C-N 3.32Å; D189-D191 PolarHBondContact O-N 3.16Å; D189-D191 WeakPolarHBondContact OD1-CB 3.4Å; D189-D191 PolarHBondContact OD1-N 3.08Å; D189-I192 HydrophobicContact CB-CB 4.27Å; D189-I192 HydrophobicContact CB-CD1 4.05Å; D189-I192 HydrophobicContact CB-CG1 4.29Å; D189-I192 PolarHBondContact O-N 2.96Å; D189-I192 PolarHBondContact OD1-N 3.4Å; D189-F193 WeakPolarHBondContact O-CB 3.41Å; D189-F193 PolarHBondContact O-N 3.48Å; D189-F276 HydrophobicContact CB-CB 4.25Å; D189-F276 WeakPolarHBondContact CB-O 3.26Å; D189-F276 PolarHBondContact N-O 2.62Å
190	V	94.3	Very high	95.2	Very high	44 Å²	44	25.2 Å²	25.2	27%	0.267	13%	0.128	S	C	.	.	H	α-helix	trans	-62.5	-35	-176.7	176.4	0	0	0	0	113.2	K194 M221 H225	V190-K194 HydrophobicContact CG1-CD 4.12Å; V190-K194 WeakPolarHBondContact O-CD 3.48Å; V190-K194 VanDerWaalsContact O-CG 3.29Å; V190-K194 WeakPolarHBondContact O-CG 3.3Å; V190-K194 PolarHBondContact O-N 3.01Å; V190-K194 VanDerWaalsContact O-N 3.11Å; V190-M221 HydrophobicContact CG2-CG 4.23Å; V190-M221 HydrophobicContact CG2-SD 4.29Å; V190-H225 WeakPolarHBondContact CG1-NE2 3.46Å; V190-H225 WeakPolarHBondContact CG2-NE2 3.35Å
191	D	94.2	Very high	95	Very high	62 Å²	62	30.2 Å²	30.2	33%	0.332	16%	0.159	S	C	.	.	H	α-helix	trans	-73.7	-46.8	-177.1	-59.9	-50.4	0	0	0	109.9	K166 D189 F193 K194 E195	K166-D191 VanDerWaalsContact CE-OD2 3.29Å; K166-D191 WeakPolarHBondContact CE-OD2 3.36Å; K166-D191 IonicContact NZ-OD2 3.16Å; K166-D191 PolarHBondContact NZ-OD2 2.98Å; D189-D191 VanDerWaalsContact C-N 3.32Å; D189-D191 PolarHBondContact O-N 3.16Å; D189-D191 WeakPolarHBondContact OD1-CB 3.4Å; D189-D191 PolarHBondContact OD1-N 3.08Å; D191-F193 VanDerWaalsContact C-N 3.31Å; D191-F193 PolarHBondContact O-N 3.24Å; D191-K194 PolarHBondContact O-N 3.36Å; D191-E195 PolarHBondContact O-N 2.86Å
192	I	96.1	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-40.1	177.5	-60.6	172.2	0	0	0	110.2	K166 I169 R170 I173 F187 D189 K194 E195 I196 Y274 F276	K166-I192 HydrophobicContact CG-CD1 4.28Å; K166-I192 HydrophobicContact CG-CG1 4.36Å; I169-I192 HydrophobicContact CG2-CD1 4.25Å; I169-I192 HydrophobicContact CG2-CG1 4.44Å; I169-I192 HydrophobicContact CG2-CG2 4.11Å; R170-I192 HydrophobicContact CG-CG1 4.18Å; I173-I192 HydrophobicContact CD1-CG2 3.96Å; F187-I192 HydrophobicContact CE2-CB 4.45Å; F187-I192 HydrophobicContact CE2-CG2 4.36Å; F187-I192 HydrophobicContact CZ-CG2 4.44Å; D189-I192 HydrophobicContact CB-CB 4.27Å; D189-I192 HydrophobicContact CB-CD1 4.05Å; D189-I192 HydrophobicContact CB-CG1 4.29Å; D189-I192 PolarHBondContact O-N 2.96Å; D189-I192 PolarHBondContact OD1-N 3.4Å; I192-K194 PolarHBondContact O-N 3.42Å; I192-E195 PolarHBondContact O-N 2.8Å; I192-I196 HydrophobicContact CG2-CD1 3.86Å; I192-I196 WeakPolarHBondContact O-CD1 3.39Å; I192-I196 WeakPolarHBondContact O-CG1 3.4Å; I192-I196 PolarHBondContact O-N 2.84Å; I192-Y274 HydrophobicContact CD1-CE1 4.35Å; I192-F276 HydrophobicContact CD1-CB 4.38Å; I192-F276 HydrophobicContact CD1-CD1 3.99Å; I192-F276 HydrophobicContact CD1-CD2 4.46Å; I192-F276 HydrophobicContact CD1-CE1 4.43Å; I192-F276 HydrophobicContact CD1-CG 4.02Å; I192-F276 HydrophobicContact CG2-CD2 3.66Å; I192-F276 HydrophobicContact CG2-CE2 3.62Å; I192-F276 HydrophobicContact CG2-CG 4.28Å; I192-F276 HydrophobicContact CG2-CZ 4.21Å
193	F	95.2	Very high	94.6	Very high	1 Å²	1	37 Å²	37	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-40.1	175.7	-175.4	-129.2	0	0	0	112.9	F187 D189 D191 I196 V197 F218 M221 A222 I227 L229 M235	F187-F193 HydrophobicContact CE1-CD2 4.33Å; F187-F193 HydrophobicContact CE2-CB 3.84Å; F187-F193 HydrophobicContact CZ-CB 3.82Å; F187-F193 AromaticContact CZ-CD2 3.94Å; F187-F193 HydrophobicContact CZ-CD2 3.94Å; F187-F193 HydrophobicContact CZ-CG 4.33Å; D189-F193 WeakPolarHBondContact O-CB 3.41Å; D189-F193 PolarHBondContact O-N 3.48Å; D191-F193 VanDerWaalsContact C-N 3.31Å; D191-F193 PolarHBondContact O-N 3.24Å; F193-I196 PolarHBondContact O-N 3.35Å; F193-V197 HydrophobicContact CD2-CG2 4.12Å; F193-V197 HydrophobicContact CE1-CG2 4.25Å; F193-V197 HydrophobicContact CE2-CG2 3.76Å; F193-V197 HydrophobicContact CG-CG2 4.5Å; F193-V197 HydrophobicContact CZ-CG2 3.83Å; F193-V197 WeakPolarHBondContact O-CG2 3.24Å; F193-V197 PolarHBondContact O-N 2.79Å; F193-F218 AromaticContact CD2-CE2 3.9Å; F193-F218 HydrophobicContact CD2-CE2 3.9Å; F193-F218 HydrophobicContact CD2-CZ 4.31Å; F193-F218 AromaticContact CE2-CE2 3.77Å; F193-F218 HydrophobicContact CE2-CE2 3.77Å; F193-F218 AromaticContact CE2-CZ 3.72Å; F193-F218 HydrophobicContact CE2-CZ 3.72Å; F193-F218 HydrophobicContact CZ-CE2 4.46Å; F193-F218 HydrophobicContact CZ-CZ 4.28Å; F193-M221 HydrophobicContact CB-CE 3.79Å; F193-M221 HydrophobicContact CB-SD 4.26Å; F193-M221 HydrophobicContact CD1-CE 3.75Å; F193-M221 HydrophobicContact CD1-SD 4.46Å; F193-M221 HydrophobicContact CD2-CE 4.12Å; F193-M221 HydrophobicContact CE1-CE 4.35Å; F193-M221 HydrophobicContact CG-CE 3.62Å; F193-A222 HydrophobicContact CE1-CB 4.01Å; F193-A222 HydrophobicContact CZ-CB 3.97Å; F193-I227 HydrophobicContact CD1-CD1 4.01Å; F193-I227 HydrophobicContact CE1-CB 4.02Å; F193-I227 HydrophobicContact CE1-CD1 3.55Å; F193-I227 HydrophobicContact CE1-CG1 4.37Å; F193-I227 HydrophobicContact CE1-CG2 3.91Å; F193-I227 HydrophobicContact CZ-CB 4.31Å; F193-I227 HydrophobicContact CZ-CD1 4.4Å; F193-I227 HydrophobicContact CZ-CG2 3.74Å; F193-L229 HydrophobicContact CE2-CD2 4.24Å; F193-L229 HydrophobicContact CZ-CD2 3.84Å; F193-M235 HydrophobicContact CE2-CE 4.2Å
194	K	93.9	Very high	94.5	Very high	108 Å²	108	37.4 Å²	37.4	47%	0.47	20%	0.2	S	C	.	.	H	α-helix	trans	-63.8	-40.9	176.4	-76.6	167	-177.6	169.6	0	113.1	V190 D191 I192 I196 V197 D198	V190-K194 HydrophobicContact CG1-CD 4.12Å; V190-K194 WeakPolarHBondContact O-CD 3.48Å; V190-K194 VanDerWaalsContact O-CG 3.29Å; V190-K194 WeakPolarHBondContact O-CG 3.3Å; V190-K194 PolarHBondContact O-N 3.01Å; V190-K194 VanDerWaalsContact O-N 3.11Å; D191-K194 PolarHBondContact O-N 3.36Å; I192-K194 PolarHBondContact O-N 3.42Å; K194-I196 VanDerWaalsContact C-N 3.28Å; K194-I196 PolarHBondContact O-N 2.87Å; K194-V197 PolarHBondContact O-N 2.83Å; K194-D198 WeakPolarHBondContact O-CB 3.38Å; K194-D198 PolarHBondContact O-N 3.26Å
195	E	95.7	Very high	94.5	Very high	19 Å²	19	38.2 Å²	38.2	9%	0.089	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-36	175.5	-55.5	-63.5	174.6	0	0	112.1	R170 I173 Q174 D191 I192 A199	R170-E195 HydrophobicContact CB-CG 4.05Å; R170-E195 HydrophobicContact CG-CG 3.86Å; R170-E195 IonicContact CZ-OE1 3.04Å; R170-E195 IonicContact NE-OE1 3.29Å; R170-E195 PolarHBondContact NE-OE1 2.87Å; R170-E195 IonicContact NH2-OE1 2.7Å; R170-E195 PolarHBondContact NH2-OE1 2.86Å; I173-E195 HydrophobicContact CB-CB 4.28Å; I173-E195 HydrophobicContact CG2-CB 3.54Å; Q174-E195 VanDerWaalsContact CG-OE2 3.29Å; Q174-E195 WeakPolarHBondContact CG-OE2 3.37Å; Q174-E195 PolarHBondContact NE2-OE1 2.84Å; Q174-E195 PolarHBondContact NE2-OE2 2.99Å; D191-E195 PolarHBondContact O-N 2.86Å; I192-E195 PolarHBondContact O-N 2.8Å; E195-A199 WeakPolarHBondContact O-CB 3.3Å; E195-A199 PolarHBondContact O-N 3.38Å
196	I	95.7	Very high	94.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-72.2	-42.2	179.3	-70.7	161.6	0	0	0	111.1	I173 I182 F187 I192 F193 K194 A199 S200 V206 M235	I173-I196 HydrophobicContact CD1-CD1 4.12Å; I173-I196 HydrophobicContact CD1-CG1 3.94Å; I173-I196 HydrophobicContact CG1-CG1 4.47Å; I173-I196 HydrophobicContact CG2-CG1 3.91Å; I182-I196 HydrophobicContact CD1-CD1 3.52Å; I182-I196 HydrophobicContact CD1-CG1 4.08Å; I182-I196 HydrophobicContact CD1-CG2 4.33Å; F187-I196 HydrophobicContact CE1-CD1 3.99Å; F187-I196 HydrophobicContact CZ-CD1 3.64Å; I192-I196 HydrophobicContact CG2-CD1 3.86Å; I192-I196 WeakPolarHBondContact O-CD1 3.39Å; I192-I196 WeakPolarHBondContact O-CG1 3.4Å; I192-I196 PolarHBondContact O-N 2.84Å; F193-I196 PolarHBondContact O-N 3.35Å; K194-I196 VanDerWaalsContact C-N 3.28Å; K194-I196 PolarHBondContact O-N 2.87Å; I196-A199 PolarHBondContact O-N 2.81Å; I196-S200 PolarHBondContact O-N 3.14Å; I196-V206 HydrophobicContact CG2-CB 4.48Å; I196-V206 HydrophobicContact CG2-CG1 3.56Å; I196-V206 HydrophobicContact CG2-CG2 4.23Å; I196-M235 HydrophobicContact CG2-SD 3.98Å
197	V	94.4	Very high	94.6	Very high	23 Å²	23	32.4 Å²	32.4	14%	0.139	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-43.9	174.2	173.3	0	0	0	0	110.2	F193 K194 A199 S200 V201 I227 L232	F193-V197 HydrophobicContact CD2-CG2 4.12Å; F193-V197 HydrophobicContact CE1-CG2 4.25Å; F193-V197 HydrophobicContact CE2-CG2 3.76Å; F193-V197 HydrophobicContact CG-CG2 4.5Å; F193-V197 HydrophobicContact CZ-CG2 3.83Å; F193-V197 WeakPolarHBondContact O-CG2 3.24Å; F193-V197 PolarHBondContact O-N 2.79Å; K194-V197 PolarHBondContact O-N 2.83Å; V197-A199 PolarHBondContact O-N 3.35Å; V197-S200 PolarHBondContact O-N 3.29Å; V197-S200 PolarHBondContact O-OG 3.45Å; V197-V201 WeakPolarHBondContact O-CG2 3.46Å; V197-V201 PolarHBondContact O-N 3.06Å; V197-I227 HydrophobicContact CG1-CG2 4.49Å; V197-I227 HydrophobicContact CG2-CD1 4.48Å; V197-I227 HydrophobicContact CG2-CG2 4Å; V197-L232 HydrophobicContact CG1-CD1 4.22Å; V197-L232 HydrophobicContact CG1-CD2 4.18Å; V197-L232 HydrophobicContact CG2-CD1 4.02Å
198	D	94.1	Very high	94.7	Very high	78 Å²	78	32.3 Å²	32.3	42%	0.417	18%	0.179	S	C	.	.	H	α-helix	trans	-57.8	-48.3	172.6	-175.5	79.3	0	0	0	111.3	K194 S200 V201 R202	K194-D198 WeakPolarHBondContact O-CB 3.38Å; K194-D198 PolarHBondContact O-N 3.26Å; D198-S200 VanDerWaalsContact C-N 3.28Å; D198-S200 PolarHBondContact O-N 2.79Å; D198-V201 CarbonylContact O-C 3.59Å; D198-V201 WeakPolarHBondContact O-CA 3.34Å; D198-V201 WeakPolarHBondContact O-CB 3.47Å; D198-V201 PolarHBondContact O-N 2.93Å; D198-R202 WeakPolarHBondContact O-CG 3.36Å; D198-R202 PolarHBondContact O-N 3.25Å; D198-R202 WeakPolarHBondContact OD2-CD 3.5Å; D198-R202 IonicContact OD2-CZ 2.77Å; D198-R202 IonicContact OD2-NE 2.72Å; D198-R202 IonicContact OD2-NH1 3.68Å; D198-R202 PolarHBondContact OD2-NH1 3Å
199	A	95	Very high	94.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.5	-40.8	176.3	0	0	0	0	0	113.1	I173 I180 E195 I196 V197 V201 R202 G203 V204	I173-A199 HydrophobicContact CG2-CB 4.47Å; I180-A199 HydrophobicContact CD1-CB 3.61Å; E195-A199 WeakPolarHBondContact O-CB 3.3Å; E195-A199 PolarHBondContact O-N 3.38Å; I196-A199 PolarHBondContact O-N 2.81Å; V197-A199 PolarHBondContact O-N 3.35Å; A199-V201 VanDerWaalsContact C-N 3.32Å; A199-V201 PolarHBondContact O-N 3.22Å; A199-R202 PolarHBondContact O-N 3Å; A199-G203 PolarHBondContact O-N 2.96Å; A199-V204 HydrophobicContact CB-CB 4.5Å; A199-V204 WeakPolarHBondContact O-CB 3.4Å; A199-V204 PolarHBondContact O-N 3.22Å
200	S	93.9	Very high	94.7	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-34.7	174.6	81.6	0	0	0	0	112.8	I196 V197 D198 G203 V204 N234	I196-S200 PolarHBondContact O-N 3.14Å; V197-S200 PolarHBondContact O-N 3.29Å; V197-S200 PolarHBondContact O-OG 3.45Å; D198-S200 VanDerWaalsContact C-N 3.28Å; D198-S200 PolarHBondContact O-N 2.79Å; S200-G203 PolarHBondContact O-N 3.31Å; S200-V204 WeakPolarHBondContact CA-O 3.25Å; S200-N234 WeakPolarHBondContact O-CB 3.5Å; S200-N234 PolarHBondContact O-ND2 2.98Å
201	V	92.8	Very high	94.7	Very high	106 Å²	106	27.6 Å²	27.6	64%	0.642	15%	0.15	S	C	*	.	H	α-helix	trans	-75.1	-32.7	175.3	173.1	0	0	0	0	111.9	V197 D198 A199 G203	V197-V201 WeakPolarHBondContact O-CG2 3.46Å; V197-V201 PolarHBondContact O-N 3.06Å; D198-V201 CarbonylContact O-C 3.59Å; D198-V201 WeakPolarHBondContact O-CA 3.34Å; D198-V201 WeakPolarHBondContact O-CB 3.47Å; D198-V201 PolarHBondContact O-N 2.93Å; A199-V201 VanDerWaalsContact C-N 3.32Å; A199-V201 PolarHBondContact O-N 3.22Å; V201-G203 PolarHBondContact O-N 3.25Å; V201-G203 VanDerWaalsContact O-N 3.14Å
202	R	93.7	Very high	94.5	Very high	100 Å²	100	25 Å²	25	38%	0.377	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.2	168.7	-61	-167.9	-46.4	-101.1	7.3	112.9	I173 Q174 D198 A199	I173-R202 PolarHBondContact O-NH2 3.26Å; Q174-R202 PolarHBondContact O-NH2 3.38Å; Q174-R202 VanDerWaalsContact O-NH2 3.14Å; D198-R202 WeakPolarHBondContact O-CG 3.36Å; D198-R202 PolarHBondContact O-N 3.25Å; D198-R202 WeakPolarHBondContact OD2-CD 3.5Å; D198-R202 IonicContact OD2-CZ 2.77Å; D198-R202 IonicContact OD2-NE 2.72Å; D198-R202 IonicContact OD2-NH1 3.68Å; D198-R202 PolarHBondContact OD2-NH1 3Å; A199-R202 PolarHBondContact O-N 3Å
203	G	91.6	Very high	94.1	Very high	43 Å²	43	27.8 Å²	27.8	44%	0.443	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	7.7	178.4	0	0	0	0	0	114.7	A199 S200 V201 P205	A199-G203 PolarHBondContact O-N 2.96Å; S200-G203 PolarHBondContact O-N 3.31Å; V201-G203 PolarHBondContact O-N 3.25Å; V201-G203 VanDerWaalsContact O-N 3.14Å; G203-P205 WeakPolarHBondContact O-CD 3.36Å
204	V	94.9	Very high	93.8	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.042	16%	0.162	C	C	.	.			trans	-82.4	123.4	178.8	-172.2	0	0	0	0	109.6	I180 A199 S200 V206	I180-V204 HydrophobicContact CG1-CG1 4.12Å; A199-V204 HydrophobicContact CB-CB 4.5Å; A199-V204 WeakPolarHBondContact O-CB 3.4Å; A199-V204 PolarHBondContact O-N 3.22Å; S200-V204 WeakPolarHBondContact CA-O 3.25Å; V204-V206 PolarHBondContact O-N 2.92Å
205	P	95.1	Very high	93.6	Very high	21 Å²	21	24.6 Å²	24.6	14%	0.136	14%	0.139	C	C	.	.			trans	-52.9	126	167	-29.5	35.3	0	0	0	113	L137 T178 V179 I180 G203 Y207	L137-P205 HydrophobicContact CB-CB 3.74Å; L137-P205 HydrophobicContact CB-CG 4.23Å; L137-P205 HydrophobicContact CD1-CB 4.39Å; L137-P205 VanDerWaalsContact O-CG 3.23Å; L137-P205 WeakPolarHBondContact O-CG 3.45Å; T178-P205 VanDerWaalsContact O-CD 3.31Å; T178-P205 WeakPolarHBondContact O-CD 3.25Å; V179-P205 WeakPolarHBondContact CA-O 3.49Å; V179-P205 HydrophobicContact CG2-CB 4.19Å; I180-P205 PolarHBondContact N-O 3.41Å; G203-P205 WeakPolarHBondContact O-CD 3.36Å; P205-Y207 HydrophobicContact CB-CE2 4.25Å
206	V	95.9	Very high	93.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.1	175.1	-178.4	0	0	0	0	109.7	I180 I182 I196 V204 V208 N234 M235 R236	I180-V206 HydrophobicContact CB-CG2 4.34Å; I180-V206 CarbonylContact O-C 3.45Å; I180-V206 WeakPolarHBondContact O-CA 3.32Å; I182-V206 HydrophobicContact CD1-CG1 4.24Å; I196-V206 HydrophobicContact CG2-CB 4.48Å; I196-V206 HydrophobicContact CG2-CG1 3.56Å; I196-V206 HydrophobicContact CG2-CG2 4.23Å; V204-V206 PolarHBondContact O-N 2.92Å; V206-V208 HydrophobicContact CG1-CG2 3.79Å; V206-N234 PolarHBondContact N-O 2.91Å; V206-M235 HydrophobicContact CB-CB 4.18Å; V206-M235 HydrophobicContact CB-CG 3.87Å; V206-M235 HydrophobicContact CB-SD 4.46Å; V206-M235 HydrophobicContact CG1-CG 3.85Å; V206-M235 HydrophobicContact CG1-SD 4.08Å; V206-M235 CarbonylContact O-C 3.6Å; V206-M235 VanDerWaalsContact O-CA 3.3Å; V206-M235 WeakPolarHBondContact O-CA 3.45Å; V206-R236 PolarHBondContact O-N 3.49Å
207	Y	95.4	Very high	93.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.5	168.2	-56.1	-91.4	0	0	0	109.5	L135 D136 L137 G138 W139 V179 I180 A181 I182 P205 R236 F303 Y307	L135-Y207 HydrophobicContact CB-CE1 4.37Å; L135-Y207 HydrophobicContact CD2-CD1 4.08Å; L135-Y207 HydrophobicContact CD2-CE1 3.81Å; L135-Y207 HydrophobicContact CD2-CE2 4.33Å; L135-Y207 HydrophobicContact CD2-CG 4.44Å; L135-Y207 PolarHBondContact O-OH 3.13Å; D136-Y207 PolarHBondContact N-OH 3.3Å; L137-Y207 WeakPolarHBondContact CA-OH 3.41Å; L137-Y207 HydrophobicContact CB-CE1 4.24Å; L137-Y207 HydrophobicContact CB-CE2 4.37Å; L137-Y207 WeakPolarHBondContact CB-OH 3.42Å; L137-Y207 HydrophobicContact CD1-CE1 4.39Å; L137-Y207 HydrophobicContact CG-CE1 4.19Å; L137-Y207 PolarHBondContact N-OH 3.25Å; G138-Y207 PolarHBondContact N-OH 2.99Å; G138-Y207 VanDerWaalsContact N-OH 3.14Å; G138-Y207 WeakPolarHBondContact O-CE2 3.46Å; G138-Y207 PolarHBondContact O-OH 3.28Å; W139-Y207 HydrophobicContact CE3-CD2 4.06Å; W139-Y207 AromaticContact CE3-CE2 3.68Å; W139-Y207 HydrophobicContact CE3-CE2 3.68Å; W139-Y207 AromaticContact CZ3-CD2 3.66Å; W139-Y207 HydrophobicContact CZ3-CD2 3.66Å; W139-Y207 AromaticContact CZ3-CE2 3.79Å; W139-Y207 HydrophobicContact CZ3-CE2 3.79Å; W139-Y207 HydrophobicContact CZ3-CG 4.45Å; V179-Y207 HydrophobicContact CG1-CD2 4.22Å; V179-Y207 HydrophobicContact CG1-CE2 4.34Å; I180-Y207 PolarHBondContact O-N 2.71Å; A181-Y207 CarbonylContact C-O 3.6Å; A181-Y207 WeakPolarHBondContact CA-O 3.34Å; I182-Y207 PolarHBondContact N-O 3.33Å; P205-Y207 HydrophobicContact CB-CE2 4.25Å; Y207-R236 CarbonylContact C-O 3.57Å; Y207-R236 HydrophobicContact CD1-CB 4.1Å; Y207-R236 HydrophobicContact CD1-CG 4.29Å; Y207-R236 HydrophobicContact CE1-CG 4.39Å; Y207-F303 HydrophobicContact CG-CZ 4.48Å; Y207-Y307 AromaticContact CD1-CE2 3.7Å; Y207-Y307 HydrophobicContact CD1-CE2 3.7Å; Y207-Y307 HydrophobicContact CE1-CE2 4.34Å
208	V	95.8	Very high	93.2	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114	179.9	-164.3	0	0	0	0	109	I182 F187 V206 L210 M235 R236 V237 R238	I182-V208 HydrophobicContact CB-CG1 4.17Å; I182-V208 HydrophobicContact CD1-CG2 4.08Å; I182-V208 HydrophobicContact CG2-CG1 3.99Å; F187-V208 HydrophobicContact CD1-CG1 4.27Å; F187-V208 HydrophobicContact CE1-CG1 4.46Å; V206-V208 HydrophobicContact CG1-CG2 3.79Å; V208-L210 HydrophobicContact CG1-CD1 4.42Å; V208-L210 HydrophobicContact CG1-CD2 3.86Å; V208-L210 HydrophobicContact CG1-CG 3.91Å; V208-M235 HydrophobicContact CG2-CG 4.36Å; V208-M235 HydrophobicContact CG2-SD 4.36Å; V208-R236 PolarHBondContact N-O 2.78Å; V208-V237 HydrophobicContact CB-CG1 4.36Å; V208-V237 HydrophobicContact CB-CG2 4.17Å; V208-V237 HydrophobicContact CG2-CG2 4.25Å; V208-V237 WeakPolarHBondContact O-CA 3.23Å; V208-R238 PolarHBondContact O-N 2.98Å
209	L	95.9	Very high	93.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120	169.4	-60.6	-174.2	0	0	0	108.5	I182 V183 M184 R238 V240 F303 L306 Y307	I182-L209 PolarHBondContact O-N 3.25Å; V183-L209 WeakPolarHBondContact CA-O 3.41Å; V183-L209 HydrophobicContact CG2-CB 4.39Å; V183-L209 HydrophobicContact CG2-CD1 4.38Å; M184-L209 PolarHBondContact N-O 3.44Å; L209-R238 WeakPolarHBondContact CA-O 3.37Å; L209-R238 HydrophobicContact CD2-CB 3.87Å; L209-V240 HydrophobicContact CB-CG2 4.2Å; L209-V240 HydrophobicContact CD1-CG2 4.38Å; L209-V240 HydrophobicContact CD2-CG2 4.37Å; L209-F303 HydrophobicContact CD1-CD2 4.17Å; L209-F303 HydrophobicContact CD1-CE2 3.68Å; L209-F303 HydrophobicContact CD1-CZ 4Å; L209-F303 HydrophobicContact CG-CE2 3.82Å; L209-F303 HydrophobicContact CG-CZ 4.02Å; L209-L306 HydrophobicContact CD1-CB 3.59Å; L209-Y307 HydrophobicContact CD2-CD2 3.88Å; L209-Y307 HydrophobicContact CD2-CE2 4.48Å
210	L	95.6	Very high	92.9	Very high	3 Å²	3	36 Å²	36	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150.9	179.5	-65	-179.6	0	0	0	111.4	M184 F187 V208 F215 F218 V237 R238 T239 V240	M184-L210 HydrophobicContact CB-CD2 3.97Å; M184-L210 WeakPolarHBondContact O-CA 3.46Å; F187-L210 HydrophobicContact CB-CD2 3.84Å; F187-L210 HydrophobicContact CD1-CD2 4.2Å; V208-L210 HydrophobicContact CG1-CD1 4.42Å; V208-L210 HydrophobicContact CG1-CD2 3.86Å; V208-L210 HydrophobicContact CG1-CG 3.91Å; L210-F215 HydrophobicContact CD1-CD2 4.07Å; L210-F218 HydrophobicContact CD1-CB 3.72Å; L210-F218 HydrophobicContact CD1-CD1 3.55Å; L210-F218 HydrophobicContact CD1-CD2 3.92Å; L210-F218 HydrophobicContact CD1-CE1 4.14Å; L210-F218 HydrophobicContact CD1-CE2 4.46Å; L210-F218 HydrophobicContact CD1-CG 3.43Å; L210-F218 VanDerWaalsContact CD1-CG 3.43Å; L210-V237 HydrophobicContact CD1-CG1 3.91Å; L210-V237 HydrophobicContact CG-CG1 4.39Å; L210-R238 PolarHBondContact N-O 3.04Å; L210-T239 CarbonylContact O-C 3.5Å; L210-T239 VanDerWaalsContact O-CA 3.23Å; L210-T239 WeakPolarHBondContact O-CA 3.27Å; L210-V240 PolarHBondContact O-N 3.49Å
211	D	94.2	Very high	92.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	141.4	165.2	173.4	70.8	0	0	0	111.5	M184 D213 N214 F215 A256 M257	M184-D211 PolarHBondContact O-N 2.67Å; D211-D213 PolarHBondContact OD2-N 3.44Å; D211-N214 HydrophobicContact CB-CB 4.47Å; D211-N214 PolarHBondContact OD2-N 3.34Å; D211-N214 PolarHBondContact OD2-ND2 2.76Å; D211-F215 PolarHBondContact O-N 2.83Å; D211-F215 VanDerWaalsContact O-N 3.07Å; D211-A256 VanDerWaalsContact OD1-CA 3.28Å; D211-A256 WeakPolarHBondContact OD1-CA 3.33Å; D211-A256 WeakPolarHBondContact OD1-CB 3.38Å; D211-M257 HydrophobicContact CB-CB 4.21Å; D211-M257 PolarHBondContact OD1-N 3.11Å
212	D	90.2	Very high	92.9	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.037	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-31.8	-169.5	-163.1	64	0	0	0	113.8	T239 V240 K241 R313	D212-T239 WeakPolarHBondContact OD1-CB 3.3Å; D212-T239 PolarHBondContact OD1-OG1 2.99Å; D212-V240 PolarHBondContact N-O 3Å; D212-K241 HydrophobicContact CB-CG 3.75Å; D212-K241 VanDerWaalsContact OD2-CE 3.27Å; D212-K241 WeakPolarHBondContact OD2-CE 3.41Å; D212-K241 IonicContact OD2-NZ 3.15Å; D212-K241 PolarHBondContact OD2-NZ 3.4Å; D212-R313 IonicContact OD1-CZ 2.69Å; D212-R313 VanDerWaalsContact OD1-CZ 3.29Å; D212-R313 IonicContact OD1-NE 3.59Å; D212-R313 PolarHBondContact OD1-NE 3.17Å; D212-R313 IonicContact OD1-NH2 2.76Å; D212-R313 PolarHBondContact OD1-NH2 2.93Å; D212-R313 IonicContact OD2-CZ 2.67Å; D212-R313 IonicContact OD2-NE 2.77Å; D212-R313 IonicContact OD2-NH2 3.23Å; D212-R313 PolarHBondContact OD2-NH2 3.25Å
213	D	87.5	Confident	92.7	Very high	60 Å²	60	32.1 Å²	32.1	32%	0.321	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-38.9	178.9	-62.7	-14.7	0	0	0	110.6	D211 H254	D211-D213 PolarHBondContact OD2-N 3.44Å; D213-H254 IonicContact OD1-CE1 2.74Å
214	N	88	Confident	92.7	Very high	40 Å²	40	35.2 Å²	35.2	21%	0.214	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-17	-174.8	-70.3	-77	0	0	0	113.6	D185 K186 D211 K216 S217	D185-N214 WeakPolarHBondContact O-CB 3.15Å; K186-N214 WeakPolarHBondContact CE-OD1 3.41Å; K186-N214 HydrophobicContact CG-CB 4.01Å; K186-N214 VanDerWaalsContact CG-OD1 3.26Å; K186-N214 WeakPolarHBondContact CG-OD1 3.38Å; D211-N214 HydrophobicContact CB-CB 4.47Å; D211-N214 PolarHBondContact OD2-N 3.34Å; D211-N214 PolarHBondContact OD2-ND2 2.76Å; N214-K216 VanDerWaalsContact C-N 3.27Å; N214-K216 PolarHBondContact O-N 3.04Å; N214-K216 VanDerWaalsContact O-N 3.16Å; N214-S217 WeakPolarHBondContact O-CB 3.32Å; N214-S217 PolarHBondContact O-N 3.44Å
215	F	91.1	Very high	92.3	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-48.6	-40.4	178.9	177.3	-113.4	0	0	0	114.8	L210 D211 S217 F218 L219 V237 T239 R313 E315 L316	L210-F215 HydrophobicContact CD1-CD2 4.07Å; D211-F215 PolarHBondContact O-N 2.83Å; D211-F215 VanDerWaalsContact O-N 3.07Å; F215-S217 PolarHBondContact O-N 3.19Å; F215-F218 HydrophobicContact CD2-CD1 4.49Å; F215-F218 HydrophobicContact CE2-CD1 4.32Å; F215-F218 WeakPolarHBondContact O-CB 3.49Å; F215-F218 PolarHBondContact O-N 3.47Å; F215-L219 HydrophobicContact CD1-CD1 4.24Å; F215-L219 HydrophobicContact CD1-CG 4.39Å; F215-L219 HydrophobicContact CE1-CD1 3.5Å; F215-L219 HydrophobicContact CE1-CD2 4.29Å; F215-L219 HydrophobicContact CE1-CG 3.79Å; F215-L219 HydrophobicContact CE2-CD2 4.12Å; F215-L219 HydrophobicContact CE2-CG 4.11Å; F215-L219 HydrophobicContact CZ-CD1 3.76Å; F215-L219 HydrophobicContact CZ-CD2 3.66Å; F215-L219 HydrophobicContact CZ-CG 3.61Å; F215-L219 PolarHBondContact O-N 3.38Å; F215-V237 HydrophobicContact CE2-CG1 3.95Å; F215-T239 HydrophobicContact CB-CG2 3.58Å; F215-T239 HydrophobicContact CD1-CG2 3.86Å; F215-T239 HydrophobicContact CD2-CG2 3.51Å; F215-T239 HydrophobicContact CE1-CG2 4.44Å; F215-T239 HydrophobicContact CE2-CG2 4.16Å; F215-T239 HydrophobicContact CG-CG2 3.34Å; F215-R313 HydrophobicContact CD1-CB 4.5Å; F215-R313 HydrophobicContact CD1-CG 3.96Å; F215-R313 HydrophobicContact CE1-CB 3.76Å; F215-R313 HydrophobicContact CE1-CG 3.71Å; F215-R313 HydrophobicContact CZ-CB 4.17Å; F215-R313 HydrophobicContact CZ-CG 4.33Å; F215-E315 WeakPolarHBondContact CE1-OE2 3.43Å; F215-L316 HydrophobicContact CE2-CD1 3.85Å; F215-L316 HydrophobicContact CZ-CD1 3.6Å; F215-L316 HydrophobicContact CZ-CD2 4.38Å; F215-L316 HydrophobicContact CZ-CG 3.86Å
216	K	91.1	Very high	91.7	Very high	143 Å²	143	43 Å²	43	62%	0.622	22%	0.219	S	C	*	.	H	α-helix	trans	-59.9	-30.5	178.2	-66.7	172.7	-177.8	167.1	0	112.9	N214 K220	N214-K216 VanDerWaalsContact C-N 3.27Å; N214-K216 PolarHBondContact O-N 3.04Å; N214-K216 VanDerWaalsContact O-N 3.16Å; K216-K220 PolarHBondContact O-N 3.05Å
217	S	91.7	Very high	91.1	Very high	62 Å²	62	44.5 Å²	44.5	43%	0.434	23%	0.226	S	C	.	.	H	α-helix	trans	-75.9	-31.5	177.6	-57.8	0	0	0	0	112.1	N214 F215 M221	N214-S217 WeakPolarHBondContact O-CB 3.32Å; N214-S217 PolarHBondContact O-N 3.44Å; F215-S217 PolarHBondContact O-N 3.19Å; S217-M221 PolarHBondContact O-N 3.01Å
218	F	93.2	Very high	90.5	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-70.2	-45.2	172.8	169.8	-95.4	0	0	0	111.7	F187 F193 L210 F215 K220 M221 A222 L229 V237	F187-F218 HydrophobicContact CB-CD2 3.95Å; F187-F218 AromaticContact CD1-CD2 3.69Å; F187-F218 HydrophobicContact CD1-CD2 3.69Å; F187-F218 AromaticContact CD1-CE2 3.59Å; F187-F218 HydrophobicContact CD1-CE2 3.59Å; F187-F218 HydrophobicContact CE1-CD2 4.31Å; F187-F218 AromaticContact CE1-CE2 3.77Å; F187-F218 HydrophobicContact CE1-CE2 3.77Å; F187-F218 AromaticContact CG-CD2 3.8Å; F187-F218 HydrophobicContact CG-CD2 3.8Å; F187-F218 HydrophobicContact CG-CE2 4.11Å; F187-F218 HydrophobicContact CZ-CE2 4.42Å; F187-F218 WeakPolarHBondContact O-CA 3.43Å; F187-F218 WeakPolarHBondContact O-CB 3.49Å; F193-F218 AromaticContact CD2-CE2 3.9Å; F193-F218 HydrophobicContact CD2-CE2 3.9Å; F193-F218 HydrophobicContact CD2-CZ 4.31Å; F193-F218 AromaticContact CE2-CE2 3.77Å; F193-F218 HydrophobicContact CE2-CE2 3.77Å; F193-F218 AromaticContact CE2-CZ 3.72Å; F193-F218 HydrophobicContact CE2-CZ 3.72Å; F193-F218 HydrophobicContact CZ-CE2 4.46Å; F193-F218 HydrophobicContact CZ-CZ 4.28Å; L210-F218 HydrophobicContact CD1-CB 3.72Å; L210-F218 HydrophobicContact CD1-CD1 3.55Å; L210-F218 HydrophobicContact CD1-CD2 3.92Å; L210-F218 HydrophobicContact CD1-CE1 4.14Å; L210-F218 HydrophobicContact CD1-CE2 4.46Å; L210-F218 HydrophobicContact CD1-CG 3.43Å; L210-F218 VanDerWaalsContact CD1-CG 3.43Å; F215-F218 HydrophobicContact CD2-CD1 4.49Å; F215-F218 HydrophobicContact CE2-CD1 4.32Å; F215-F218 WeakPolarHBondContact O-CB 3.49Å; F215-F218 PolarHBondContact O-N 3.47Å; F218-K220 VanDerWaalsContact C-N 3.34Å; F218-K220 PolarHBondContact O-N 2.78Å; F218-M221 HydrophobicContact CD2-CE 3.6Å; F218-M221 HydrophobicContact CE2-CE 3.81Å; F218-M221 WeakPolarHBondContact O-CB 3.34Å; F218-M221 PolarHBondContact O-N 2.77Å; F218-A222 PolarHBondContact O-N 3.21Å; F218-A222 VanDerWaalsContact O-N 3.11Å; F218-L229 HydrophobicContact CE1-CD1 3.8Å; F218-L229 HydrophobicContact CE1-CD2 4.2Å; F218-L229 HydrophobicContact CZ-CD2 4.15Å; F218-V237 HydrophobicContact CD1-CG1 4.36Å; F218-V237 HydrophobicContact CE1-CG1 3.89Å; F218-V237 HydrophobicContact CE1-CG2 4.04Å; F218-V237 HydrophobicContact CZ-CG2 4.18Å
219	L	91.7	Very high	89.9	Confident	26 Å²	26	50.2 Å²	50.2	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-54.7	-50.4	174.6	-76.2	-173.2	0	0	0	111.2	F215 M221 A222 D223 L229 E315 L316	F215-L219 HydrophobicContact CD1-CD1 4.24Å; F215-L219 HydrophobicContact CD1-CG 4.39Å; F215-L219 HydrophobicContact CE1-CD1 3.5Å; F215-L219 HydrophobicContact CE1-CD2 4.29Å; F215-L219 HydrophobicContact CE1-CG 3.79Å; F215-L219 HydrophobicContact CE2-CD2 4.12Å; F215-L219 HydrophobicContact CE2-CG 4.11Å; F215-L219 HydrophobicContact CZ-CD1 3.76Å; F215-L219 HydrophobicContact CZ-CD2 3.66Å; F215-L219 HydrophobicContact CZ-CG 3.61Å; F215-L219 PolarHBondContact O-N 3.38Å; L219-M221 VanDerWaalsContact C-N 3.3Å; L219-M221 PolarHBondContact O-N 3.13Å; L219-A222 WeakPolarHBondContact O-CA 3.48Å; L219-A222 WeakPolarHBondContact O-CB 3.49Å; L219-A222 PolarHBondContact O-N 2.92Å; L219-D223 PolarHBondContact O-N 2.66Å; L219-L229 HydrophobicContact CD2-CD1 3.62Å; L219-E315 HydrophobicContact CD1-CB 4.04Å; L219-E315 WeakPolarHBondContact CD1-OE2 3.23Å; L219-L316 HydrophobicContact CD2-CD2 3.91Å
220	K	92.3	Very high	89.2	Confident	129 Å²	129	54.8 Å²	54.8	56%	0.561	27%	0.274	S	S	*	.	H	α-helix	trans	-57	-41.3	178.3	-174.3	-178.5	173.7	-170.6	0	112.7	K216 F218 A222 D223 D224	K216-K220 PolarHBondContact O-N 3.05Å; F218-K220 VanDerWaalsContact C-N 3.34Å; F218-K220 PolarHBondContact O-N 2.78Å; K220-A222 VanDerWaalsContact C-N 3.3Å; K220-A222 PolarHBondContact O-N 3.12Å; K220-D223 PolarHBondContact O-N 2.75Å; K220-D224 WeakPolarHBondContact CE-OD2 3.28Å; K220-D224 VanDerWaalsContact O-CB 3.28Å; K220-D224 WeakPolarHBondContact O-CB 3.29Å; K220-D224 VanDerWaalsContact O-CG 3.29Å; K220-D224 PolarHBondContact O-N 2.78Å
221	M	93.9	Very high	88.5	Confident	12 Å²	12	61.4 Å²	61.4	6%	0.059	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-37.2	175.6	177.6	-167.2	60.6	0	0	112.3	F187 T188 V190 F193 S217 F218 L219 H225	F187-M221 HydrophobicContact CD2-CE 4.19Å; F187-M221 HydrophobicContact CE2-CE 4.25Å; T188-M221 WeakPolarHBondContact CA-SD 2.96Å; V190-M221 HydrophobicContact CG2-CG 4.23Å; V190-M221 HydrophobicContact CG2-SD 4.29Å; F193-M221 HydrophobicContact CB-CE 3.79Å; F193-M221 HydrophobicContact CB-SD 4.26Å; F193-M221 HydrophobicContact CD1-CE 3.75Å; F193-M221 HydrophobicContact CD1-SD 4.46Å; F193-M221 HydrophobicContact CD2-CE 4.12Å; F193-M221 HydrophobicContact CE1-CE 4.35Å; F193-M221 HydrophobicContact CG-CE 3.62Å; S217-M221 PolarHBondContact O-N 3.01Å; F218-M221 HydrophobicContact CD2-CE 3.6Å; F218-M221 HydrophobicContact CE2-CE 3.81Å; F218-M221 WeakPolarHBondContact O-CB 3.34Å; F218-M221 PolarHBondContact O-N 2.77Å; L219-M221 VanDerWaalsContact C-N 3.3Å; L219-M221 PolarHBondContact O-N 3.13Å; M221-H225 PolarHBondContact O-CD2 2.98Å
222	A	91.2	Very high	88.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.6	-42.5	176.9	0	0	0	0	0	111.7	F193 F218 L219 K220 H225 D226 I227 L229	F193-A222 HydrophobicContact CE1-CB 4.01Å; F193-A222 HydrophobicContact CZ-CB 3.97Å; F218-A222 PolarHBondContact O-N 3.21Å; F218-A222 VanDerWaalsContact O-N 3.11Å; L219-A222 WeakPolarHBondContact O-CA 3.48Å; L219-A222 WeakPolarHBondContact O-CB 3.49Å; L219-A222 PolarHBondContact O-N 2.92Å; K220-A222 VanDerWaalsContact C-N 3.3Å; K220-A222 PolarHBondContact O-N 3.12Å; A222-H225 CarbonylContact O-C 3.49Å; A222-H225 PolarHBondContact O-N 3.43Å; A222-D226 PolarHBondContact O-N 2.69Å; A222-I227 PolarHBondContact O-N 2.76Å; A222-L229 HydrophobicContact CB-CD1 4.04Å; A222-L229 HydrophobicContact CB-CD2 4.07Å; A222-L229 HydrophobicContact CB-CG 4Å
223	D	91	Very high	87.9	Confident	115 Å²	115	72.3 Å²	72.3	62%	0.615	35%	0.347	S	S	*	.	H	α-helix	trans	-66.1	-44.1	177.1	-66.4	-30.1	0	0	0	112.3	L219 K220 H225 D226	L219-D223 PolarHBondContact O-N 2.66Å; K220-D223 PolarHBondContact O-N 2.75Å; D223-H225 PolarHBondContact O-N 2.86Å; D223-D226 PolarHBondContact O-N 2.92Å
224	D	90.9	Very high	88.1	Confident	107 Å²	107	72.3 Å²	72.3	57%	0.572	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.9	174.5	-77	-20.5	0	0	0	112.5	K220	K220-D224 WeakPolarHBondContact CE-OD2 3.28Å; K220-D224 VanDerWaalsContact O-CB 3.28Å; K220-D224 WeakPolarHBondContact O-CB 3.29Å; K220-D224 VanDerWaalsContact O-CG 3.29Å; K220-D224 PolarHBondContact O-N 2.78Å
225	H	86.8	Confident	88.3	Confident	76 Å²	76	70.9 Å²	70.9	35%	0.352	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	8.7	176.6	-67.7	-21.9	0	0	0	114.7	V190 M221 A222 D223 I227	V190-H225 WeakPolarHBondContact CG1-NE2 3.46Å; V190-H225 WeakPolarHBondContact CG2-NE2 3.35Å; M221-H225 PolarHBondContact O-CD2 2.98Å; A222-H225 CarbonylContact O-C 3.49Å; A222-H225 PolarHBondContact O-N 3.43Å; D223-H225 PolarHBondContact O-N 2.86Å; H225-I227 HydrophobicContact CB-CD1 3.98Å; H225-I227 HydrophobicContact CB-CG1 4.2Å; H225-I227 PolarHBondContact O-N 2.79Å
226	D	83.4	Confident	88.3	Confident	115 Å²	115	75.4 Å²	75.4	62%	0.615	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	23.7	-176	-160.8	32.2	0	0	0	114.6	A222 D223 K228	A222-D226 PolarHBondContact O-N 2.69Å; D223-D226 PolarHBondContact O-N 2.92Å; D226-K228 VanDerWaalsContact CG-NZ 3.28Å; D226-K228 PolarHBondContact O-N 2.91Å; D226-K228 VanDerWaalsContact O-N 3.12Å; D226-K228 IonicContact OD1-NZ 2.77Å; D226-K228 PolarHBondContact OD1-NZ 3.04Å; D226-K228 IonicContact OD2-NZ 2.78Å; D226-K228 PolarHBondContact OD2-NZ 2.96Å
227	I	83.3	Confident	88.4	Confident	32 Å²	32	69.2 Å²	69.2	16%	0.164	33%	0.33	C	S	.	.			trans	-86.1	88.3	-179.9	-65.1	169	0	0	0	108.6	F193 V197 A222 H225 L229 L232	F193-I227 HydrophobicContact CD1-CD1 4.01Å; F193-I227 HydrophobicContact CE1-CB 4.02Å; F193-I227 HydrophobicContact CE1-CD1 3.55Å; F193-I227 HydrophobicContact CE1-CG1 4.37Å; F193-I227 HydrophobicContact CE1-CG2 3.91Å; F193-I227 HydrophobicContact CZ-CB 4.31Å; F193-I227 HydrophobicContact CZ-CD1 4.4Å; F193-I227 HydrophobicContact CZ-CG2 3.74Å; V197-I227 HydrophobicContact CG1-CG2 4.49Å; V197-I227 HydrophobicContact CG2-CD1 4.48Å; V197-I227 HydrophobicContact CG2-CG2 4Å; A222-I227 PolarHBondContact O-N 2.76Å; H225-I227 HydrophobicContact CB-CD1 3.98Å; H225-I227 HydrophobicContact CB-CG1 4.2Å; H225-I227 PolarHBondContact O-N 2.79Å; I227-L229 PolarHBondContact O-N 2.8Å; I227-L232 HydrophobicContact CG2-CD1 3.95Å
228	K	82.8	Confident	88.5	Confident	100 Å²	100	68.1 Å²	68.1	44%	0.435	32%	0.316	S	S	.	.			trans	-67.4	91.2	178.9	-63.6	179.8	179.2	74.7	0	110.6	D226 Q230 Q231	D226-K228 VanDerWaalsContact CG-NZ 3.28Å; D226-K228 PolarHBondContact O-N 2.91Å; D226-K228 VanDerWaalsContact O-N 3.12Å; D226-K228 IonicContact OD1-NZ 2.77Å; D226-K228 PolarHBondContact OD1-NZ 3.04Å; D226-K228 IonicContact OD2-NZ 2.78Å; D226-K228 PolarHBondContact OD2-NZ 2.96Å; K228-Q230 PolarHBondContact O-N 2.71Å; K228-Q231 HydrophobicContact CB-CG 3.97Å; K228-Q231 WeakPolarHBondContact O-CB 3.38Å; K228-Q231 PolarHBondContact O-N 2.97Å
229	L	82.9	Confident	88.5	Confident	22 Å²	22	68 Å²	68	12%	0.115	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-47.9	-38.1	-177.5	-62.3	172	0	0	0	113.2	F193 F218 L219 A222 I227 Q231 L232 M235 L316	F193-L229 HydrophobicContact CE2-CD2 4.24Å; F193-L229 HydrophobicContact CZ-CD2 3.84Å; F218-L229 HydrophobicContact CE1-CD1 3.8Å; F218-L229 HydrophobicContact CE1-CD2 4.2Å; F218-L229 HydrophobicContact CZ-CD2 4.15Å; L219-L229 HydrophobicContact CD2-CD1 3.62Å; A222-L229 HydrophobicContact CB-CD1 4.04Å; A222-L229 HydrophobicContact CB-CD2 4.07Å; A222-L229 HydrophobicContact CB-CG 4Å; I227-L229 PolarHBondContact O-N 2.8Å; L229-Q231 PolarHBondContact O-N 3.23Å; L229-L232 PolarHBondContact O-N 3.02Å; L229-L232 VanDerWaalsContact O-N 3.12Å; L229-M235 HydrophobicContact CD2-CE 3.45Å; L229-M235 VanDerWaalsContact CD2-CE 3.45Å; L229-L316 HydrophobicContact CB-CD2 4.03Å; L229-L316 HydrophobicContact CD1-CD2 3.59Å; L229-L316 HydrophobicContact CG-CD2 4.47Å
230	Q	79.7	Confident	88.6	Confident	98 Å²	98	67 Å²	67	46%	0.458	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.1	177	-65.8	-175.1	0.1	0	0	114.7	K228 G317 T318	K228-Q230 PolarHBondContact O-N 2.71Å; Q230-G317 PolarHBondContact NE2-O 3.01Å; Q230-T318 HydrophobicContact CB-CG2 3.86Å; Q230-T318 HydrophobicContact CG-CG2 4.12Å
231	Q	82.5	Confident	88.6	Confident	142 Å²	142	63.1 Å²	63.1	66%	0.664	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-85.2	-19	178.3	-61.4	-175.1	-17.5	0	0	112.7	K228 L229 R233	K228-Q231 HydrophobicContact CB-CG 3.97Å; K228-Q231 WeakPolarHBondContact O-CB 3.38Å; K228-Q231 PolarHBondContact O-N 2.97Å; L229-Q231 PolarHBondContact O-N 3.23Å; Q231-R233 VanDerWaalsContact C-N 3.34Å; Q231-R233 PolarHBondContact O-N 3.41Å
232	L	85.1	Confident	88.4	Confident	27 Å²	27	62.9 Å²	62.9	14%	0.141	29%	0.294	C	S	.	.			trans	-80.5	78.8	-177.3	-61.5	176.4	0	0	0	110.4	V197 I227 L229 N234 M235	V197-L232 HydrophobicContact CG1-CD1 4.22Å; V197-L232 HydrophobicContact CG1-CD2 4.18Å; V197-L232 HydrophobicContact CG2-CD1 4.02Å; I227-L232 HydrophobicContact CG2-CD1 3.95Å; L229-L232 PolarHBondContact O-N 3.02Å; L229-L232 VanDerWaalsContact O-N 3.12Å; L232-N234 PolarHBondContact O-N 2.94Å; L232-M235 HydrophobicContact CB-CB 4.01Å; L232-M235 HydrophobicContact CD1-CE 3.56Å; L232-M235 HydrophobicContact CD1-SD 4.44Å; L232-M235 PolarHBondContact O-N 2.61Å
233	R	85.9	Confident	88.3	Confident	209 Å²	209	67.5 Å²	67.5	79%	0.789	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-31.4	-177.6	-66.1	-174.9	178.2	-169.3	-1.8	114.2	L137 Q231	L137-R233 VanDerWaalsContact CD2-O 3.24Å; L137-R233 WeakPolarHBondContact CD2-O 3.44Å; Q231-R233 VanDerWaalsContact C-N 3.34Å; Q231-R233 PolarHBondContact O-N 3.41Å
234	N	90.9	Very high	88.2	Confident	61 Å²	61	65.8 Å²	65.8	33%	0.326	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	16	-179.5	-56.3	-24.1	0	0	0	113.1	L137 S200 V206 L232	L137-N234 WeakPolarHBondContact CD1-O 3.43Å; S200-N234 WeakPolarHBondContact O-CB 3.5Å; S200-N234 PolarHBondContact O-ND2 2.98Å; V206-N234 PolarHBondContact N-O 2.91Å; L232-N234 PolarHBondContact O-N 2.94Å
235	M	92.9	Very high	88.1	Confident	9 Å²	9	63.8 Å²	63.8	4%	0.044	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128	175.2	-169.9	167.5	81	0	0	111.9	F193 I196 V206 V208 L229 L232 V237	F193-M235 HydrophobicContact CE2-CE 4.2Å; I196-M235 HydrophobicContact CG2-SD 3.98Å; V206-M235 HydrophobicContact CB-CB 4.18Å; V206-M235 HydrophobicContact CB-CG 3.87Å; V206-M235 HydrophobicContact CB-SD 4.46Å; V206-M235 HydrophobicContact CG1-CG 3.85Å; V206-M235 HydrophobicContact CG1-SD 4.08Å; V206-M235 CarbonylContact O-C 3.6Å; V206-M235 VanDerWaalsContact O-CA 3.3Å; V206-M235 WeakPolarHBondContact O-CA 3.45Å; V208-M235 HydrophobicContact CG2-CG 4.36Å; V208-M235 HydrophobicContact CG2-SD 4.36Å; L229-M235 HydrophobicContact CD2-CE 3.45Å; L229-M235 VanDerWaalsContact CD2-CE 3.45Å; L232-M235 HydrophobicContact CB-CB 4.01Å; L232-M235 HydrophobicContact CD1-CE 3.56Å; L232-M235 HydrophobicContact CD1-SD 4.44Å; L232-M235 PolarHBondContact O-N 2.61Å; M235-V237 HydrophobicContact CE-CG2 3.99Å; M235-V237 HydrophobicContact CG-CG2 4.37Å
236	R	91.7	Very high	88.2	Confident	97 Å²	97	65.9 Å²	65.9	37%	0.366	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.8	168.3	-61.8	-47.9	-172.9	-157.4	3.7	110.1	D136 L137 V206 Y207 V208	D136-R236 IonicContact OD1-NE 3.25Å; D136-R236 IonicContact OD2-CZ 3.09Å; D136-R236 IonicContact OD2-NE 2.93Å; D136-R236 PolarHBondContact OD2-NE 3.41Å; D136-R236 IonicContact OD2-NH2 2.96Å; D136-R236 PolarHBondContact OD2-NH2 2.99Å; L137-R236 HydrophobicContact CD1-CG 3.87Å; L137-R236 HydrophobicContact CD2-CG 4.49Å; L137-R236 HydrophobicContact CG-CG 4.01Å; V206-R236 PolarHBondContact O-N 3.49Å; Y207-R236 CarbonylContact C-O 3.57Å; Y207-R236 HydrophobicContact CD1-CB 4.1Å; Y207-R236 HydrophobicContact CD1-CG 4.29Å; Y207-R236 HydrophobicContact CE1-CG 4.39Å; V208-R236 PolarHBondContact N-O 2.78Å
237	V	93	Very high	88.4	Confident	13 Å²	13	61 Å²	61	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.3	168.7	-172.5	0	0	0	0	108	V208 L210 F215 F218 M235 L316	V208-V237 HydrophobicContact CB-CG1 4.36Å; V208-V237 HydrophobicContact CB-CG2 4.17Å; V208-V237 HydrophobicContact CG2-CG2 4.25Å; V208-V237 WeakPolarHBondContact O-CA 3.23Å; L210-V237 HydrophobicContact CD1-CG1 3.91Å; L210-V237 HydrophobicContact CG-CG1 4.39Å; F215-V237 HydrophobicContact CE2-CG1 3.95Å; F218-V237 HydrophobicContact CD1-CG1 4.36Å; F218-V237 HydrophobicContact CE1-CG1 3.89Å; F218-V237 HydrophobicContact CE1-CG2 4.04Å; F218-V237 HydrophobicContact CZ-CG2 4.18Å; M235-V237 HydrophobicContact CE-CG2 3.99Å; M235-V237 HydrophobicContact CG-CG2 4.37Å; V237-L316 HydrophobicContact CB-CD1 3.8Å; V237-L316 HydrophobicContact CG1-CD1 4.14Å; V237-L316 VanDerWaalsContact O-CD1 3.27Å; V237-L316 WeakPolarHBondContact O-CD1 3.48Å
238	R	93.1	Very high	88.5	Confident	38 Å²	38	68.7 Å²	68.7	14%	0.143	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.3	179.6	-56.8	177	67.2	118.6	-3.9	108.9	V208 L209 L210 Y307 S310 I311 V312	V208-R238 PolarHBondContact O-N 2.98Å; L209-R238 WeakPolarHBondContact CA-O 3.37Å; L209-R238 HydrophobicContact CD2-CB 3.87Å; L210-R238 PolarHBondContact N-O 3.04Å; R238-Y307 VanDerWaalsContact CD-CE2 3.43Å; R238-S310 WeakPolarHBondContact CD-OG 3.37Å; R238-S310 PolarHBondContact NE-OG 3.21Å; R238-S310 PolarHBondContact NH2-O 3.42Å; R238-I311 WeakPolarHBondContact CA-O 3.35Å; R238-V312 HydrophobicContact CG-CG2 4.27Å
239	T	93.8	Very high	88.4	Confident	1 Å²	1	66 Å²	66	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	150.8	176	63.9	0	0	0	0	112.2	L210 D212 F215 S310 I311 R313	L210-T239 CarbonylContact O-C 3.5Å; L210-T239 VanDerWaalsContact O-CA 3.23Å; L210-T239 WeakPolarHBondContact O-CA 3.27Å; D212-T239 WeakPolarHBondContact OD1-CB 3.3Å; D212-T239 PolarHBondContact OD1-OG1 2.99Å; F215-T239 HydrophobicContact CB-CG2 3.58Å; F215-T239 HydrophobicContact CD1-CG2 3.86Å; F215-T239 HydrophobicContact CD2-CG2 3.51Å; F215-T239 HydrophobicContact CE1-CG2 4.44Å; F215-T239 HydrophobicContact CE2-CG2 4.16Å; F215-T239 HydrophobicContact CG-CG2 3.34Å; T239-S310 CarbonylContact O-C 3.47Å; T239-S310 VanDerWaalsContact O-CA 3.23Å; T239-S310 WeakPolarHBondContact O-CA 3.42Å; T239-S310 WeakPolarHBondContact O-CB 3.2Å; T239-I311 PolarHBondContact N-O 3.33Å; T239-I311 PolarHBondContact O-N 3.12Å; T239-R313 HydrophobicContact CG2-CG 3.76Å; T239-R313 PolarHBondContact OG1-NE 3.47Å
240	V	93.5	Very high	88.4	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.3	175.8	179.3	0	0	0	0	108	L209 L210 D212 M257 L306 R309	L209-V240 HydrophobicContact CB-CG2 4.2Å; L209-V240 HydrophobicContact CD1-CG2 4.38Å; L209-V240 HydrophobicContact CD2-CG2 4.37Å; L210-V240 PolarHBondContact O-N 3.49Å; D212-V240 PolarHBondContact N-O 3Å; V240-M257 HydrophobicContact CB-CB 4.27Å; V240-M257 HydrophobicContact CB-CG 4.28Å; V240-M257 HydrophobicContact CB-SD 3.62Å; V240-M257 HydrophobicContact CG1-CB 4.23Å; V240-M257 HydrophobicContact CG1-CG 4.12Å; V240-M257 HydrophobicContact CG1-SD 3.94Å; V240-M257 HydrophobicContact CG2-SD 3.93Å; V240-L306 HydrophobicContact CG1-CD2 4.43Å; V240-R309 HydrophobicContact CG1-CG 4.35Å
241	K	91.6	Very high	88.8	Confident	48 Å²	48	61.9 Å²	61.9	21%	0.209	30%	0.298	C	S	.	.			trans	-87.9	146.7	165.8	-67.6	178.3	179.4	-67.7	0	109.5	D212 H254 R309	D212-K241 HydrophobicContact CB-CG 3.75Å; D212-K241 VanDerWaalsContact OD2-CE 3.27Å; D212-K241 WeakPolarHBondContact OD2-CE 3.41Å; D212-K241 IonicContact OD2-NZ 3.15Å; D212-K241 PolarHBondContact OD2-NZ 3.4Å; K241-H254 HydrophobicContact CB-CB 4.44Å; K241-H254 PolarHBondContact NZ-CD2 3.44Å; K241-H254 PolarHBondContact NZ-NE2 3.27Å; K241-R309 PolarHBondContact O-NE 3.45Å
242	G	89.8	Confident	89.2	Confident	7 Å²	7	57.9 Å²	57.9	7%	0.072	28%	0.278	C	S	.	.			trans	-65.6	-169.4	168.2	0	0	0	0	0	112.6	G255 R309	G242-G255 VanDerWaalsContact CA-O 3.27Å; G242-G255 WeakPolarHBondContact CA-O 3.44Å; G242-G255 PolarHBondContact N-O 3.04Å; G242-R309 PolarHBondContact O-NH2 3.1Å
243	P	89.5	Confident	89.4	Confident	98 Å²	98	57.6 Å²	57.6	64%	0.636	28%	0.276	S	S	*	.			trans	-62.7	145.1	177.3	27.5	-34.5	0	0	0	111.4	H254 G255	P243-H254 CarbonylContact O-C 3.57Å; P243-H254 WeakPolarHBondContact O-CA 3.47Å; P243-G255 PolarHBondContact O-N 3.11Å
244	D	89.4	Confident	89.7	Confident	78 Å²	78	48.4 Å²	48.4	42%	0.417	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	134	172.9	-73.9	-37.3	0	0	0	110	K252	D244-K252 WeakPolarHBondContact OD1-CE 3.48Å; D244-K252 IonicContact OD1-NZ 2.67Å; D244-K252 PolarHBondContact OD1-NZ 2.9Å; D244-K252 WeakPolarHBondContact OD2-CE 3.45Å; D244-K252 IonicContact OD2-NZ 2.68Å; D244-K252 PolarHBondContact OD2-NZ 3.12Å
245	Y	88.8	Confident	89.6	Confident	65 Å²	65	46.7 Å²	46.7	26%	0.255	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.3	168.3	-172.3	-80.9	0	0	0	109.6	R59 I62 K252 F253	R59-Y245 VanDerWaalsContact CG-OH 3.3Å; R59-Y245 WeakPolarHBondContact CG-OH 3.34Å; I62-Y245 HydrophobicContact CD1-CE2 4.42Å; I62-Y245 HydrophobicContact CG2-CE1 3.74Å; Y245-K252 WeakPolarHBondContact O-CA 3.36Å; Y245-F253 VanDerWaalsContact CB-CE2 3.49Å; Y245-F253 VanDerWaalsContact CB-CZ 3.42Å; Y245-F253 HydrophobicContact CD1-CD1 4.19Å; Y245-F253 AromaticContact CD1-CE1 3.24Å; Y245-F253 HydrophobicContact CD1-CE1 3.24Å; Y245-F253 HydrophobicContact CD1-CE2 4.25Å; Y245-F253 AromaticContact CD1-CZ 3.28Å; Y245-F253 HydrophobicContact CD1-CZ 3.28Å; Y245-F253 HydrophobicContact CD2-CZ 4.08Å; Y245-F253 AromaticContact CE1-CE1 3.92Å; Y245-F253 HydrophobicContact CE1-CE1 3.92Å; Y245-F253 AromaticContact CE1-CZ 3.98Å; Y245-F253 HydrophobicContact CE1-CZ 3.98Å; Y245-F253 AromaticContact CG-CE1 3.78Å; Y245-F253 HydrophobicContact CG-CE1 3.78Å; Y245-F253 AromaticContact CG-CE2 3.9Å; Y245-F253 HydrophobicContact CG-CE2 3.9Å; Y245-F253 AromaticContact CG-CZ 3.32Å; Y245-F253 HydrophobicContact CG-CZ 3.32Å; Y245-F253 PolarHBondContact N-O 3.5Å; Y245-F253 PolarHBondContact O-N 2.85Å
246	L	88.6	Confident	89.6	Confident	121 Å²	121	48.2 Å²	48.2	63%	0.634	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.8	-174.8	-72.1	159.8	0	0	0	109.7	K252	L246-K252 HydrophobicContact CD2-CB 4.29Å; L246-K252 HydrophobicContact CD2-CD 4.28Å; L246-K252 HydrophobicContact CD2-CG 3.91Å
247	C	87.9	Confident	89.6	Confident	11 Å²	11	44 Å²	44	7%	0.074	24%	0.237	C	C	.	.			trans	-89.8	157.7	-178.1	-49.1	0	0	0	0	111	I66 S249 G250 A251	I66-C247 WeakPolarHBondContact CD1-SG 3.35Å; C247-S249 WeakPolarHBondContact CB-OG 3.46Å; C247-S249 PolarHBondContact O-N 3.18Å; C247-S249 VanDerWaalsContact O-N 3.12Å; C247-G250 PolarHBondContact O-N 3.1Å; C247-A251 HydrophobicContact CB-CB 4.2Å; C247-A251 VanDerWaalsContact CB-O 3.31Å; C247-A251 WeakPolarHBondContact CB-O 3.49Å; C247-A251 PolarHBondContact N-O 2.98Å; C247-A251 PolarHBondContact SG-O 2.74Å
248	R	84.2	Confident	89.5	Confident	194 Å²	194	51 Å²	51	73%	0.732	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.7	176.3	-173.3	175.7	170.9	-167.9	-2.2	112.8	D63 G250	D63-R248 PolarHBondContact OD1-N 2.88Å; D63-R248 VanDerWaalsContact OD2-CB 3.22Å; D63-R248 WeakPolarHBondContact OD2-CB 3.3Å; R248-G250 VanDerWaalsContact C-N 3.26Å
249	S	82	Confident	89.6	Confident	45 Å²	45	52.7 Å²	52.7	32%	0.315	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.3	171	49.1	0	0	0	0	114.5	C247 A251	C247-S249 WeakPolarHBondContact CB-OG 3.46Å; C247-S249 PolarHBondContact O-N 3.18Å; C247-S249 VanDerWaalsContact O-N 3.12Å; S249-A251 PolarHBondContact O-N 2.74Å; S249-A251 VanDerWaalsContact OG-CB 3.26Å; S249-A251 WeakPolarHBondContact OG-CB 3.46Å; S249-A251 PolarHBondContact OG-N 3.19Å
250	G	83.4	Confident	89.7	Confident	32 Å²	32	54.1 Å²	54.1	33%	0.33	29%	0.285	S	S	.	.	S	Bend	trans	75.7	0.3	-165.9	0	0	0	0	0	113.6	L101 C247 R248	L101-G250 WeakPolarHBondContact CD1-O 3.14Å; C247-G250 PolarHBondContact O-N 3.1Å; R248-G250 VanDerWaalsContact C-N 3.26Å
251	A	87.3	Confident	89.8	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.284	C	S	.	.			trans	-69.5	140.9	170.4	0	0	0	0	0	110.8	I66 V98 C247 S249	I66-A251 HydrophobicContact CG2-CB 3.69Å; V98-A251 HydrophobicContact CG1-CB 3.85Å; C247-A251 HydrophobicContact CB-CB 4.2Å; C247-A251 VanDerWaalsContact CB-O 3.31Å; C247-A251 WeakPolarHBondContact CB-O 3.49Å; C247-A251 PolarHBondContact N-O 2.98Å; C247-A251 PolarHBondContact SG-O 2.74Å; S249-A251 PolarHBondContact O-N 2.74Å; S249-A251 VanDerWaalsContact OG-CB 3.26Å; S249-A251 WeakPolarHBondContact OG-CB 3.46Å; S249-A251 PolarHBondContact OG-N 3.19Å
252	K	90.8	Very high	90.1	Very high	58 Å²	58	52 Å²	52	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.3	-177.2	-167.8	-170.3	-178	-157.8	0	110.3	V98 E99 D244 Y245 L246	V98-K252 CarbonylContact C-O 3.59Å; V98-K252 WeakPolarHBondContact CA-O 3.29Å; E99-K252 PolarHBondContact N-O 3.33Å; E99-K252 PolarHBondContact O-N 2.77Å; D244-K252 WeakPolarHBondContact OD1-CE 3.48Å; D244-K252 IonicContact OD1-NZ 2.67Å; D244-K252 PolarHBondContact OD1-NZ 2.9Å; D244-K252 WeakPolarHBondContact OD2-CE 3.45Å; D244-K252 IonicContact OD2-NZ 2.68Å; D244-K252 PolarHBondContact OD2-NZ 3.12Å; Y245-K252 WeakPolarHBondContact O-CA 3.36Å; L246-K252 HydrophobicContact CD2-CB 4.29Å; L246-K252 HydrophobicContact CD2-CD 4.28Å; L246-K252 HydrophobicContact CD2-CG 3.91Å
253	F	90.2	Very high	90.4	Very high	20 Å²	20	51.7 Å²	51.7	9%	0.088	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	168.3	162.4	59.8	-91.1	0	0	0	108.8	I62 I66 L94 N97 V98 Y245	I62-F253 HydrophobicContact CG2-CE1 4.33Å; I66-F253 HydrophobicContact CD1-CD1 4.02Å; I66-F253 HydrophobicContact CD1-CE1 3.69Å; L94-F253 HydrophobicContact CD2-CD1 4.04Å; L94-F253 HydrophobicContact CD2-CD2 3.72Å; L94-F253 HydrophobicContact CD2-CE1 3.62Å; L94-F253 HydrophobicContact CD2-CE2 3.27Å; L94-F253 HydrophobicContact CD2-CG 4.09Å; L94-F253 HydrophobicContact CD2-CZ 3.22Å; N97-F253 WeakPolarHBondContact O-CB 3.45Å; V98-F253 HydrophobicContact CG2-CB 4.41Å; V98-F253 HydrophobicContact CG2-CD1 4.05Å; Y245-F253 VanDerWaalsContact CB-CE2 3.49Å; Y245-F253 VanDerWaalsContact CB-CZ 3.42Å; Y245-F253 HydrophobicContact CD1-CD1 4.19Å; Y245-F253 AromaticContact CD1-CE1 3.24Å; Y245-F253 HydrophobicContact CD1-CE1 3.24Å; Y245-F253 HydrophobicContact CD1-CE2 4.25Å; Y245-F253 AromaticContact CD1-CZ 3.28Å; Y245-F253 HydrophobicContact CD1-CZ 3.28Å; Y245-F253 HydrophobicContact CD2-CZ 4.08Å; Y245-F253 AromaticContact CE1-CE1 3.92Å; Y245-F253 HydrophobicContact CE1-CE1 3.92Å; Y245-F253 AromaticContact CE1-CZ 3.98Å; Y245-F253 HydrophobicContact CE1-CZ 3.98Å; Y245-F253 AromaticContact CG-CE1 3.78Å; Y245-F253 HydrophobicContact CG-CE1 3.78Å; Y245-F253 AromaticContact CG-CE2 3.9Å; Y245-F253 HydrophobicContact CG-CE2 3.9Å; Y245-F253 AromaticContact CG-CZ 3.32Å; Y245-F253 HydrophobicContact CG-CZ 3.32Å; Y245-F253 PolarHBondContact N-O 3.5Å; Y245-F253 PolarHBondContact O-N 2.85Å
254	H	90.9	Very high	90.6	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.6	176.9	59.9	76.7	0	0	0	111.5	D213 K241 P243	D213-H254 IonicContact OD1-CE1 2.74Å; K241-H254 HydrophobicContact CB-CB 4.44Å; K241-H254 PolarHBondContact NZ-CD2 3.44Å; K241-H254 PolarHBondContact NZ-NE2 3.27Å; P243-H254 CarbonylContact O-C 3.57Å; P243-H254 WeakPolarHBondContact O-CA 3.47Å
255	G	90.1	Very high	90.8	Very high	24 Å²	24	44.8 Å²	44.8	25%	0.247	23%	0.23	C	C	.	.			trans	-72.7	172.7	166.7	0	0	0	0	0	112.9	G242 P243	G242-G255 VanDerWaalsContact CA-O 3.27Å; G242-G255 WeakPolarHBondContact CA-O 3.44Å; G242-G255 PolarHBondContact N-O 3.04Å; P243-G255 PolarHBondContact O-N 3.11Å
256	A	91.1	Very high	90.8	Very high	42 Å²	42	42.5 Å²	42.5	35%	0.347	22%	0.223	S	C	.	.			trans	-91.1	165.2	170.3	0	0	0	0	0	111.9	D211	D211-A256 VanDerWaalsContact OD1-CA 3.28Å; D211-A256 WeakPolarHBondContact OD1-CA 3.33Å; D211-A256 WeakPolarHBondContact OD1-CB 3.38Å
257	M	93.3	Very high	90.9	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.044	21%	0.212	C	C	.	.			trans	-93.9	89.9	169.5	-173.9	-160.7	70.9	0	0	110.6	V183 M184 D211 V240 Q259	V183-M257 HydrophobicContact CG1-CE 3.59Å; V183-M257 HydrophobicContact CG1-SD 3.59Å; V183-M257 VanDerWaalsContact CG1-SD 3.59Å; M184-M257 VanDerWaalsContact O-CE 3.3Å; M184-M257 WeakPolarHBondContact O-CE 3.44Å; D211-M257 HydrophobicContact CB-CB 4.21Å; D211-M257 PolarHBondContact OD1-N 3.11Å; V240-M257 HydrophobicContact CB-CB 4.27Å; V240-M257 HydrophobicContact CB-CG 4.28Å; V240-M257 HydrophobicContact CB-SD 3.62Å; V240-M257 HydrophobicContact CG1-CB 4.23Å; V240-M257 HydrophobicContact CG1-CG 4.12Å; V240-M257 HydrophobicContact CG1-SD 3.94Å; V240-M257 HydrophobicContact CG2-SD 3.93Å; M257-Q259 VanDerWaalsContact C-N 3.27Å; M257-Q259 HydrophobicContact CG-CB 4.49Å; M257-Q259 PolarHBondContact O-N 3.38Å
258	E	91.1	Very high	91.2	Very high	160 Å²	160	41.3 Å²	41.3	75%	0.748	21%	0.214	S	C	*	.			trans	-77.4	-7.7	179.7	-58.8	-161.6	137.4	0	0	114.8	K260	E258-K260 WeakPolarHBondContact O-CE 3.4Å
259	Q	93.6	Very high	91.7	Very high	73 Å²	73	32 Å²	32	34%	0.341	18%	0.18	S	C	.	.			trans	-64.6	137.6	-179.7	-69.7	-161.4	29.3	0	0	112	V183 M257 E302	V183-Q259 HydrophobicContact CG1-CB 4.08Å; M257-Q259 VanDerWaalsContact C-N 3.27Å; M257-Q259 HydrophobicContact CG-CB 4.49Å; M257-Q259 PolarHBondContact O-N 3.38Å; Q259-E302 PolarHBondContact NE2-OE1 3.37Å; Q259-E302 PolarHBondContact OE1-OE1 2.94Å
260	K	95.8	Very high	92.4	Very high	30 Å²	30	30.3 Å²	30.3	13%	0.13	17%	0.167	C	C	.	.			trans	-136.6	101.2	-176.4	-85.2	174.3	-87.7	-148.4	0	111.1	V183 M184 D185 E258 Y271 G272 S273 S275	V183-K260 WeakPolarHBondContact O-CA 3.43Å; M184-K260 HydrophobicContact CE-CG 4.33Å; M184-K260 HydrophobicContact SD-CD 4.23Å; M184-K260 HydrophobicContact SD-CG 3.87Å; D185-K260 WeakPolarHBondContact OD1-CD 3.48Å; D185-K260 IonicContact OD1-NZ 2.71Å; D185-K260 WeakPolarHBondContact OD2-CE 3.38Å; D185-K260 IonicContact OD2-NZ 2.62Å; D185-K260 PolarHBondContact OD2-NZ 3.02Å; E258-K260 WeakPolarHBondContact O-CE 3.4Å; K260-Y271 VanDerWaalsContact O-CD2 3.22Å; K260-Y271 WeakPolarHBondContact O-CD2 3.3Å; K260-G272 VanDerWaalsContact CB-O 3.25Å; K260-G272 WeakPolarHBondContact CB-O 3.37Å; K260-G272 PolarHBondContact O-N 3.39Å; K260-S273 PolarHBondContact NZ-O 3.38Å; K260-S275 PolarHBondContact NZ-OG 3.46Å; K260-S275 VanDerWaalsContact NZ-OG 3.13Å
261	F	96.9	Very high	93.1	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.7	169.2	66.1	-89	0	0	0	114.1	V183 L263 I270 Y271 Y299 E302 F303 L306	V183-F261 HydrophobicContact CB-CD1 3.95Å; V183-F261 HydrophobicContact CB-CE1 3.94Å; V183-F261 HydrophobicContact CB-CG 4.33Å; V183-F261 HydrophobicContact CB-CZ 4.31Å; V183-F261 HydrophobicContact CG1-CD1 4.4Å; V183-F261 HydrophobicContact CG1-CE1 4.21Å; V183-F261 HydrophobicContact CG2-CD1 4.1Å; V183-F261 HydrophobicContact CG2-CD2 4.27Å; V183-F261 HydrophobicContact CG2-CE1 3.67Å; V183-F261 HydrophobicContact CG2-CE2 3.86Å; V183-F261 HydrophobicContact CG2-CG 4.39Å; V183-F261 HydrophobicContact CG2-CZ 3.55Å; V183-F261 PolarHBondContact N-O 3.22Å; V183-F261 PolarHBondContact O-N 3.29Å; V183-F261 VanDerWaalsContact O-O 3.11Å; F261-L263 HydrophobicContact CD2-CB 4.43Å; F261-I270 CarbonylContact C-O 3.55Å; F261-I270 WeakPolarHBondContact CA-O 3.48Å; F261-I270 WeakPolarHBondContact CB-O 3.32Å; F261-Y271 HydrophobicContact CB-CD2 4.22Å; F261-Y299 HydrophobicContact CB-CD1 4.21Å; F261-Y299 HydrophobicContact CB-CE1 4.31Å; F261-Y299 HydrophobicContact CD1-CD1 4.15Å; F261-Y299 HydrophobicContact CD1-CE1 4.49Å; F261-Y299 AromaticContact CD2-CD1 3.85Å; F261-Y299 HydrophobicContact CD2-CD1 3.85Å; F261-Y299 HydrophobicContact CE1-CD1 4.42Å; F261-Y299 HydrophobicContact CE2-CD1 4.14Å; F261-Y299 WeakPolarHBondContact CE2-O 3.37Å; F261-Y299 AromaticContact CG-CD1 3.84Å; F261-Y299 HydrophobicContact CG-CD1 3.84Å; F261-Y299 HydrophobicContact CG-CE1 4.31Å; F261-Y299 HydrophobicContact CZ-CD1 4.41Å; F261-E302 HydrophobicContact CE1-CG 4.18Å; F261-E302 HydrophobicContact CZ-CB 4.35Å; F261-E302 HydrophobicContact CZ-CG 4.3Å; F261-F303 HydrophobicContact CE2-CB 4.08Å; F261-F303 HydrophobicContact CE2-CD2 4.28Å; F261-F303 HydrophobicContact CZ-CB 4.1Å; F261-F303 HydrophobicContact CZ-CD2 4.43Å; F261-L306 HydrophobicContact CE1-CD1 4.11Å; F261-L306 HydrophobicContact CZ-CD1 4.4Å
262	L	97.1	Very high	93.5	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	111.9	177.7	163.1	60.7	0	0	0	108.1	I169 I173 I180 A181 I182 I264 A269 I270 F276	I169-L262 HydrophobicContact CG2-CD2 3.91Å; I173-L262 HydrophobicContact CD1-CD2 4.13Å; I173-L262 HydrophobicContact CG1-CD2 4.16Å; I180-L262 HydrophobicContact CG2-CD1 3.81Å; A181-L262 CarbonylContact O-C 3.37Å; A181-L262 WeakPolarHBondContact O-CA 3.31Å; I182-L262 HydrophobicContact CG1-CD1 3.69Å; L262-I264 HydrophobicContact CD1-CD1 3.79Å; L262-I264 HydrophobicContact CD1-CG1 3.7Å; L262-I264 HydrophobicContact CD2-CD1 3.9Å; L262-I264 HydrophobicContact CG-CD1 3.74Å; L262-I264 HydrophobicContact CG-CG1 3.99Å; L262-A269 CarbonylContact O-C 3.59Å; L262-A269 WeakPolarHBondContact O-CA 3.21Å; L262-I270 HydrophobicContact CB-CB 4.23Å; L262-I270 HydrophobicContact CD2-CD1 4.28Å; L262-I270 PolarHBondContact N-O 3.38Å; L262-I270 PolarHBondContact O-N 2.86Å; L262-F276 HydrophobicContact CD2-CZ 4.37Å
263	L	95.9	Very high	93.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.3	178.4	176.9	66.8	0	0	0	108.8	W139 A181 F261 A269 V296 D300 F303	W139-L263 HydrophobicContact CH2-CD2 4.19Å; W139-L263 HydrophobicContact CZ2-CD2 3.84Å; A181-L263 HydrophobicContact CB-CB 4.15Å; A181-L263 PolarHBondContact N-O 3.3Å; A181-L263 PolarHBondContact O-N 3.16Å; F261-L263 HydrophobicContact CD2-CB 4.43Å; L263-A269 HydrophobicContact CD1-CB 4.26Å; L263-V296 HydrophobicContact CD1-CG1 3.41Å; L263-V296 VanDerWaalsContact CD1-CG1 3.41Å; L263-D300 HydrophobicContact CD2-CB 4.11Å; L263-F303 HydrophobicContact CD2-CB 4.48Å
264	I	95	Very high	93.9	Very high	9 Å²	9	33.2 Å²	33.2	5%	0.046	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.7	-174.8	-70.9	171.5	0	0	0	109.7	H172 I173 A176 L262 C266 H267 T268	H172-I264 HydrophobicContact CB-CD1 3.55Å; I173-I264 HydrophobicContact CG1-CD1 4.26Å; A176-I264 HydrophobicContact CB-CG2 3.66Å; L262-I264 HydrophobicContact CD1-CD1 3.79Å; L262-I264 HydrophobicContact CD1-CG1 3.7Å; L262-I264 HydrophobicContact CD2-CD1 3.9Å; L262-I264 HydrophobicContact CG-CD1 3.74Å; L262-I264 HydrophobicContact CG-CG1 3.99Å; I264-C266 PolarHBondContact O-N 3.32Å; I264-H267 PolarHBondContact O-N 2.78Å; I264-T268 PolarHBondContact N-O 3.2Å; I264-T268 PolarHBondContact O-N 2.7Å; I264-T268 VanDerWaalsContact O-N 3.11Å
265	D	92.3	Very high	94.2	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.123	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	13.8	-178.2	-66.7	-26.6	0	0	0	114.9	R177 T178 V179 H267	R177-D265 PolarHBondContact N-OD1 3.3Å; R177-D265 PolarHBondContact N-OD2 3.14Å; T178-D265 VanDerWaalsContact CA-OD1 3.3Å; T178-D265 WeakPolarHBondContact CA-OD1 3.44Å; T178-D265 WeakPolarHBondContact CB-OD1 3.49Å; T178-D265 PolarHBondContact N-OD1 3.4Å; T178-D265 WeakPolarHBondContact OG1-CA 3.48Å; T178-D265 WeakPolarHBondContact OG1-CB 3.49Å; T178-D265 PolarHBondContact OG1-OD1 3.11Å; V179-D265 PolarHBondContact N-OD1 3.36Å; V179-D265 PolarHBondContact O-N 3.44Å; D265-H267 PolarHBondContact O-CE1 2.6Å; D265-H267 PolarHBondContact O-N 2.81Å; D265-H267 PolarHBondContact O-ND1 3.04Å
266	C	89.9	Confident	94.4	Very high	17 Å²	17	31.4 Å²	31.4	12%	0.115	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	16.8	-165.1	-63	0	0	0	0	115.2	W139 P140 V142 I264 V296	W139-C266 PolarHBondContact NE1-SG 2.92Å; P140-C266 HydrophobicContact CG-CB 3.95Å; V142-C266 HydrophobicContact CG1-CB 4.35Å; I264-C266 PolarHBondContact O-N 3.32Å; C266-V296 VanDerWaalsContact O-CG1 3.3Å; C266-V296 WeakPolarHBondContact O-CG1 3.49Å
267	H	90.4	Very high	94.6	Very high	85 Å²	85	30 Å²	30	39%	0.394	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-29.2	177.9	-68.3	79.3	0	0	0	112.8	I264 D265	I264-H267 PolarHBondContact O-N 2.78Å; D265-H267 PolarHBondContact O-CE1 2.6Å; D265-H267 PolarHBondContact O-N 2.81Å; D265-H267 PolarHBondContact O-ND1 3.04Å
268	T	93.6	Very high	94.7	Very high	21 Å²	21	37.2 Å²	37.2	13%	0.129	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.7	178.6	-55.7	0	0	0	0	110.3	I264 I270 V290 I291 T292	I264-T268 PolarHBondContact N-O 3.2Å; I264-T268 PolarHBondContact O-N 2.7Å; I264-T268 VanDerWaalsContact O-N 3.11Å; T268-I270 HydrophobicContact CG2-CG1 4.14Å; T268-V290 HydrophobicContact CG2-CG1 3.9Å; T268-I291 WeakPolarHBondContact CA-O 3.26Å; T268-T292 HydrophobicContact CG2-CG2 4.06Å
269	A	95.7	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.9	168.3	0	0	0	0	0	109.9	L262 L263 I291 V296 Y299	L262-A269 CarbonylContact O-C 3.59Å; L262-A269 WeakPolarHBondContact O-CA 3.21Å; L263-A269 HydrophobicContact CD1-CB 4.26Å; A269-I291 HydrophobicContact CB-CB 4.4Å; A269-I291 PolarHBondContact N-O 2.8Å; A269-I291 WeakPolarHBondContact O-CA 3.38Å; A269-I291 WeakPolarHBondContact O-CB 2.85Å; A269-I291 PolarHBondContact O-N 3.09Å; A269-V296 HydrophobicContact CB-CG1 4.35Å; A269-V296 HydrophobicContact CB-CG2 4.15Å; A269-Y299 HydrophobicContact CB-CD2 3.7Å; A269-Y299 HydrophobicContact CB-CE2 4.28Å; A269-Y299 HydrophobicContact CB-CG 3.83Å
270	I	96.8	Very high	94.8	Very high	9 Å²	9	29 Å²	29	5%	0.046	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	108.5	179.9	-58	-179.4	0	0	0	107.2	H172 F261 L262 T268 V288 Q289 V290	H172-I270 HydrophobicContact CB-CD1 4.13Å; F261-I270 CarbonylContact C-O 3.55Å; F261-I270 WeakPolarHBondContact CA-O 3.48Å; F261-I270 WeakPolarHBondContact CB-O 3.32Å; L262-I270 HydrophobicContact CB-CB 4.23Å; L262-I270 HydrophobicContact CD2-CD1 4.28Å; L262-I270 PolarHBondContact N-O 3.38Å; L262-I270 PolarHBondContact O-N 2.86Å; T268-I270 HydrophobicContact CG2-CG1 4.14Å; I270-V288 HydrophobicContact CG2-CG1 3.32Å; I270-Q289 CarbonylContact C-O 3.6Å; I270-Q289 WeakPolarHBondContact CA-O 3.39Å; I270-V290 HydrophobicContact CG1-CG1 4.4Å; I270-V290 HydrophobicContact CG1-CG2 4.38Å
271	Y	96.9	Very high	94.6	Very high	98 Å²	98	29.9 Å²	29.9	38%	0.384	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141	-172.4	165.1	-99.4	0	0	0	111.4	K260 F261 V288 Q289 Y299	K260-Y271 VanDerWaalsContact O-CD2 3.22Å; K260-Y271 WeakPolarHBondContact O-CD2 3.3Å; F261-Y271 HydrophobicContact CB-CD2 4.22Å; Y271-V288 CarbonylContact O-C 3.6Å; Y271-V288 WeakPolarHBondContact O-CA 3.38Å; Y271-Q289 PolarHBondContact N-O 3.42Å; Y271-Q289 PolarHBondContact O-N 3.18Å; Y271-Y299 HydrophobicContact CD2-CE1 4.04Å; Y271-Y299 AromaticContact CG-CE1 3.99Å; Y271-Y299 HydrophobicContact CG-CE1 3.99Å
272	G	95.4	Very high	94.4	Very high	15 Å²	15	35.6 Å²	35.6	16%	0.155	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-161.4	173.5	0	0	0	0	0	115.2	K260 M287	K260-G272 VanDerWaalsContact CB-O 3.25Å; K260-G272 WeakPolarHBondContact CB-O 3.37Å; K260-G272 PolarHBondContact O-N 3.39Å; G272-M287 WeakPolarHBondContact CA-O 3.33Å
273	S	95.3	Very high	94.2	Very high	52 Å²	52	40.7 Å²	40.7	36%	0.364	20%	0.199	S	C	.	.	S	Bend	trans	-86.4	-12.4	-174.3	60.1	0	0	0	0	115.1	K260 S275 F280 S286 M287	K260-S273 PolarHBondContact NZ-O 3.38Å; S273-S275 PolarHBondContact O-N 2.84Å; S273-F280 WeakPolarHBondContact O-CE1 3.17Å; S273-S286 WeakPolarHBondContact OG-CA 3.23Å; S273-S286 WeakPolarHBondContact OG-CB 3.5Å; S273-M287 PolarHBondContact N-O 3.1Å; S273-M287 PolarHBondContact OG-N 2.82Å
274	Y	95.9	Very high	94.1	Very high	6 Å²	6	44.4 Å²	44.4	2%	0.024	22%	0.216	C	C	.	.			trans	-69.1	109.6	-177	-173.8	-83.6	0	0	0	111.8	I165 I169 I192 F276 F280 S286	I165-Y274 HydrophobicContact CB-CD2 4.15Å; I165-Y274 HydrophobicContact CB-CE2 4.39Å; I165-Y274 HydrophobicContact CD1-CD2 4.34Å; I165-Y274 HydrophobicContact CG2-CD1 4.05Å; I165-Y274 HydrophobicContact CG2-CD2 3.74Å; I165-Y274 HydrophobicContact CG2-CE2 4.21Å; I165-Y274 HydrophobicContact CG2-CG 3.67Å; I169-Y274 HydrophobicContact CD1-CD1 3.93Å; I169-Y274 HydrophobicContact CD1-CE1 4.08Å; I192-Y274 HydrophobicContact CD1-CE1 4.35Å; Y274-F276 HydrophobicContact CD1-CD1 4.04Å; Y274-F276 HydrophobicContact CD1-CE1 4.42Å; Y274-F276 HydrophobicContact CE1-CD1 4.03Å; Y274-F280 HydrophobicContact CD2-CB 3.9Å; Y274-F280 HydrophobicContact CD2-CD1 4.49Å; Y274-F280 HydrophobicContact CE2-CB 3.79Å; Y274-F280 HydrophobicContact CG-CB 4.4Å; Y274-S286 WeakPolarHBondContact CD2-OG 3.42Å
275	S	95.9	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.			trans	-81.4	152.6	166.6	-50.8	0	0	0	0	111	D185 K260 S273 S277 F280	D185-S275 WeakPolarHBondContact OD1-CB 3.27Å; D185-S275 PolarHBondContact OD1-OG 2.92Å; D185-S275 PolarHBondContact OD2-OG 3.42Å; K260-S275 PolarHBondContact NZ-OG 3.46Å; K260-S275 VanDerWaalsContact NZ-OG 3.13Å; S273-S275 PolarHBondContact O-N 2.84Å; S275-S277 PolarHBondContact O-N 2.91Å; S275-F280 VanDerWaalsContact CB-CE2 3.42Å; S275-F280 WeakPolarHBondContact O-CB 3.38Å; S275-F280 VanDerWaalsContact OG-CE2 3.3Å; S275-F280 WeakPolarHBondContact OG-CE2 3.4Å
276	F	95.6	Very high	94.2	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.018	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-78.9	68.9	178.1	-67.5	1.1	0	0	0	111	I169 I182 M184 K186 F187 T188 D189 I192 L262 Y274	I169-F276 HydrophobicContact CD1-CE1 3.83Å; I169-F276 HydrophobicContact CG2-CE1 4.18Å; I169-F276 HydrophobicContact CG2-CZ 3.95Å; I182-F276 HydrophobicContact CG2-CE2 4.3Å; M184-F276 HydrophobicContact CE-CD1 3.51Å; M184-F276 HydrophobicContact CE-CD2 4.1Å; M184-F276 HydrophobicContact CE-CE1 3.38Å; M184-F276 HydrophobicContact CE-CE2 4.01Å; M184-F276 HydrophobicContact CE-CG 3.88Å; M184-F276 HydrophobicContact CE-CZ 3.66Å; M184-F276 HydrophobicContact CG-CB 4.31Å; M184-F276 HydrophobicContact CG-CD2 4.38Å; M184-F276 HydrophobicContact CG-CG 4.24Å; M184-F276 HydrophobicContact SD-CB 4.29Å; M184-F276 HydrophobicContact SD-CD1 3.94Å; M184-F276 HydrophobicContact SD-CE1 4.41Å; M184-F276 HydrophobicContact SD-CG 4.02Å; M184-F276 PolarHBondContact SD-N 3.38Å; M184-F276 VanDerWaalsContact SD-N 3.44Å; K186-F276 CarbonylContact O-C 3.59Å; K186-F276 PolarHBondContact O-N 2.83Å; F187-F276 CarbonylContact C-O 3.45Å; F187-F276 WeakPolarHBondContact CA-O 3.3Å; F187-F276 HydrophobicContact CB-CB 4.46Å; F187-F276 HydrophobicContact CD1-CD2 4.38Å; F187-F276 HydrophobicContact CD2-CB 3.61Å; F187-F276 AromaticContact CD2-CD2 3.84Å; F187-F276 HydrophobicContact CD2-CD2 3.84Å; F187-F276 HydrophobicContact CD2-CG 4.26Å; F187-F276 HydrophobicContact CE1-CD2 4.35Å; F187-F276 HydrophobicContact CE2-CB 4.17Å; F187-F276 AromaticContact CE2-CD2 3.81Å; F187-F276 HydrophobicContact CE2-CD2 3.81Å; F187-F276 HydrophobicContact CE2-CG 4.49Å; F187-F276 HydrophobicContact CG-CB 4.2Å; F187-F276 HydrophobicContact CG-CD2 4.15Å; F187-F276 HydrophobicContact CZ-CD2 4.08Å; T188-F276 CarbonylContact C-O 3.43Å; T188-F276 PolarHBondContact N-O 3.48Å; D189-F276 HydrophobicContact CB-CB 4.25Å; D189-F276 WeakPolarHBondContact CB-O 3.26Å; D189-F276 PolarHBondContact N-O 2.62Å; I192-F276 HydrophobicContact CD1-CB 4.38Å; I192-F276 HydrophobicContact CD1-CD1 3.99Å; I192-F276 HydrophobicContact CD1-CD2 4.46Å; I192-F276 HydrophobicContact CD1-CE1 4.43Å; I192-F276 HydrophobicContact CD1-CG 4.02Å; I192-F276 HydrophobicContact CG2-CD2 3.66Å; I192-F276 HydrophobicContact CG2-CE2 3.62Å; I192-F276 HydrophobicContact CG2-CG 4.28Å; I192-F276 HydrophobicContact CG2-CZ 4.21Å; L262-F276 HydrophobicContact CD2-CZ 4.37Å; Y274-F276 HydrophobicContact CD1-CD1 4.04Å; Y274-F276 HydrophobicContact CD1-CE1 4.42Å; Y274-F276 HydrophobicContact CE1-CD1 4.03Å
277	S	94.9	Very high	94.5	Very high	13 Å²	13	53 Å²	53	9%	0.091	26%	0.259	C	S	.	.	S	Bend	trans	-142.5	158.1	174.9	85.1	0	0	0	0	113.1	T188 S275 S279 F280	T188-S277 WeakPolarHBondContact OG1-CB 3.45Å; S275-S277 PolarHBondContact O-N 2.91Å; S277-S279 PolarHBondContact O-N 3.05Å; S277-S279 PolarHBondContact OG-N 3.19Å; S277-S279 PolarHBondContact OG-OG 2.85Å; S277-S279 VanDerWaalsContact OG-OG 3.12Å; S277-F280 PolarHBondContact O-N 3.12Å; S277-F280 VanDerWaalsContact O-N 3.1Å
278	W	94.3	Very high	94.8	Very high	159 Å²	159	49.1 Å²	49.1	60%	0.602	24%	0.242	S	C	*	.	H	α-helix	trans	-56.3	-31.1	177.8	175.5	92.1	0	0	0	113.9	F280 E281 K282 I283	W278-F280 VanDerWaalsContact C-N 3.31Å; W278-F280 PolarHBondContact O-N 3.25Å; W278-E281 PolarHBondContact O-N 3.32Å; W278-E281 VanDerWaalsContact O-N 3.11Å; W278-K282 HydrophobicContact CD2-CB 4.44Å; W278-K282 HydrophobicContact CD2-CG 4.11Å; W278-K282 HydrophobicContact CG-CG 4.43Å; W278-K282 HydrophobicContact CH2-CB 4.25Å; W278-K282 HydrophobicContact CZ2-CB 3.97Å; W278-K282 HydrophobicContact CZ2-CG 3.79Å; W278-K282 PolarHBondContact O-N 3.41Å; W278-I283 HydrophobicContact CH2-CD1 4.22Å; W278-I283 HydrophobicContact CZ3-CD1 3.7Å; W278-I283 HydrophobicContact CZ3-CG1 4.3Å
279	S	94.2	Very high	94.9	Very high	31 Å²	31	50.7 Å²	50.7	22%	0.217	25%	0.247	C	C	.	.	H	α-helix	trans	-70.3	-28.7	-179.9	68.5	0	0	0	0	112.4	S277 E281 I283 H284	S277-S279 PolarHBondContact O-N 3.05Å; S277-S279 PolarHBondContact OG-N 3.19Å; S277-S279 PolarHBondContact OG-OG 2.85Å; S277-S279 VanDerWaalsContact OG-OG 3.12Å; S279-E281 VanDerWaalsContact C-N 3.31Å; S279-I283 WeakPolarHBondContact O-CA 3.07Å; S279-I283 WeakPolarHBondContact O-CB 3.41Å; S279-I283 PolarHBondContact O-N 3.07Å; S279-H284 VanDerWaalsContact C-CD2 3.41Å; S279-H284 VanDerWaalsContact CB-NE2 3.33Å; S279-H284 WeakPolarHBondContact CB-NE2 3.28Å; S279-H284 PolarHBondContact O-CD2 2.73Å; S279-H284 PolarHBondContact O-N 3.37Å; S279-H284 PolarHBondContact OG-CD2 3.06Å; S279-H284 PolarHBondContact OG-NE2 2.94Å
280	F	93.5	Very high	94.9	Very high	30 Å²	30	51.3 Å²	51.3	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-74.4	-21	171.1	-81	-88.9	0	0	0	113.2	H156 S273 Y274 S275 S277 W278 H284	H156-F280 PolarHBondContact CD2-O 3.35Å; H156-F280 PolarHBondContact NE2-O 3.11Å; S273-F280 WeakPolarHBondContact O-CE1 3.17Å; Y274-F280 HydrophobicContact CD2-CB 3.9Å; Y274-F280 HydrophobicContact CD2-CD1 4.49Å; Y274-F280 HydrophobicContact CE2-CB 3.79Å; Y274-F280 HydrophobicContact CG-CB 4.4Å; S275-F280 VanDerWaalsContact CB-CE2 3.42Å; S275-F280 WeakPolarHBondContact O-CB 3.38Å; S275-F280 VanDerWaalsContact OG-CE2 3.3Å; S275-F280 WeakPolarHBondContact OG-CE2 3.4Å; S277-F280 PolarHBondContact O-N 3.12Å; S277-F280 VanDerWaalsContact O-N 3.1Å; W278-F280 VanDerWaalsContact C-N 3.31Å; W278-F280 PolarHBondContact O-N 3.25Å; F280-H284 HydrophobicContact CD1-CB 3.89Å; F280-H284 AromaticContact CD2-CD2 3.63Å; F280-H284 HydrophobicContact CE1-CB 4.02Å; F280-H284 AromaticContact CE2-CD2 3.67Å; F280-H284 HydrophobicContact CG-CB 4.33Å; F280-H284 AromaticContact CG-CD2 3.89Å; F280-H284 AromaticContact CZ-CD2 3.97Å
281	E	91.4	Very high	94.8	Very high	48 Å²	48	50.9 Å²	50.9	22%	0.224	25%	0.249	C	C	.	.	H	α-helix	trans	-83.4	-30	172.4	-151.9	-161.9	123.9	0	0	112.7	H156 K166 W278 S279	H156-E281 PolarHBondContact CE1-O 3.49Å; H156-E281 PolarHBondContact NE2-O 2.84Å; K166-E281 HydrophobicContact CD-CG 4.2Å; K166-E281 VanDerWaalsContact CD-OE2 3.28Å; K166-E281 WeakPolarHBondContact CD-OE2 3.16Å; K166-E281 WeakPolarHBondContact CE-OE2 3.36Å; K166-E281 IonicContact NZ-OE2 3.71Å; K166-E281 PolarHBondContact NZ-OE2 3.06Å; W278-E281 PolarHBondContact O-N 3.32Å; W278-E281 VanDerWaalsContact O-N 3.11Å; S279-E281 VanDerWaalsContact C-N 3.31Å
282	K	92.1	Very high	94.7	Very high	123 Å²	123	48.4 Å²	48.4	54%	0.535	24%	0.244	S	C	.	.	H	α-helix	trans	-118.7	-19.1	-170.2	-55.7	-52.4	-179.3	-162.8	0	117	W278	W278-K282 HydrophobicContact CD2-CB 4.44Å; W278-K282 HydrophobicContact CD2-CG 4.11Å; W278-K282 HydrophobicContact CG-CG 4.43Å; W278-K282 HydrophobicContact CH2-CB 4.25Å; W278-K282 HydrophobicContact CZ2-CB 3.97Å; W278-K282 HydrophobicContact CZ2-CG 3.79Å; W278-K282 PolarHBondContact O-N 3.41Å
283	I	94.1	Very high	94.3	Very high	111 Å²	111	48.3 Å²	48.3	57%	0.569	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-47.2	-168.8	-56.2	180	0	0	0	112.5	W278 S279	W278-I283 HydrophobicContact CH2-CD1 4.22Å; W278-I283 HydrophobicContact CZ3-CD1 3.7Å; W278-I283 HydrophobicContact CZ3-CG1 4.3Å; S279-I283 WeakPolarHBondContact O-CA 3.07Å; S279-I283 WeakPolarHBondContact O-CB 3.41Å; S279-I283 PolarHBondContact O-N 3.07Å
284	H	93.8	Very high	94	Very high	78 Å²	78	53.1 Å²	53.1	36%	0.361	25%	0.253	S	S	.	.			trans	-86	146	-173	-52.9	-54.2	0	0	0	112.8	S279 F280	S279-H284 VanDerWaalsContact C-CD2 3.41Å; S279-H284 VanDerWaalsContact CB-NE2 3.33Å; S279-H284 WeakPolarHBondContact CB-NE2 3.28Å; S279-H284 PolarHBondContact O-CD2 2.73Å; S279-H284 PolarHBondContact O-N 3.37Å; S279-H284 PolarHBondContact OG-CD2 3.06Å; S279-H284 PolarHBondContact OG-NE2 2.94Å; F280-H284 HydrophobicContact CD1-CB 3.89Å; F280-H284 AromaticContact CD2-CD2 3.63Å; F280-H284 HydrophobicContact CE1-CB 4.02Å; F280-H284 AromaticContact CE2-CD2 3.67Å; F280-H284 HydrophobicContact CG-CB 4.33Å; F280-H284 AromaticContact CG-CD2 3.89Å; F280-H284 AromaticContact CZ-CD2 3.97Å
285	L	94.4	Very high	93.8	Very high	143 Å²	143	55.7 Å²	55.7	75%	0.749	27%	0.267	S	S	*	.			trans	-81.6	137.8	163.7	-55.2	-177.8	0	0	0	108.8	H156 P157	H156-L285 WeakPolarHBondContact O-CA 3.41Å; P157-L285 VanDerWaalsContact CD-CD2 3.48Å; P157-L285 HydrophobicContact CG-CD2 4.48Å
286	S	94.5	Very high	93.6	Very high	10 Å²	10	55.9 Å²	55.9	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.9	177.1	56	0	0	0	0	113	Y155 H156 S273 Y274	Y155-S286 WeakPolarHBondContact CA-O 3.37Å; H156-S286 WeakPolarHBondContact CB-OG 3.1Å; H156-S286 PolarHBondContact N-O 3.28Å; H156-S286 PolarHBondContact O-N 2.81Å; H156-S286 VanDerWaalsContact O-N 3.12Å; S273-S286 WeakPolarHBondContact OG-CA 3.23Å; S273-S286 WeakPolarHBondContact OG-CB 3.5Å; Y274-S286 WeakPolarHBondContact CD2-OG 3.42Å
287	M	95.2	Very high	93.3	Very high	76 Å²	76	59 Å²	59	37%	0.374	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.6	177.4	-176	-178.6	67.3	0	0	108.8	L154 Y155 G272 S273	L154-M287 WeakPolarHBondContact O-CA 3.47Å; L154-M287 WeakPolarHBondContact O-CG 3.47Å; Y155-M287 HydrophobicContact CD1-CB 4.18Å; Y155-M287 HydrophobicContact CD1-CG 3.89Å; Y155-M287 HydrophobicContact CD1-SD 4.31Å; Y155-M287 HydrophobicContact CE1-CB 4.26Å; Y155-M287 HydrophobicContact CE1-CG 3.59Å; Y155-M287 HydrophobicContact CE1-SD 3.46Å; Y155-M287 WeakPolarHBondContact CE1-SD 3.47Å; G272-M287 WeakPolarHBondContact CA-O 3.33Å; S273-M287 PolarHBondContact N-O 3.1Å; S273-M287 PolarHBondContact OG-N 2.82Å
288	V	96.8	Very high	93.1	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.03	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.5	-179.7	164.4	0	0	0	0	109.6	L154 I165 I270 Y271	L154-V288 PolarHBondContact N-O 3.22Å; L154-V288 PolarHBondContact O-N 2.63Å; I165-V288 HydrophobicContact CD1-CB 4.05Å; I165-V288 HydrophobicContact CD1-CG2 3.95Å; I165-V288 HydrophobicContact CG1-CB 4.43Å; I165-V288 HydrophobicContact CG2-CB 4.24Å; I165-V288 HydrophobicContact CG2-CG2 3.86Å; I270-V288 HydrophobicContact CG2-CG1 3.32Å; Y271-V288 CarbonylContact O-C 3.6Å; Y271-V288 WeakPolarHBondContact O-CA 3.38Å
289	Q	96.3	Very high	93.1	Very high	53 Å²	53	55.2 Å²	55.2	25%	0.248	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.1	176.2	-45	-165	1.7	0	0	108.6	I151 N152 L153 I270 Y271 I291	I151-Q289 HydrophobicContact CG2-CB 4.03Å; N152-Q289 WeakPolarHBondContact O-CA 3.36Å; L153-Q289 HydrophobicContact CD2-CB 4.18Å; L153-Q289 HydrophobicContact CD2-CG 3.66Å; I270-Q289 CarbonylContact C-O 3.6Å; I270-Q289 WeakPolarHBondContact CA-O 3.39Å; Y271-Q289 PolarHBondContact N-O 3.42Å; Y271-Q289 PolarHBondContact O-N 3.18Å; Q289-I291 HydrophobicContact CB-CD1 4.09Å; Q289-I291 HydrophobicContact CB-CG1 3.97Å
290	V	96.3	Very high	93	Very high	13 Å²	13	54 Å²	54	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.6	168.4	-177.6	0	0	0	0	107.4	I151 N152 L154 V168 T268 I270	I151-V290 WeakPolarHBondContact CA-O 3.48Å; N152-V290 PolarHBondContact N-O 3.12Å; N152-V290 PolarHBondContact O-N 2.6Å; L154-V290 HydrophobicContact CD1-CG2 3.72Å; L154-V290 HydrophobicContact CG-CG2 4.39Å; V168-V290 HydrophobicContact CG1-CG2 4.23Å; T268-V290 HydrophobicContact CG2-CG1 3.9Å; I270-V290 HydrophobicContact CG1-CG1 4.4Å; I270-V290 HydrophobicContact CG1-CG2 4.38Å
291	I	95.3	Very high	92.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.4	-167.2	-58.1	172.3	0	0	0	109.1	N150 I151 T268 A269 Q289 L295 V296 Y299	N150-I291 WeakPolarHBondContact O-CA 3.27Å; I151-I291 HydrophobicContact CG1-CG1 4.21Å; I151-I291 HydrophobicContact CG1-CG2 4.39Å; I151-I291 HydrophobicContact CG2-CG1 4.17Å; T268-I291 WeakPolarHBondContact CA-O 3.26Å; A269-I291 HydrophobicContact CB-CB 4.4Å; A269-I291 PolarHBondContact N-O 2.8Å; A269-I291 WeakPolarHBondContact O-CA 3.38Å; A269-I291 WeakPolarHBondContact O-CB 2.85Å; A269-I291 PolarHBondContact O-N 3.09Å; Q289-I291 HydrophobicContact CB-CD1 4.09Å; Q289-I291 HydrophobicContact CB-CG1 3.97Å; I291-L295 HydrophobicContact CD1-CD2 4.34Å; I291-L295 HydrophobicContact CG2-CB 4.03Å; I291-L295 HydrophobicContact CG2-CD2 3.91Å; I291-L295 HydrophobicContact CG2-CG 4.12Å; I291-V296 HydrophobicContact CG2-CG2 4.29Å; I291-Y299 HydrophobicContact CD1-CE2 3.62Å; I291-Y299 WeakPolarHBondContact CD1-OH 3.47Å
292	T	93	Very high	92.9	Very high	45 Å²	45	57.5 Å²	57.5	28%	0.276	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161	174.8	56.3	0	0	0	0	111.5	T149 N150 T268	T149-T292 WeakPolarHBondContact CA-O 3.4Å; N150-T292 PolarHBondContact N-O 3.18Å; N150-T292 PolarHBondContact O-N 3.44Å; T268-T292 HydrophobicContact CG2-CG2 4.06Å
293	G	88.8	Confident	93	Very high	14 Å²	14	51.7 Å²	51.7	14%	0.144	26%	0.257	C	S	.	.	S	Bend	trans	81.1	-159.8	-175.8	0	0	0	0	0	113.6	L295 V296	G293-L295 VanDerWaalsContact C-N 3.27Å; G293-L295 PolarHBondContact O-N 2.91Å; G293-V296 WeakPolarHBondContact O-CB 3.45Å; G293-V296 WeakPolarHBondContact O-CG2 3.18Å; G293-V296 PolarHBondContact O-N 3.2Å
294	R	88.2	Confident	92.9	Very high	152 Å²	152	50.4 Å²	50.4	57%	0.574	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-34.6	-163.8	-176.8	174.5	172.1	174.4	-3.5	116.7	S38 T149 V296 K297	S38-R294 PolarHBondContact OG-NH2 3.38Å; T149-R294 HydrophobicContact CG2-CB 4.09Å; R294-V296 PolarHBondContact O-N 3.23Å; R294-K297 VanDerWaalsContact O-CB 3.3Å; R294-K297 WeakPolarHBondContact O-CB 3.17Å; R294-K297 PolarHBondContact O-N 3.48Å
295	L	90.9	Very high	92.8	Very high	61 Å²	61	50.6 Å²	50.6	32%	0.319	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.7	-177.6	-177.8	58.7	0	0	0	113	T149 I151 I291 G293 K297 S298 Y299	T149-L295 HydrophobicContact CG2-CB 3.69Å; I151-L295 HydrophobicContact CD1-CD2 4.2Å; I291-L295 HydrophobicContact CD1-CD2 4.34Å; I291-L295 HydrophobicContact CG2-CB 4.03Å; I291-L295 HydrophobicContact CG2-CD2 3.91Å; I291-L295 HydrophobicContact CG2-CG 4.12Å; G293-L295 VanDerWaalsContact C-N 3.27Å; G293-L295 PolarHBondContact O-N 2.91Å; L295-K297 PolarHBondContact O-N 3.37Å; L295-K297 VanDerWaalsContact O-N 3.16Å; L295-S298 PolarHBondContact O-N 2.75Å; L295-Y299 HydrophobicContact CD2-CE2 4.47Å; L295-Y299 HydrophobicContact CG-CE2 4.12Å
296	V	91.9	Very high	92.7	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-24.9	175.9	-178.4	0	0	0	0	111.9	L263 C266 A269 I291 G293 R294 S298 Y299 D300	L263-V296 HydrophobicContact CD1-CG1 3.41Å; L263-V296 VanDerWaalsContact CD1-CG1 3.41Å; C266-V296 VanDerWaalsContact O-CG1 3.3Å; C266-V296 WeakPolarHBondContact O-CG1 3.49Å; A269-V296 HydrophobicContact CB-CG1 4.35Å; A269-V296 HydrophobicContact CB-CG2 4.15Å; I291-V296 HydrophobicContact CG2-CG2 4.29Å; G293-V296 WeakPolarHBondContact O-CB 3.45Å; G293-V296 WeakPolarHBondContact O-CG2 3.18Å; G293-V296 PolarHBondContact O-N 3.2Å; R294-V296 PolarHBondContact O-N 3.23Å; V296-S298 VanDerWaalsContact C-N 3.31Å; V296-S298 PolarHBondContact O-N 2.98Å; V296-Y299 PolarHBondContact O-N 3.16Å; V296-D300 PolarHBondContact O-N 3.32Å
297	K	88.9	Confident	92.6	Very high	68 Å²	68	44.1 Å²	44.1	30%	0.296	22%	0.217	S	C	.	.	H	α-helix	trans	-56.1	-42.1	170.6	-179	173.7	-166.6	-72.6	0	112.8	H144 R294 L295 Y299 D300 E301	H144-K297 WeakPolarHBondContact CE1-CD 3.48Å; H144-K297 VanDerWaalsContact CE1-CG 3.41Å; H144-K297 WeakPolarHBondContact CE1-CG 3.07Å; H144-K297 WeakPolarHBondContact NE2-CD 3.22Å; H144-K297 WeakPolarHBondContact NE2-CE 3.31Å; R294-K297 VanDerWaalsContact O-CB 3.3Å; R294-K297 WeakPolarHBondContact O-CB 3.17Å; R294-K297 PolarHBondContact O-N 3.48Å; L295-K297 PolarHBondContact O-N 3.37Å; L295-K297 VanDerWaalsContact O-N 3.16Å; K297-Y299 VanDerWaalsContact C-N 3.31Å; K297-Y299 PolarHBondContact O-N 3.19Å; K297-D300 WeakPolarHBondContact O-CB 3.22Å; K297-D300 PolarHBondContact O-N 3.29Å; K297-E301 VanDerWaalsContact NZ-CD 3.34Å; K297-E301 IonicContact NZ-OE1 4Å; K297-E301 PolarHBondContact NZ-OE1 3.12Å; K297-E301 IonicContact NZ-OE2 2.57Å; K297-E301 WeakPolarHBondContact O-CG 3.27Å; K297-E301 PolarHBondContact O-N 2.95Å
298	S	91.4	Very high	92.3	Very high	59 Å²	59	42.1 Å²	42.1	41%	0.413	21%	0.212	S	C	.	.	H	α-helix	trans	-71.9	-28.1	-178.2	-57.3	0	0	0	0	112.2	L295 V296 E302	L295-S298 PolarHBondContact O-N 2.75Å; V296-S298 VanDerWaalsContact C-N 3.31Å; V296-S298 PolarHBondContact O-N 2.98Å; S298-E302 WeakPolarHBondContact O-CB 3.47Å; S298-E302 PolarHBondContact O-N 3.31Å
299	Y	93.8	Very high	92	Very high	35 Å²	35	47.9 Å²	47.9	14%	0.137	23%	0.234	C	C	.	.	H	α-helix	trans	-74.7	-31.6	171.5	-71.6	-79.5	0	0	0	112.8	F261 A269 Y271 I291 L295 V296 K297 F303	F261-Y299 HydrophobicContact CB-CD1 4.21Å; F261-Y299 HydrophobicContact CB-CE1 4.31Å; F261-Y299 HydrophobicContact CD1-CD1 4.15Å; F261-Y299 HydrophobicContact CD1-CE1 4.49Å; F261-Y299 AromaticContact CD2-CD1 3.85Å; F261-Y299 HydrophobicContact CD2-CD1 3.85Å; F261-Y299 HydrophobicContact CE1-CD1 4.42Å; F261-Y299 HydrophobicContact CE2-CD1 4.14Å; F261-Y299 WeakPolarHBondContact CE2-O 3.37Å; F261-Y299 AromaticContact CG-CD1 3.84Å; F261-Y299 HydrophobicContact CG-CD1 3.84Å; F261-Y299 HydrophobicContact CG-CE1 4.31Å; F261-Y299 HydrophobicContact CZ-CD1 4.41Å; A269-Y299 HydrophobicContact CB-CD2 3.7Å; A269-Y299 HydrophobicContact CB-CE2 4.28Å; A269-Y299 HydrophobicContact CB-CG 3.83Å; Y271-Y299 HydrophobicContact CD2-CE1 4.04Å; Y271-Y299 AromaticContact CG-CE1 3.99Å; Y271-Y299 HydrophobicContact CG-CE1 3.99Å; I291-Y299 HydrophobicContact CD1-CE2 3.62Å; I291-Y299 WeakPolarHBondContact CD1-OH 3.47Å; L295-Y299 HydrophobicContact CD2-CE2 4.47Å; L295-Y299 HydrophobicContact CG-CE2 4.12Å; V296-Y299 PolarHBondContact O-N 3.16Å; K297-Y299 VanDerWaalsContact C-N 3.31Å; K297-Y299 PolarHBondContact O-N 3.19Å; Y299-F303 WeakPolarHBondContact O-CB 3.38Å; Y299-F303 PolarHBondContact O-N 3.2Å
300	D	92	Very high	91.8	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-43.1	169.1	173.8	38.9	0	0	0	111.4	W139 V142 L263 V296 K297 F303 R304	W139-D300 VanDerWaalsContact CE2-OD1 3.3Å; W139-D300 VanDerWaalsContact CZ2-OD1 3.28Å; W139-D300 WeakPolarHBondContact CZ2-OD1 3.44Å; W139-D300 PolarHBondContact NE1-OD1 2.8Å; V142-D300 WeakPolarHBondContact CG2-OD2 3.5Å; L263-D300 HydrophobicContact CD2-CB 4.11Å; V296-D300 PolarHBondContact O-N 3.32Å; K297-D300 WeakPolarHBondContact O-CB 3.22Å; K297-D300 PolarHBondContact O-N 3.29Å; D300-F303 PolarHBondContact O-N 3.4Å; D300-R304 VanDerWaalsContact CG-NH2 3.31Å; D300-R304 VanDerWaalsContact O-CG 3.27Å; D300-R304 WeakPolarHBondContact O-CG 3.43Å; D300-R304 PolarHBondContact O-N 2.93Å; D300-R304 IonicContact OD1-CZ 3.49Å; D300-R304 IonicContact OD1-NE 3.46Å; D300-R304 PolarHBondContact OD1-NE 2.92Å; D300-R304 IonicContact OD1-NH2 2.75Å; D300-R304 PolarHBondContact OD1-NH2 2.78Å; D300-R304 IonicContact OD2-CZ 3.56Å; D300-R304 IonicContact OD2-NE 3.05Å; D300-R304 PolarHBondContact OD2-NE 3.2Å; D300-R304 IonicContact OD2-NH2 3.34Å; D300-R304 PolarHBondContact OD2-NH2 3.37Å
301	E	90.8	Very high	91.4	Very high	88 Å²	88	49.3 Å²	49.3	41%	0.411	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-45	175.2	-71.7	172	146	0	0	112.6	K297 R304 T305	K297-E301 VanDerWaalsContact NZ-CD 3.34Å; K297-E301 IonicContact NZ-OE1 4Å; K297-E301 PolarHBondContact NZ-OE1 3.12Å; K297-E301 IonicContact NZ-OE2 2.57Å; K297-E301 WeakPolarHBondContact O-CG 3.27Å; K297-E301 PolarHBondContact O-N 2.95Å; E301-R304 PolarHBondContact O-N 2.72Å; E301-T305 PolarHBondContact O-N 2.68Å; E301-T305 VanDerWaalsContact O-N 3.1Å; E301-T305 PolarHBondContact O-OG1 3.13Å
302	E	93.4	Very high	90.9	Very high	65 Å²	65	53 Å²	53	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-66.2	-41.1	175	-173.9	63.5	-172.6	0	0	111.3	Q259 F261 S298 R304 T305 L306	Q259-E302 PolarHBondContact NE2-OE1 3.37Å; Q259-E302 PolarHBondContact OE1-OE1 2.94Å; F261-E302 HydrophobicContact CE1-CG 4.18Å; F261-E302 HydrophobicContact CZ-CB 4.35Å; F261-E302 HydrophobicContact CZ-CG 4.3Å; S298-E302 WeakPolarHBondContact O-CB 3.47Å; S298-E302 PolarHBondContact O-N 3.31Å; E302-R304 PolarHBondContact O-N 3.34Å; E302-T305 WeakPolarHBondContact O-CB 3.45Å; E302-T305 PolarHBondContact O-N 2.81Å; E302-T305 VanDerWaalsContact O-N 3.12Å; E302-L306 HydrophobicContact CG-CD1 4.16Å; E302-L306 HydrophobicContact CG-CG 4.38Å; E302-L306 WeakPolarHBondContact O-CG 3.44Å; E302-L306 PolarHBondContact O-N 2.96Å
303	F	94.1	Very high	90.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-45.8	177.1	-174.1	-94.1	0	0	0	111.9	L135 W139 A181 V183 Y207 L209 F261 L263 Y299 D300 T305 L306 Y307	L135-F303 HydrophobicContact CD2-CE1 4.1Å; W139-F303 AromaticContact CH2-CD1 3.28Å; W139-F303 HydrophobicContact CH2-CD1 3.28Å; W139-F303 AromaticContact CH2-CE1 3.58Å; W139-F303 HydrophobicContact CH2-CE1 3.58Å; W139-F303 HydrophobicContact CH2-CG 4.06Å; W139-F303 HydrophobicContact CZ2-CD1 4.03Å; W139-F303 AromaticContact CZ3-CD1 3.89Å; W139-F303 HydrophobicContact CZ3-CD1 3.89Å; W139-F303 AromaticContact CZ3-CE1 3.7Å; W139-F303 HydrophobicContact CZ3-CE1 3.7Å; A181-F303 HydrophobicContact CB-CD1 4.2Å; A181-F303 HydrophobicContact CB-CD2 3.95Å; A181-F303 HydrophobicContact CB-CE1 4Å; A181-F303 HydrophobicContact CB-CE2 3.74Å; A181-F303 HydrophobicContact CB-CG 4.19Å; A181-F303 HydrophobicContact CB-CZ 3.77Å; V183-F303 HydrophobicContact CG2-CD2 3.54Å; V183-F303 HydrophobicContact CG2-CE2 3.83Å; Y207-F303 HydrophobicContact CG-CZ 4.48Å; L209-F303 HydrophobicContact CD1-CD2 4.17Å; L209-F303 HydrophobicContact CD1-CE2 3.68Å; L209-F303 HydrophobicContact CD1-CZ 4Å; L209-F303 HydrophobicContact CG-CE2 3.82Å; L209-F303 HydrophobicContact CG-CZ 4.02Å; F261-F303 HydrophobicContact CE2-CB 4.08Å; F261-F303 HydrophobicContact CE2-CD2 4.28Å; F261-F303 HydrophobicContact CZ-CB 4.1Å; F261-F303 HydrophobicContact CZ-CD2 4.43Å; L263-F303 HydrophobicContact CD2-CB 4.48Å; Y299-F303 WeakPolarHBondContact O-CB 3.38Å; Y299-F303 PolarHBondContact O-N 3.2Å; D300-F303 PolarHBondContact O-N 3.4Å; F303-T305 VanDerWaalsContact C-N 3.29Å; F303-T305 PolarHBondContact O-N 2.72Å; F303-L306 PolarHBondContact O-N 2.94Å; F303-Y307 HydrophobicContact CE1-CD2 4.06Å; F303-Y307 HydrophobicContact CE1-CG 4.45Å; F303-Y307 HydrophobicContact CZ-CD2 4.15Å; F303-Y307 VanDerWaalsContact O-CB 3.3Å; F303-Y307 WeakPolarHBondContact O-CB 3.41Å; F303-Y307 PolarHBondContact O-N 2.95Å
304	R	91.8	Very high	89.2	Confident	84 Å²	84	58 Å²	58	32%	0.317	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-37.1	176.4	-67.8	169.3	-163.9	-135.5	13.3	112.1	M132 L135 D300 E301 E302 Y307 A308	M132-R304 HydrophobicContact CE-CB 4.19Å; M132-R304 WeakPolarHBondContact CE-O 3.21Å; L135-R304 HydrophobicContact CD1-CG 4.23Å; D300-R304 VanDerWaalsContact CG-NH2 3.31Å; D300-R304 VanDerWaalsContact O-CG 3.27Å; D300-R304 WeakPolarHBondContact O-CG 3.43Å; D300-R304 PolarHBondContact O-N 2.93Å; D300-R304 IonicContact OD1-CZ 3.49Å; D300-R304 IonicContact OD1-NE 3.46Å; D300-R304 PolarHBondContact OD1-NE 2.92Å; D300-R304 IonicContact OD1-NH2 2.75Å; D300-R304 PolarHBondContact OD1-NH2 2.78Å; D300-R304 IonicContact OD2-CZ 3.56Å; D300-R304 IonicContact OD2-NE 3.05Å; D300-R304 PolarHBondContact OD2-NE 3.2Å; D300-R304 IonicContact OD2-NH2 3.34Å; D300-R304 PolarHBondContact OD2-NH2 3.37Å; E301-R304 PolarHBondContact O-N 2.72Å; E302-R304 PolarHBondContact O-N 3.34Å; R304-Y307 PolarHBondContact O-N 3.28Å; R304-A308 WeakPolarHBondContact O-CB 3.32Å; R304-A308 PolarHBondContact O-N 3.49Å
305	T	91.4	Very high	88	Confident	82 Å²	82	55.8 Å²	55.8	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-45.4	177.6	-56.8	0	0	0	0	111.2	E301 E302 F303 A308 R309	E301-T305 PolarHBondContact O-N 2.68Å; E301-T305 VanDerWaalsContact O-N 3.1Å; E301-T305 PolarHBondContact O-OG1 3.13Å; E302-T305 WeakPolarHBondContact O-CB 3.45Å; E302-T305 PolarHBondContact O-N 2.81Å; E302-T305 VanDerWaalsContact O-N 3.12Å; F303-T305 VanDerWaalsContact C-N 3.29Å; F303-T305 PolarHBondContact O-N 2.72Å; T305-A308 PolarHBondContact O-N 2.98Å; T305-R309 PolarHBondContact O-N 2.78Å; T305-R309 VanDerWaalsContact O-N 3.08Å
306	L	92.9	Very high	86.7	Confident	13 Å²	13	54.2 Å²	54.2	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-38.7	173.2	-65.4	174.2	0	0	0	112.1	V183 L209 V240 F261 E302 F303 A308 R309 S310	V183-L306 HydrophobicContact CG1-CD1 3.72Å; V183-L306 HydrophobicContact CG2-CD1 4.1Å; L209-L306 HydrophobicContact CD1-CB 3.59Å; V240-L306 HydrophobicContact CG1-CD2 4.43Å; F261-L306 HydrophobicContact CE1-CD1 4.11Å; F261-L306 HydrophobicContact CZ-CD1 4.4Å; E302-L306 HydrophobicContact CG-CD1 4.16Å; E302-L306 HydrophobicContact CG-CG 4.38Å; E302-L306 WeakPolarHBondContact O-CG 3.44Å; E302-L306 PolarHBondContact O-N 2.96Å; F303-L306 PolarHBondContact O-N 2.94Å; L306-A308 VanDerWaalsContact C-N 3.28Å; L306-A308 PolarHBondContact O-N 3Å; L306-R309 CarbonylContact O-C 3.47Å; L306-R309 PolarHBondContact O-N 3.35Å; L306-R309 VanDerWaalsContact O-N 3.12Å; L306-S310 WeakPolarHBondContact O-CB 3.43Å; L306-S310 PolarHBondContact O-N 3.45Å
307	Y	92	Very high	84.4	Confident	5 Å²	5	55.8 Å²	55.8	2%	0.02	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-37.9	175.8	-162.9	-98.7	0	0	0	111.2	P133 L135 D136 Y207 L209 R238 F303 R304 S310	P133-Y307 HydrophobicContact CB-CD1 4.25Å; P133-Y307 HydrophobicContact CB-CE1 4.02Å; P133-Y307 WeakPolarHBondContact O-CD1 3.2Å; P133-Y307 WeakPolarHBondContact O-CE1 3.49Å; L135-Y307 HydrophobicContact CD2-CD1 3.8Å; L135-Y307 HydrophobicContact CD2-CD2 4.09Å; L135-Y307 HydrophobicContact CD2-CE1 3.83Å; L135-Y307 HydrophobicContact CD2-CE2 4.16Å; L135-Y307 HydrophobicContact CD2-CG 3.94Å; L135-Y307 HydrophobicContact CG-CD1 4.34Å; L135-Y307 HydrophobicContact CG-CE1 4.37Å; D136-Y307 PolarHBondContact OD1-OH 3.26Å; Y207-Y307 AromaticContact CD1-CE2 3.7Å; Y207-Y307 HydrophobicContact CD1-CE2 3.7Å; Y207-Y307 HydrophobicContact CE1-CE2 4.34Å; L209-Y307 HydrophobicContact CD2-CD2 3.88Å; L209-Y307 HydrophobicContact CD2-CE2 4.48Å; R238-Y307 VanDerWaalsContact CD-CE2 3.43Å; F303-Y307 HydrophobicContact CE1-CD2 4.06Å; F303-Y307 HydrophobicContact CE1-CG 4.45Å; F303-Y307 HydrophobicContact CZ-CD2 4.15Å; F303-Y307 VanDerWaalsContact O-CB 3.3Å; F303-Y307 WeakPolarHBondContact O-CB 3.41Å; F303-Y307 PolarHBondContact O-N 2.95Å; R304-Y307 PolarHBondContact O-N 3.28Å; Y307-S310 WeakPolarHBondContact O-CB 3.45Å; Y307-S310 PolarHBondContact O-N 2.92Å; Y307-S310 PolarHBondContact O-OG 2.88Å
308	A	89.5	Confident	82.3	Confident	33 Å²	33	56.8 Å²	56.8	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-69.7	-30.5	172.9	0	0	0	0	0	114.6	M132 R304 T305 L306 S310	M132-A308 HydrophobicContact CB-CB 4.25Å; M132-A308 HydrophobicContact CE-CB 3.76Å; M132-A308 HydrophobicContact CG-CB 3.97Å; R304-A308 WeakPolarHBondContact O-CB 3.32Å; R304-A308 PolarHBondContact O-N 3.49Å; T305-A308 PolarHBondContact O-N 2.98Å; L306-A308 VanDerWaalsContact C-N 3.28Å; L306-A308 PolarHBondContact O-N 3Å; A308-S310 VanDerWaalsContact C-N 3.32Å
309	R	89.4	Confident	79.6	Confident	126 Å²	126	59.5 Å²	59.5	48%	0.475	33%	0.328	S	S	.	.	H	α-helix	trans	-74.4	-21.4	169.8	-167.8	176.5	-177.9	78.6	11.1	113.2	V240 K241 G242 T305 L306	V240-R309 HydrophobicContact CG1-CG 4.35Å; K241-R309 PolarHBondContact O-NE 3.45Å; G242-R309 PolarHBondContact O-NH2 3.1Å; T305-R309 PolarHBondContact O-N 2.78Å; T305-R309 VanDerWaalsContact O-N 3.08Å; L306-R309 CarbonylContact O-C 3.47Å; L306-R309 PolarHBondContact O-N 3.35Å; L306-R309 VanDerWaalsContact O-N 3.12Å
310	S	91.2	Very high	76.9	Confident	6 Å²	6	66 Å²	66	4%	0.042	36%	0.364	C	S	.	.			trans	-78.1	146.1	-167.9	76	0	0	0	0	114.7	R238 T239 L306 Y307 A308	R238-S310 WeakPolarHBondContact CD-OG 3.37Å; R238-S310 PolarHBondContact NE-OG 3.21Å; R238-S310 PolarHBondContact NH2-O 3.42Å; T239-S310 CarbonylContact O-C 3.47Å; T239-S310 VanDerWaalsContact O-CA 3.23Å; T239-S310 WeakPolarHBondContact O-CA 3.42Å; T239-S310 WeakPolarHBondContact O-CB 3.2Å; L306-S310 WeakPolarHBondContact O-CB 3.43Å; L306-S310 PolarHBondContact O-N 3.45Å; Y307-S310 WeakPolarHBondContact O-CB 3.45Å; Y307-S310 PolarHBondContact O-N 2.92Å; Y307-S310 PolarHBondContact O-OG 2.88Å; A308-S310 VanDerWaalsContact C-N 3.32Å
311	I	89.2	Confident	74.2	Confident	91 Å²	91	75.3 Å²	75.3	47%	0.467	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-112.9	141.5	-177	-57.9	175.3	0	0	0	109.6	R238 T239	R238-I311 WeakPolarHBondContact CA-O 3.35Å; T239-I311 PolarHBondContact N-O 3.33Å; T239-I311 PolarHBondContact O-N 3.12Å
312	V	85.2	Confident	71.2	Confident	78 Å²	78	74.2 Å²	74.2	47%	0.473	42%	0.419	S	S	.	.			trans	-83.1	118.7	168.7	-174.4	0	0	0	0	108.3	R238	R238-V312 HydrophobicContact CG-CG2 4.27Å
313	R	80.4	Confident	68.2	Low	69 Å²	69	77.6 Å²	77.6	26%	0.26	45%	0.445	S	S	.	.			trans	-72.7	137.9	173.1	-68	-51.5	-149.2	112.3	-12.6	110.5	D212 F215 T239 E315 L316	D212-R313 IonicContact OD1-CZ 2.69Å; D212-R313 VanDerWaalsContact OD1-CZ 3.29Å; D212-R313 IonicContact OD1-NE 3.59Å; D212-R313 PolarHBondContact OD1-NE 3.17Å; D212-R313 IonicContact OD1-NH2 2.76Å; D212-R313 PolarHBondContact OD1-NH2 2.93Å; D212-R313 IonicContact OD2-CZ 2.67Å; D212-R313 IonicContact OD2-NE 2.77Å; D212-R313 IonicContact OD2-NH2 3.23Å; D212-R313 PolarHBondContact OD2-NH2 3.25Å; F215-R313 HydrophobicContact CD1-CB 4.5Å; F215-R313 HydrophobicContact CD1-CG 3.96Å; F215-R313 HydrophobicContact CE1-CB 3.76Å; F215-R313 HydrophobicContact CE1-CG 3.71Å; F215-R313 HydrophobicContact CZ-CB 4.17Å; F215-R313 HydrophobicContact CZ-CG 4.33Å; T239-R313 HydrophobicContact CG2-CG 3.76Å; T239-R313 PolarHBondContact OG1-NE 3.47Å; R313-E315 PolarHBondContact O-N 2.94Å; R313-E315 VanDerWaalsContact O-N 3.13Å; R313-L316 PolarHBondContact O-N 3.36Å
314	A	64.4	Low	65.2	Low	96 Å²	96	82.9 Å²	82.9	79%	0.793	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-58.4	-27.3	-178.4	0	0	0	0	0	113.5	L316 G317	A314-L316 PolarHBondContact O-N 3.27Å; A314-G317 PolarHBondContact O-N 3.26Å
315	E	62.6	Low	62.2	Low	105 Å²	105	86.5 Å²	86.5	49%	0.491	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-58.7	-24.4	173.4	-66.7	154.2	-178.1	0	0	113	F215 L219 R313	F215-E315 WeakPolarHBondContact CE1-OE2 3.43Å; L219-E315 HydrophobicContact CD1-CB 4.04Å; L219-E315 WeakPolarHBondContact CD1-OE2 3.23Å; R313-E315 PolarHBondContact O-N 2.94Å; R313-E315 VanDerWaalsContact O-N 3.13Å
316	L	63.5	Low	59.2	Low	27 Å²	27	88 Å²	88	14%	0.141	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-97	-4.3	174.2	-63.6	171.4	0	0	0	113.6	F215 L219 L229 V237 R313 A314 T318	F215-L316 HydrophobicContact CE2-CD1 3.85Å; F215-L316 HydrophobicContact CZ-CD1 3.6Å; F215-L316 HydrophobicContact CZ-CD2 4.38Å; F215-L316 HydrophobicContact CZ-CG 3.86Å; L219-L316 HydrophobicContact CD2-CD2 3.91Å; L229-L316 HydrophobicContact CB-CD2 4.03Å; L229-L316 HydrophobicContact CD1-CD2 3.59Å; L229-L316 HydrophobicContact CG-CD2 4.47Å; V237-L316 HydrophobicContact CB-CD1 3.8Å; V237-L316 HydrophobicContact CG1-CD1 4.14Å; V237-L316 VanDerWaalsContact O-CD1 3.27Å; V237-L316 WeakPolarHBondContact O-CD1 3.48Å; R313-L316 PolarHBondContact O-N 3.36Å; A314-L316 PolarHBondContact O-N 3.27Å; L316-T318 PolarHBondContact O-N 3.29Å
317	G	44.3	Very low	56.1	Low	38 Å²	38	93 Å²	93	39%	0.392	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-71.9	120.5	-177	0	0	0	0	0	112.2	Q230 A314	Q230-G317 PolarHBondContact NE2-O 3.01Å; A314-G317 PolarHBondContact O-N 3.26Å
318	T	44.2	Very low	53.3	Low	89 Å²	89	102.2 Å²	102.2	55%	0.546	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-76.5	130.4	169.4	47.1	0	0	0	0	110.9	Q230 L316 L320	Q230-T318 HydrophobicContact CB-CG2 3.86Å; Q230-T318 HydrophobicContact CG-CG2 4.12Å; L316-T318 PolarHBondContact O-N 3.29Å; T318-L320 PolarHBondContact O-N 3.26Å
319	P	36.5	Very low	50.4	Low	115 Å²	115	111 Å²	111	75%	0.747	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-67.2	121.6	166.6	28.5	-32.4	0	0	0	109.4	E321	P319-E321 PolarHBondContact O-N 3.36Å
320	L	36.4	Very low	47.5	Very low	173 Å²	173	108.7 Å²	108.7	91%	0.906	65%	0.646	S	S	*	*			trans	-83.9	98.1	177.2	-172.3	69.5	0	0	0	109.6	T318 G322	T318-L320 PolarHBondContact O-N 3.26Å; L320-G322 PolarHBondContact O-N 2.83Å
321	E	34.5	Very low	44.5	Very low	199 Å²	199	117.4 Å²	117.4	93%	0.93	69%	0.686	S	S	*	*			trans	-75.6	119.7	-178.5	-169.8	169.7	-137.9	0	0	111.3	P319	P319-E321 PolarHBondContact O-N 3.36Å
322	G	29	Very low	41.9	Very low	64 Å²	64	122 Å²	122	66%	0.66	70%	0.704	S	S	*	*			trans	-171.8	40.1	-164.7	0	0	0	0	0	118.9	L320	L320-G322 PolarHBondContact O-N 2.83Å
323	T	30.3	Very low	39.1	Very low	137 Å²	137	126.4 Å²	126.4	84%	0.84	72%	0.722	S	S	*	*	S	Bend	trans	111.5	123.9	162.4	-49.6	0	0	0	0	118.5
324	S	30.9	Very low	36.6	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	75%	0.748	S	S	*	*			trans	78.7	142.1	160.3	72.9	0	0	0	0	119.5
325	N	29.1	Very low	34.8	Very low	160 Å²	160	131.5 Å²	131.5	86%	0.856	75%	0.749	S	S	*	*			trans	-116.9	146.3	-169.2	-53	-39.6	0	0	0	111.5
326	S	27.9	Very low	32.9	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	77%	0.765	S	S	*	*				-172.9	152.9	129.5	50.4	0	0	0	0	113.3
327	S	26.8	Very low	31.2	Very low	117 Å²	117	144 Å²	144	82%	0.818	80%	0.798	S	S	*	*			trans	60.2	107.5	160.6	-60.3	0	0	0	0	120.2
328	F	35.1	Very low	30.5	Very low	199 Å²	199	151.2 Å²	151.2	87%	0.873	82%	0.821	S	S	*	*			trans	-67.3	138.1	145.3	-72	-104.1	0	0	0	109.9
329	F	28.3	Very low	29.7	Very low	218 Å²	218	152.3 Å²	152.3	96%	0.956	83%	0.832	S	S	*	*				-163.2	145.8	123.2	-95.9	-65.1	0	0	0	108.4
330	G	28.8	Very low	29.4	Very low	77 Å²	77	151 Å²	151	79%	0.794	83%	0.831	S	S	*	*			trans	-93.4	142.2	-167.6	0	0	0	0	0	114.4
331	Q	27.9	Very low	29.2	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.883	82%	0.824	S	S	*	*			trans	-148.9	147.5	160.1	-109	175.5	-3.4	0	0	110	M333	Q331-M333 PolarHBondContact O-N 3.24Å
332	H	33.6	Very low	29	Very low	186 Å²	186	148.7 Å²	148.7	86%	0.861	82%	0.823	S	S	*	*			trans	-63.4	126.6	165.8	-89.2	-127.4	0	0	0	109.3
333	M	27.3	Very low	29	Very low	171 Å²	171	152.8 Å²	152.8	84%	0.842	83%	0.828	S	S	*	*			trans	-144.7	152.5	154.5	-92.5	-53.6	148.1	0	0	112.7	Q331	Q331-M333 PolarHBondContact O-N 3.24Å
334	L	28.2	Very low	28.9	Very low	155 Å²	155	149.9 Å²	149.9	81%	0.812	83%	0.825	S	S	*	*			trans	-63.8	153.3	-168.8	-64.1	154.1	0	0	0	113.6	R336	L334-R336 PolarHBondContact O-N 2.89Å
335	S	25.1	Very low	28.9	Very low	117 Å²	117	154.7 Å²	154.7	82%	0.818	83%	0.826	S	S	*	*			trans	-65	102.2	171.8	-171.3	0	0	0	0	110.3
336	R	23.5	Very low	29	Very low	217 Å²	217	154.9 Å²	154.9	82%	0.819	83%	0.827	S	S	*	*			trans	-87.8	116.1	-179	-163.1	175.6	-162.1	164.1	7.4	109.8	L334 H338	L334-R336 PolarHBondContact O-N 2.89Å; R336-H338 PolarHBondContact O-CD2 2.86Å; R336-H338 PolarHBondContact O-N 3.23Å; R336-H338 VanDerWaalsContact O-N 3.16Å
337	H	27.6	Very low	29.3	Very low	178 Å²	178	155.9 Å²	155.9	82%	0.824	82%	0.823	S	S	*	*			trans	-58.3	119.6	173.2	-67.2	-86.8	0	0	0	110.2	S339	H337-S339 PolarHBondContact O-N 3.44Å
338	H	28.7	Very low	29.7	Very low	189 Å²	189	159.6 Å²	159.6	88%	0.875	83%	0.828	S	S	*	*			trans	-78.4	109.9	178.4	-79.5	-87.7	0	0	0	110.5	R336	R336-H338 PolarHBondContact O-CD2 2.86Å; R336-H338 PolarHBondContact O-N 3.23Å; R336-H338 VanDerWaalsContact O-N 3.16Å
339	S	27.9	Very low	29.5	Very low	113 Å²	113	157.1 Å²	157.1	79%	0.79	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-72.9	147.4	169.2	47.3	0	0	0	0	111.4	H337	H337-S339 PolarHBondContact O-N 3.44Å
340	A	30.5	Very low	29.6	Very low	86 Å²	86	158.7 Å²	158.7	71%	0.711	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-63.2	147.2	178.8	0	0	0	0	0	112.1	K342	A340-K342 PolarHBondContact O-N 2.93Å
341	P	32.5	Very low	29.6	Very low	119 Å²	119	162.3 Å²	162.3	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.6	122.8	-175.5	27.3	-34.5	0	0	0	111.9	I343	P341-I343 PolarHBondContact O-N 3.16Å
342	K	30	Very low	29.6	Very low	206 Å²	206	159.4 Å²	159.4	90%	0.896	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.5	121.1	172	-70.1	178.6	178.9	174.3	0	109.9	A340 G344	A340-K342 PolarHBondContact O-N 2.93Å; K342-G344 PolarHBondContact O-N 3.05Å
343	I	28.9	Very low	29.5	Very low	150 Å²	150	157.6 Å²	157.6	77%	0.769	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-63.4	122.5	168.3	-111	69.9	0	0	0	109.2	P341 R345	P341-I343 PolarHBondContact O-N 3.16Å; I343-R345 HydrophobicContact CG2-CG 4.38Å
344	G	28.4	Very low	29.4	Very low	76 Å²	76	155.8 Å²	155.8	78%	0.784	80%	0.801	S	S	*	*			trans	-100.1	109	172.9	0	0	0	0	0	110.6	K342	K342-G344 PolarHBondContact O-N 3.05Å
345	R	31.3	Very low	29.4	Very low	211 Å²	211	154.3 Å²	154.3	80%	0.796	80%	0.798	S	S	*	*			trans	-96.2	113.8	167	-73.3	-170.8	179.8	179.5	-0.3	109.6	I343	I343-R345 HydrophobicContact CG2-CG 4.38Å
346	N	31.4	Very low	29.6	Very low	164 Å²	164	152.9 Å²	152.9	88%	0.877	79%	0.793	S	S	*	*			trans	-119.5	91.2	166.6	-92.1	-6.5	0	0	0	108.8
347	D	33.8	Very low	29.6	Very low	135 Å²	135	148.8 Å²	148.8	72%	0.722	79%	0.788	S	S	*	*			trans	-89.4	122.2	168.5	-68.4	-58.5	0	0	0	109.5
348	H	35.1	Very low	29.5	Very low	196 Å²	196	152.6 Å²	152.6	91%	0.907	80%	0.795	S	S	*	*			trans	-142.4	88.8	162.6	-95.8	85.7	0	0	0	111.2
349	M	31.3	Very low	29.5	Very low	146 Å²	146	152.2 Å²	152.2	72%	0.719	79%	0.791	S	S	*	*			trans	-27.2	137.6	167.8	-69.2	-102	-74.1	0	0	117.3
350	R	30.5	Very low	29.4	Very low	252 Å²	252	153.7 Å²	153.7	95%	0.951	80%	0.795	S	S	*	*				-145.3	136.4	128.4	-72.5	-155.8	174.3	-127.9	-6.3	111.4
351	H	29.1	Very low	29.1	Very low	153 Å²	153	153 Å²	153	71%	0.708	80%	0.797	S	S	*	*			trans	-78.5	160	166.8	-68.6	-110.3	0	0	0	110.9
352	T	27	Very low	28.8	Very low	128 Å²	128	157 Å²	157	79%	0.785	81%	0.805	S	S	*	*				178.9	136.7	121.2	-73.6	0	0	0	0	111.7
353	L	30.9	Very low	28.5	Very low	148 Å²	148	154.9 Å²	154.9	78%	0.775	80%	0.8	S	S	*	*			trans	-0.1	153.5	152.1	-60.8	171.2	0	0	0	120.6
354	D	26.8	Very low	28.4	Very low	132 Å²	132	154.4 Å²	154.4	71%	0.706	80%	0.799	S	S	*	*			cis	-176.5	175.6	-19.7	-154.5	-12.2	0	0	0	109.6
355	V	27.6	Very low	28.3	Very low	124 Å²	124	156.4 Å²	156.4	75%	0.752	80%	0.801	S	S	*	*			trans	70.5	147.6	150.8	162.6	0	0	0	0	120.8
356	A	28.2	Very low	28	Very low	87 Å²	87	150.2 Å²	150.2	72%	0.719	80%	0.803	S	S	*	*			trans	82.8	84	166.9	0	0	0	0	0	117.4
357	N	24.7	Very low	27.9	Very low	132 Å²	132	149.2 Å²	149.2	71%	0.706	80%	0.803	S	S	*	*				77.2	99.6	66.6	-177	38.9	0	0	0	115.1
358	W	25.1	Very low	27.6	Very low	257 Å²	257	153.1 Å²	153.1	97%	0.973	81%	0.808	S	S	*	*			trans	-135.4	115.5	144.2	-84.2	86.8	0	0	0	109.5
359	K	28.8	Very low	27.2	Very low	181 Å²	181	149 Å²	149	79%	0.787	79%	0.792	S	S	*	*			trans	-150.6	142.9	172.6	-155.5	179.6	-170.7	-178.7	0	109.4
360	T	25.1	Very low	27	Very low	144 Å²	144	153 Å²	153	88%	0.883	80%	0.799	S	S	*	*			trans	77.5	134.9	-180	-31.6	0	0	0	0	113.8
361	G	24.2	Very low	26.9	Very low	72 Å²	72	148.1 Å²	148.1	74%	0.742	79%	0.792	S	S	*	*			trans	169.7	-14.7	173.2	0	0	0	0	0	120.7	M363	G361-M363 PolarHBondContact O-N 3.21Å
362	E	25.9	Very low	27	Very low	204 Å²	204	148.8 Å²	148.8	95%	0.953	80%	0.798	S	S	*	*			trans	-83.4	115.2	174.9	-76.8	-159.7	143.3	0	0	111.8
363	M	25.3	Very low	27.1	Very low	160 Å²	160	152.2 Å²	152.2	79%	0.788	80%	0.803	S	S	*	*			trans	-156.2	138.8	169.4	-172.6	170.6	177.6	0	0	110.4	G361	G361-M363 PolarHBondContact O-N 3.21Å
364	N	26.9	Very low	26.8	Very low	141 Å²	141	154.6 Å²	154.6	75%	0.754	81%	0.81	S	S	*	*			trans	70	142.4	176.1	-60.3	-25.1	0	0	0	115.8
365	S	25.8	Very low	26.7	Very low	118 Å²	118	152.1 Å²	152.1	83%	0.825	82%	0.815	S	S	*	*			cis	-157.5	148.1	-2.4	46.4	0	0	0	0	111.6
366	G	24.7	Very low	26.7	Very low	80 Å²	80	149.7 Å²	149.7	83%	0.825	82%	0.816	S	S	*	*			trans	-173.9	96.5	173.1	0	0	0	0	0	113.4
367	T	29.3	Very low	26.8	Very low	144 Å²	144	152.8 Å²	152.8	88%	0.883	82%	0.818	S	S	*	*			trans	-79.8	136	-178.1	-41.5	0	0	0	0	111.9
368	R	27.4	Very low	26.8	Very low	216 Å²	216	155.4 Å²	155.4	82%	0.815	82%	0.824	S	S	*	*				147.2	135.4	117.5	-170.3	165.2	-168.1	155.5	6.9	117
369	D	27.4	Very low	26.9	Very low	110 Å²	110	150.9 Å²	150.9	59%	0.588	82%	0.818	S	S	*	*			trans	62.3	121.5	158.8	-85.9	-66.8	0	0	0	122.1
370	R	26.7	Very low	26.7	Very low	230 Å²	230	147.4 Å²	147.4	87%	0.868	82%	0.817	S	S	*	*			trans	64.6	140.5	145	-68.1	178.1	-178.5	-144.2	-3.6	118.8
371	L	27.9	Very low	27	Very low	150 Å²	150	146.4 Å²	146.4	79%	0.785	81%	0.812	S	S	*	*			cis	-161.7	146.9	2.7	-178.8	80.5	0	0	0	108.4
372	I	30.8	Very low	27.1	Very low	166 Å²	166	150.8 Å²	150.8	85%	0.851	82%	0.818	S	S	*	*			trans	173.4	156.3	141.1	-92.3	155.2	0	0	0	109.6
373	K	29.3	Very low	27.2	Very low	201 Å²	201	149.4 Å²	149.4	87%	0.874	81%	0.814	S	S	*	*			trans	-92.3	151.5	-173.5	-83.3	-172.8	172.2	-175.1	0	114.3
374	E	25.7	Very low	27.3	Very low	197 Å²	197	150.4 Å²	150.4	92%	0.921	81%	0.813	S	S	*	*			trans	-74.6	166.1	169.5	-58.3	163.9	96.3	0	0	113.8
375	G	24.4	Very low	27.1	Very low	80 Å²	80	149.6 Å²	149.6	83%	0.825	81%	0.814	S	S	*	*			trans	-149.9	120.1	151.4	0	0	0	0	0	110.4
376	G	27.8	Very low	27	Very low	74 Å²	74	148.7 Å²	148.7	76%	0.763	81%	0.807	S	S	*	*			trans	-88.4	-170.3	167	0	0	0	0	0	112.1
377	I	29.1	Very low	27.2	Very low	151 Å²	151	152.8 Å²	152.8	77%	0.774	81%	0.805	S	S	*	*			cis	-163.7	149.7	1.6	-129.5	174.8	0	0	0	109.7
378	F	25.2	Very low	27.2	Very low	187 Å²	187	153.5 Å²	153.5	82%	0.82	80%	0.803	S	S	*	*			trans	71.7	156.6	159.4	-93.4	-113.8	0	0	0	124.2
379	L	27.8	Very low	27.1	Very low	162 Å²	162	150.4 Å²	150.4	85%	0.848	80%	0.797	S	S	*	*			trans	83.2	148.4	164.5	-69.8	166.6	0	0	0	120.6
380	S	24.2	Very low	27.1	Very low	109 Å²	109	154.5 Å²	154.5	76%	0.762	81%	0.811	S	S	*	*			trans	-108.6	-177.7	-164.6	-33.8	0	0	0	0	111.6
381	P	32.3	Very low	27	Very low	122 Å²	122	152.8 Å²	152.8	79%	0.792	81%	0.812	S	S	*	*			cis	-130.8	140.2	-8.8	36.5	-19.9	0	0	0	114.5
382	L	26.3	Very low	26.9	Very low	165 Å²	165	151.8 Å²	151.8	86%	0.864	81%	0.812	S	S	*	*			trans	-159.2	129.1	166.2	-158.8	62.8	0	0	0	114.1
383	M	27.1	Very low	26.8	Very low	175 Å²	175	152.2 Å²	152.2	86%	0.862	82%	0.816	S	S	*	*			trans	-97.4	130.4	153.9	-76.8	-178.5	153.5	0	0	106.8
384	K	26.7	Very low	26.8	Very low	180 Å²	180	149.7 Å²	149.7	78%	0.783	81%	0.812	S	S	*	*				62.8	120.3	52.3	-65.4	-166.3	176.4	-174.7	0	112.5
385	T	23.7	Very low	27	Very low	125 Å²	125	148.5 Å²	148.5	77%	0.767	81%	0.806	S	S	*	*			cis	-155.2	160.8	-3.3	-10.6	0	0	0	0	110.9
386	S	23.9	Very low	27.3	Very low	98 Å²	98	152.9 Å²	152.9	69%	0.685	81%	0.807	S	S	*	*			trans	-18.3	119.9	165	53	0	0	0	0	119
387	Q	27.3	Very low	27.4	Very low	167 Å²	167	157.3 Å²	157.3	78%	0.78	81%	0.814	S	S	*	*				-163.9	148.8	122.6	-108.3	157.8	-76.5	0	0	108.7	E389	Q387-E389 PolarHBondContact NE2-OE2 3.23Å
388	L	30.9	Very low	27.6	Very low	158 Å²	158	157.4 Å²	157.4	83%	0.827	82%	0.815	S	S	*	*			trans	-142.8	67	177.2	-154.8	168.1	0	0	0	108
389	E	24.4	Very low	27.9	Very low	151 Å²	151	159.3 Å²	159.3	71%	0.706	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-94.3	147.2	172.9	-76.5	169	112.3	0	0	109.6	Q387	Q387-E389 PolarHBondContact NE2-OE2 3.23Å
390	F	27.7	Very low	28.1	Very low	197 Å²	197	161.6 Å²	161.6	86%	0.864	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-76.6	127.7	-179.9	-94.9	-109	0	0	0	110.4
391	E	24.8	Very low	28.5	Very low	193 Å²	193	166.5 Å²	166.5	90%	0.902	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.9	131.2	-176.9	-162.7	164.5	-145.9	0	0	111.3
392	T	25.4	Very low	28.4	Very low	129 Å²	129	168.9 Å²	168.9	79%	0.791	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-81.7	119.6	-174.8	47.5	0	0	0	0	111.8	D394	T392-D394 PolarHBondContact O-N 3.02Å
393	L	28.3	Very low	28.7	Very low	175 Å²	175	165.5 Å²	165.5	92%	0.916	81%	0.812	S	S	*	*			trans	-86.8	81.9	175.1	-173.2	69.7	0	0	0	111.5
394	D	30.3	Very low	28.7	Very low	149 Å²	149	167.3 Å²	167.3	80%	0.797	81%	0.81	S	S	*	*			trans	-145	80.5	171.4	-174.6	23.3	0	0	0	112.2	T392	T392-D394 PolarHBondContact O-N 3.02Å
395	E	28.6	Very low	28.9	Very low	172 Å²	172	163 Å²	163	80%	0.804	81%	0.808	S	S	*	*			trans	-156	66.5	165.3	-152.6	177.9	-148.4	0	0	114.2
396	M	31.2	Very low	28.8	Very low	172 Å²	172	167.9 Å²	167.9	85%	0.847	81%	0.813	S	S	*	*			trans	-141.5	62.9	172.2	-68.4	-163.3	-171.1	0	0	114.7
397	N	31.2	Very low	29	Very low	167 Å²	167	170.5 Å²	170.5	89%	0.893	81%	0.814	S	S	*	*			trans	-156.7	47.6	165.3	-109	-42.2	0	0	0	116.8
398	L	33.2	Very low	28.9	Very low	153 Å²	153	169.2 Å²	169.2	80%	0.801	82%	0.818	S	S	*	*			trans	-101	84.6	175.7	-75.2	177.2	0	0	0	114.1
399	R	29.8	Very low	28.6	Very low	226 Å²	226	169.7 Å²	169.7	85%	0.853	82%	0.816	S	S	*	*			trans	-170.4	82.5	148.4	-106.6	152.7	-165.3	-104.4	1.4	114.4
400	K	32.1	Very low	28.7	Very low	210 Å²	210	170.1 Å²	170.1	91%	0.913	82%	0.823	S	S	*	*			trans	-89.6	128.6	160.4	-151.9	167	-171.6	170.6	0	108.4
401	R	33.9	Very low	28.7	Very low	213 Å²	213	163.9 Å²	163.9	80%	0.804	82%	0.815	S	S	*	*			trans	-133.5	151.8	169.4	-85	-165.4	171.3	-160.9	-3.6	110.7
402	H	30.3	Very low	28.7	Very low	172 Å²	172	161 Å²	161	80%	0.796	81%	0.814	S	S	*	*			trans	-75.5	153.2	-149.9	-57.2	-90.1	0	0	0	115.6
403	S	31.4	Very low	28.8	Very low	93 Å²	93	162.7 Å²	162.7	65%	0.65	82%	0.816	S	S	*	*			trans	11.5	141.7	135.3	-40.9	0	0	0	0	119.1
404	Y	28.3	Very low	29.1	Very low	214 Å²	214	159.7 Å²	159.7	84%	0.839	81%	0.807	S	S	*	*				-151.4	122.9	101.2	-92	-73	0	0	0	109.3	W406	Y404-W406 HydrophobicContact CD1-CZ3 4.38Å
405	A	29.3	Very low	28.9	Very low	89 Å²	89	160.4 Å²	160.4	74%	0.736	81%	0.806	S	S	*	*			trans	-81.6	158.7	154.2	0	0	0	0	0	108
406	W	23	Very low	28.8	Very low	228 Å²	228	159 Å²	159	86%	0.864	80%	0.804	S	S	*	*			trans	-137.7	141.8	155.5	-141.1	-74.1	0	0	0	110.4	Y404	Y404-W406 HydrophobicContact CD1-CZ3 4.38Å
407	E	27.6	Very low	28.7	Very low	152 Å²	152	158.1 Å²	158.1	71%	0.71	81%	0.808	S	S	*	*			trans	-85.3	150.1	-172.6	-178.1	172.8	-156.4	0	0	111
408	T	25.9	Very low	28.6	Very low	140 Å²	140	161.8 Å²	161.8	86%	0.859	81%	0.81	S	S	*	*			trans	-118.6	103.9	169.1	48.7	0	0	0	0	109.4
409	Q	24.6	Very low	29.3	Very low	169 Å²	169	160.3 Å²	160.3	79%	0.79	81%	0.809	S	S	*	*			trans	-84.6	169.7	156.1	-100.3	-176.3	-5	0	0	110.7
410	D	26	Very low	29.2	Very low	159 Å²	159	161.3 Å²	161.3	85%	0.85	81%	0.813	S	S	*	*			trans	-71.9	167.9	-162	-52.8	-91.2	0	0	0	116
411	G	27.2	Very low	28.9	Very low	67 Å²	67	154.5 Å²	154.5	69%	0.691	80%	0.803	S	S	*	*			trans	101.3	107.7	139.4	0	0	0	0	0	118
412	C	24.8	Very low	28.8	Very low	132 Å²	132	150 Å²	150	89%	0.892	80%	0.803	S	S	*	*			trans	67.5	131	142.2	-61.4	0	0	0	0	121
413	I	26.9	Very low	28.8	Very low	164 Å²	164	149 Å²	149	84%	0.841	80%	0.804	S	S	*	*			trans	-77.7	136.9	169.7	-70.8	161	0	0	0	109.7
414	P	35.4	Very low	28.7	Very low	112 Å²	112	155.1 Å²	155.1	73%	0.727	81%	0.813	S	S	*	*				-143.2	137	114.2	23.9	-2.9	0	0	0	117.3
415	H	26.4	Very low	28.9	Very low	164 Å²	164	152.5 Å²	152.5	76%	0.759	81%	0.814	S	S	*	*			trans	52.7	110.2	145.6	-67.6	-69.8	0	0	0	124.1
416	N	27.2	Very low	28.9	Very low	142 Å²	142	155.4 Å²	155.4	76%	0.759	82%	0.815	S	S	*	*				26.6	126.9	126.7	-69.9	-16.7	0	0	0	121.2
417	T	28.8	Very low	28.9	Very low	155 Å²	155	151.3 Å²	151.3	95%	0.951	81%	0.806	S	S	*	*				-165	-178.2	109.5	15.2	0	0	0	0	113.5
418	R	28.3	Very low	29	Very low	244 Å²	244	153.1 Å²	153.1	92%	0.921	81%	0.806	S	S	*	*			trans	-95.7	166.5	-160.8	-105.5	-174	165.9	176.2	-3.9	115.7
419	P	48.7	Very low	29	Very low	122 Å²	122	151.6 Å²	151.6	79%	0.792	79%	0.793	S	S	*	*			trans	-100.6	168.3	-167.6	40.2	-37.6	0	0	0	116.2
420	R	26.4	Very low	29.2	Very low	247 Å²	247	148.5 Å²	148.5	93%	0.932	79%	0.79	S	S	*	*			trans	-163.2	141.9	167.7	-162.3	177.2	-172.4	178.2	2.3	108.8
421	G	27.3	Very low	29.2	Very low	67 Å²	67	145.9 Å²	145.9	69%	0.691	78%	0.784	S	S	*	*			cis	133.3	91.7	-13.7	0	0	0	0	0	114.5
422	S	30.6	Very low	29.2	Very low	117 Å²	117	150.3 Å²	150.3	82%	0.818	79%	0.79	S	S	*	*			trans	-175	147.3	159.2	48.5	0	0	0	0	113.3
423	N	30.9	Very low	29.2	Very low	152 Å²	152	150.8 Å²	150.8	81%	0.813	78%	0.783	S	S	*	*			trans	-80.5	167.9	168.4	-54.2	-20.6	0	0	0	111
424	W	29.7	Very low	30.1	Very low	222 Å²	222	147.7 Å²	147.7	84%	0.841	77%	0.774	S	S	*	*				-160.7	144.2	129	-92.8	113.8	0	0	0	111.5	I426	W424-I426 HydrophobicContact CE3-CD1 4.23Å; W424-I426 HydrophobicContact CE3-CG1 4.04Å
425	N	32.6	Very low	29.9	Very low	159 Å²	159	149.1 Å²	149.1	85%	0.85	77%	0.77	S	S	*	*			trans	-135.7	129.8	164.8	-116.2	-11.8	0	0	0	106.1
426	I	28.5	Very low	30	Very low	150 Å²	150	145.9 Å²	145.9	77%	0.769	76%	0.758	S	S	*	*			trans	-134.8	151.9	177.8	-65.5	-176.2	0	0	0	108.8	W424	W424-I426 HydrophobicContact CE3-CD1 4.23Å; W424-I426 HydrophobicContact CE3-CG1 4.04Å
427	Q	23.4	Very low	30.1	Very low	141 Å²	141	148.9 Å²	148.9	66%	0.659	76%	0.761	S	S	*	*			trans	-134.9	142.9	-162.7	-174.2	-165.5	63.3	0	0	111.2
428	R	28.8	Very low	30	Very low	190 Å²	190	144.8 Å²	144.8	72%	0.717	74%	0.742	S	S	*	*			trans	67.6	167.2	163.3	-88.5	-179.5	-56.1	145.1	-10.1	115.7
429	D	27.6	Very low	30	Very low	109 Å²	109	141.1 Å²	141.1	58%	0.583	74%	0.738	S	S	*	*			cis	-153.6	160.3	9.6	-137.5	-41.4	0	0	0	113.5
430	S	27.9	Very low	29.1	Very low	104 Å²	104	141.3 Å²	141.3	73%	0.727	73%	0.732	S	S	*	*			trans	52	160.5	143.6	-72.5	0	0	0	0	122
431	S	25.4	Very low	29.3	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	72%	0.72	S	S	*	*			cis	-158.7	175	-5.5	42.7	0	0	0	0	108.4
432	I	27.9	Very low	29.3	Very low	161 Å²	161	142.4 Å²	142.4	83%	0.826	73%	0.726	S	S	*	*				-169	159.8	70	-77	-177.9	0	0	0	110.4
433	L	25.4	Very low	29.5	Very low	141 Å²	141	144.7 Å²	144.7	74%	0.738	73%	0.729	S	S	*	*			trans	-86.3	-151.9	180	-138.4	20.6	0	0	0	110.4
434	P	45.5	Very low	29.3	Very low	100 Å²	100	144.5 Å²	144.5	65%	0.649	72%	0.723	S	S	*	*			cis	-122.6	177.8	-15.1	14.1	13.4	0	0	0	113.7
435	H	30.1	Very low	29.3	Very low	142 Å²	142	140.9 Å²	140.9	66%	0.657	73%	0.725	S	S	*	*			cis	-164.8	176.9	-0.4	-101.7	-33.6	0	0	0	104.8
436	N	28.9	Very low	28.9	Very low	96 Å²	96	140.2 Å²	140.2	51%	0.513	72%	0.716	S	S	.	*			cis	-170.5	-179.4	-9	-100.8	-8.9	0	0	0	105.1
437	Y	29.1	Very low	28.9	Very low	205 Å²	205	139.9 Å²	139.9	80%	0.804	71%	0.712	S	S	*	*			cis	-167	169.5	-7.1	-102.8	-15.1	0	0	0	105
438	A	27.6	Very low	29.1	Very low	69 Å²	69	139.7 Å²	139.7	57%	0.57	71%	0.714	S	S	*	*			cis	-175.3	152.8	-31.3	0	0	0	0	0	109.1
439	M	28.8	Very low	29.2	Very low	166 Å²	166	139.5 Å²	139.5	82%	0.818	72%	0.721	S	S	*	*			trans	68.5	150.8	165.4	-57	-44.1	173.9	0	0	118.5
440	D	29.9	Very low	29.1	Very low	126 Å²	126	145.8 Å²	145.8	67%	0.674	74%	0.736	S	S	*	*			cis	-149.2	170.6	2.9	-133.8	-38.4	0	0	0	115.8
441	N	29.6	Very low	29.1	Very low	127 Å²	127	144.1 Å²	144.1	68%	0.679	74%	0.735	S	S	*	*			trans	-29.2	143.2	177.7	-79	-71.5	0	0	0	121.5
442	Y	28.1	Very low	29.6	Very low	211 Å²	211	148 Å²	148	83%	0.827	74%	0.742	S	S	*	*				-175.3	130.7	101.6	-96.3	-75.4	0	0	0	107.5
443	L	33.8	Very low	29.8	Very low	165 Å²	165	148.9 Å²	148.9	86%	0.864	74%	0.742	S	S	*	*				-155.5	153.7	66.7	-122.4	166.4	0	0	0	112.1
444	Q	27.2	Very low	30.2	Very low	147 Å²	147	151.5 Å²	151.5	69%	0.687	75%	0.753	S	S	*	*			trans	-124.3	126.9	-169.3	169.6	-165.4	-0.5	0	0	111.4
445	V	28.5	Very low	30	Very low	146 Å²	146	158.4 Å²	158.4	89%	0.885	77%	0.766	S	S	*	*			trans	-142.5	151.4	154.8	-176.2	0	0	0	0	108.6
446	Q	24.1	Very low	30.3	Very low	145 Å²	145	159.9 Å²	159.9	68%	0.678	77%	0.774	S	S	*	*			trans	-144.4	160.5	-164.4	-130	-170.4	12.8	0	0	112.3
447	Q	29.3	Very low	30.6	Very low	144 Å²	144	159 Å²	159	67%	0.673	78%	0.775	S	S	*	*			trans	76.7	157.6	143.2	-74.7	-93.2	-15.6	0	0	121.6
448	I	28.3	Very low	31.4	Very low	136 Å²	136	159.6 Å²	159.6	70%	0.697	78%	0.777	S	S	*	*			trans	67.6	118	159.3	-64.5	145.5	0	0	0	116.8
449	H	30.9	Very low	32.4	Very low	187 Å²	187	163 Å²	163	87%	0.866	79%	0.786	S	S	*	*			cis	75.3	152.7	46.8	-83.7	65.5	0	0	0	117.2
450	R	24.8	Very low	33.4	Very low	240 Å²	240	158.9 Å²	158.9	91%	0.906	79%	0.786	S	S	*	*			trans	85.3	78	156.8	-155.1	-177.6	-158.1	157.6	4.9	119.5
451	G	27.9	Very low	34.3	Very low	69 Å²	69	158.7 Å²	158.7	71%	0.711	79%	0.785	S	S	*	*				68.2	130.8	105.7	0	0	0	0	0	122.3
452	Q	36.1	Very low	35.1	Very low	185 Å²	185	157.2 Å²	157.2	86%	0.864	78%	0.777	S	S	*	*			trans	78.1	156.8	156.7	-62.4	-176.4	-19.6	0	0	119.2
453	H	31.5	Very low	36	Very low	179 Å²	179	155.9 Å²	155.9	83%	0.829	78%	0.775	S	S	*	*			trans	81.3	77	178.7	-53.5	-66.2	0	0	0	118.8
454	M	34.6	Very low	36.7	Very low	197 Å²	197	154.6 Å²	154.6	97%	0.97	77%	0.765	S	S	*	*			trans	-120	157.9	135	-98.7	-168.8	166.4	0	0	110.4
455	R	41.2	Very low	37.6	Very low	244 Å²	244	152.2 Å²	152.2	92%	0.921	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-75.9	148.4	-163.2	-75.9	173.8	164.9	-106.2	2.3	113.2
456	Q	36.2	Very low	38.3	Very low	173 Å²	173	150.5 Å²	150.5	81%	0.808	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-58.8	133.1	160.4	-66.5	162.4	-24.2	0	0	109.9
457	S	35.8	Very low	39.2	Very low	77 Å²	77	146.6 Å²	146.6	54%	0.538	73%	0.734	S	S	.	*	P	Polyproline II helix	trans	-79.1	131	166.7	40.6	0	0	0	0	109.8	N459	S457-N459 VanDerWaalsContact C-N 3.26Å; S457-N459 PolarHBondContact O-N 2.98Å
458	Y	44.9	Very low	39.8	Very low	219 Å²	219	146.4 Å²	146.4	86%	0.859	74%	0.735	S	S	*	*	S	Bend	trans	-77.1	78.5	170.6	-87.2	-108.2	0	0	0	109.6
459	N	48.5	Very low	40.7	Very low	139 Å²	139	146.2 Å²	146.2	74%	0.743	73%	0.731	S	S	*	*	S	Bend	trans	-178.3	105.6	154.3	-90.9	-24	0	0	0	108.5	S457 L461	S457-N459 VanDerWaalsContact C-N 3.26Å; S457-N459 PolarHBondContact O-N 2.98Å; N459-L461 PolarHBondContact O-N 3.11Å
460	G	49.7	Very low	41.4	Very low	81 Å²	81	145.1 Å²	145.1	84%	0.835	73%	0.726	S	S	*	*			trans	-77.6	76.6	-160.8	0	0	0	0	0	116.6
461	L	49.3	Very low	42.6	Very low	121 Å²	121	139.5 Å²	139.5	63%	0.634	71%	0.714	S	S	*	*			trans	-110.6	-5.5	175.7	-73.1	170.9	0	0	0	115.3	N459 K463 Q464	N459-L461 PolarHBondContact O-N 3.11Å; L461-K463 PolarHBondContact O-N 3.28Å; L461-Q464 PolarHBondContact O-N 2.95Å; L461-Q464 VanDerWaalsContact O-N 3.15Å
462	D	46.5	Very low	43.6	Very low	96 Å²	96	142.5 Å²	142.5	51%	0.513	71%	0.713	S	S	.	*	H	α-helix	trans	-56.4	-18.3	-176.6	-66.5	-21.8	0	0	0	115.2	Q464 V465 L466	D462-Q464 VanDerWaalsContact C-N 3.3Å; D462-Q464 PolarHBondContact O-N 3.43Å; D462-V465 PolarHBondContact O-N 3.42Å; D462-L466 PolarHBondContact O-N 3.35Å
463	K	46.6	Very low	44.3	Very low	184 Å²	184	136.5 Å²	136.5	80%	0.8	69%	0.69	S	S	*	*	H	α-helix	trans	-66	-26.4	178.4	-68.9	-174.2	178	-180	0	113.8	L461	L461-K463 PolarHBondContact O-N 3.28Å
464	Q	48.3	Very low	45.6	Very low	138 Å²	138	133.1 Å²	133.1	65%	0.645	68%	0.682	S	S	*	*	H	α-helix	trans	-80.7	-32.2	175.6	-77	178.7	-52.7	0	0	112.5	L461 D462 S467 M468	L461-Q464 PolarHBondContact O-N 2.95Å; L461-Q464 VanDerWaalsContact O-N 3.15Å; D462-Q464 VanDerWaalsContact C-N 3.3Å; D462-Q464 PolarHBondContact O-N 3.43Å; Q464-S467 PolarHBondContact O-OG 2.96Å; Q464-S467 VanDerWaalsContact O-OG 3.06Å; Q464-M468 PolarHBondContact O-N 3.22Å
465	V	47.3	Very low	46.5	Very low	97 Å²	97	131 Å²	131	59%	0.588	67%	0.674	S	S	*	*	H	α-helix	trans	-67.3	-42.7	177.8	-176.1	0	0	0	0	110.5	D462 S467 M468 Q469	D462-V465 PolarHBondContact O-N 3.42Å; V465-S467 PolarHBondContact O-N 3.21Å; V465-M468 PolarHBondContact O-N 3.17Å; V465-Q469 PolarHBondContact O-N 3.19Å
466	L	41.9	Very low	47.1	Very low	110 Å²	110	128.3 Å²	128.3	58%	0.576	67%	0.672	S	S	*	*	H	α-helix	trans	-67.9	-31.6	-179.9	-69.7	170.5	0	0	0	113.7	D462	D462-L466 PolarHBondContact O-N 3.35Å
467	S	43.1	Very low	47.8	Very low	62 Å²	62	128.3 Å²	128.3	43%	0.434	67%	0.669	S	S	.	*	H	α-helix	trans	-75.7	-32.2	178.9	62.7	0	0	0	0	113	Q464 V465 Q469	Q464-S467 PolarHBondContact O-OG 2.96Å; Q464-S467 VanDerWaalsContact O-OG 3.06Å; V465-S467 PolarHBondContact O-N 3.21Å; S467-Q469 VanDerWaalsContact C-N 3.34Å
468	M	41.6	Very low	48.9	Very low	141 Å²	141	127 Å²	127	70%	0.695	66%	0.658	S	S	*	*	H	α-helix	trans	-67.6	-34.7	172.2	-66.7	-160.1	78.7	0	0	112.3	Q464 V465 Q470	Q464-M468 PolarHBondContact O-N 3.22Å; V465-M468 PolarHBondContact O-N 3.17Å; M468-Q470 VanDerWaalsContact C-N 3.31Å; M468-Q470 PolarHBondContact O-N 3.01Å
469	Q	48.6	Very low	50	Low	131 Å²	131	119.4 Å²	119.4	61%	0.612	64%	0.637	S	S	*	*	H	α-helix	trans	-72.8	-20.7	-177.1	-159.4	169.9	17	0	0	113.7	V465 S467 N471 L472	V465-Q469 PolarHBondContact O-N 3.19Å; S467-Q469 VanDerWaalsContact C-N 3.34Å; Q469-N471 VanDerWaalsContact C-N 3.33Å; Q469-N471 PolarHBondContact O-N 2.92Å; Q469-L472 HydrophobicContact CG-CD1 4.45Å
470	Q	45	Very low	50.5	Low	164 Å²	164	122 Å²	122	77%	0.766	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-14.8	-179.7	-77.2	-174	-27.6	0	0	115.1	M468	M468-Q470 VanDerWaalsContact C-N 3.31Å; M468-Q470 PolarHBondContact O-N 3.01Å
471	N	49.5	Very low	50.7	Low	122 Å²	122	121.8 Å²	121.8	65%	0.652	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	20.8	-174.9	-72.1	-61.9	0	0	0	114.3	Q469 P473	Q469-N471 VanDerWaalsContact C-N 3.33Å; Q469-N471 PolarHBondContact O-N 2.92Å; N471-P473 VanDerWaalsContact O-CD 3.29Å; N471-P473 WeakPolarHBondContact O-CD 3.36Å
472	L	49.3	Very low	51.8	Low	132 Å²	132	120 Å²	120	69%	0.691	62%	0.615	S	S	*	*			trans	-84.7	111.6	173	-74.2	167.5	0	0	0	110.8	Q469	Q469-L472 HydrophobicContact CG-CD1 4.45Å
473	P	51.5	Low	53	Low	59 Å²	59	120 Å²	120	38%	0.383	61%	0.613	S	S	.	*			trans	-67.3	142.4	170.8	28.9	-33.7	0	0	0	110.1	N471 T478 F482	N471-P473 VanDerWaalsContact O-CD 3.29Å; N471-P473 WeakPolarHBondContact O-CD 3.36Å; P473-T478 HydrophobicContact CG-CG2 4.19Å; P473-F482 HydrophobicContact CG-CE1 3.73Å; P473-F482 HydrophobicContact CG-CZ 4.02Å
474	T	57.9	Low	53.8	Low	108 Å²	108	120 Å²	120	66%	0.663	61%	0.608	S	S	*	*			trans	-61.2	146.6	-178.6	40.5	0	0	0	0	112.7	E476 K477	T474-E476 PolarHBondContact O-N 3.38Å; T474-K477 PolarHBondContact O-N 3.17Å
475	L	53.3	Low	55.1	Low	153 Å²	153	116.9 Å²	116.9	80%	0.801	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-52	-26.2	-166	-168.2	66	0	0	0	115.1	K477 T478	L475-K477 PolarHBondContact O-N 3.33Å; L475-T478 PolarHBondContact O-OG1 2.93Å
476	E	53.3	Low	56	Low	188 Å²	188	118.1 Å²	118.1	88%	0.879	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-71.3	-11.5	-179.3	-58	-178.2	154.3	0	0	114.3	T474	T474-E476 PolarHBondContact O-N 3.38Å
477	K	52.1	Low	57.3	Low	172 Å²	172	120.5 Å²	120.5	75%	0.748	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-119.9	1.4	-177.5	-70.2	-177.6	179.1	174.2	0	115.1	T474 L475 S479	T474-K477 PolarHBondContact O-N 3.17Å; L475-K477 PolarHBondContact O-N 3.33Å; K477-S479 PolarHBondContact O-N 3.46Å
478	T	59.4	Low	58.7	Low	49 Å²	49	121.6 Å²	121.6	30%	0.301	59%	0.594	S	S	.	*			trans	-77.4	80.3	179.5	52.8	0	0	0	0	112.1	P473 L475 M483	P473-T478 HydrophobicContact CG-CG2 4.19Å; L475-T478 PolarHBondContact O-OG1 2.93Å; T478-M483 HydrophobicContact CG2-SD 4.27Å
479	S	67	Low	59.7	Low	60 Å²	60	118.7 Å²	118.7	42%	0.42	58%	0.578	S	S	.	*			trans	-56.4	145.8	169.1	175.1	0	0	0	0	111.4	K477 S481 F482 M483	K477-S479 PolarHBondContact O-N 3.46Å; S479-S481 PolarHBondContact O-N 3.33Å; S479-S481 PolarHBondContact OG-N 2.97Å; S479-S481 VanDerWaalsContact OG-N 3.15Å; S479-S481 PolarHBondContact OG-OG 3.26Å; S479-F482 WeakPolarHBondContact O-CB 3.48Å; S479-F482 PolarHBondContact O-N 2.71Å; S479-M483 PolarHBondContact O-N 3.4Å
480	K	58.3	Low	60.5	Low	195 Å²	195	114.8 Å²	114.8	85%	0.848	57%	0.566	S	S	*	*	H	α-helix	trans	-55.8	-33.5	169.9	-73.4	-175.1	177.2	-179.9	0	112.2	R484	K480-R484 WeakPolarHBondContact O-CB 3.44Å; K480-R484 PolarHBondContact O-N 2.84Å; K480-R484 VanDerWaalsContact O-N 3.09Å
481	S	55.7	Low	61.1	Low	76 Å²	76	115.5 Å²	115.5	53%	0.531	56%	0.563	S	S	.	*	H	α-helix	trans	-66.9	-45.5	174.2	57.7	0	0	0	0	111.7	S479 M483 R484 T485	S479-S481 PolarHBondContact O-N 3.33Å; S479-S481 PolarHBondContact OG-N 2.97Å; S479-S481 VanDerWaalsContact OG-N 3.15Å; S479-S481 PolarHBondContact OG-OG 3.26Å; S481-M483 PolarHBondContact O-N 3Å; S481-R484 WeakPolarHBondContact O-CB 3.5Å; S481-R484 PolarHBondContact O-N 2.67Å; S481-R484 VanDerWaalsContact O-N 3.12Å; S481-T485 PolarHBondContact O-N 2.67Å; S481-T485 PolarHBondContact O-OG1 2.89Å
482	F	71.8	Confident	62.1	Low	83 Å²	83	116.2 Å²	116.2	36%	0.364	57%	0.566	S	S	.	*	H	α-helix	trans	-58.4	-48.1	175.9	-179.7	-94.1	0	0	0	111.3	P473 S479 R484 T485 W486	P473-F482 HydrophobicContact CG-CE1 3.73Å; P473-F482 HydrophobicContact CG-CZ 4.02Å; S479-F482 WeakPolarHBondContact O-CB 3.48Å; S479-F482 PolarHBondContact O-N 2.71Å; F482-R484 VanDerWaalsContact C-N 3.26Å; F482-R484 PolarHBondContact O-N 3.47Å; F482-T485 PolarHBondContact O-N 3.35Å; F482-W486 AromaticContact CE1-CD1 3.78Å; F482-W486 HydrophobicContact CE1-CG 4.34Å; F482-W486 AromaticContact CZ-CD1 3.45Å; F482-W486 VanDerWaalsContact CZ-CD1 3.45Å; F482-W486 HydrophobicContact CZ-CG 4.39Å; F482-W486 WeakPolarHBondContact O-CB 3.28Å; F482-W486 PolarHBondContact O-N 2.77Å
483	M	71.1	Confident	62.2	Low	96 Å²	96	116.7 Å²	116.7	47%	0.473	56%	0.562	S	S	.	*	H	α-helix	trans	-63.7	-28.8	177.3	-66	-58.5	-65.8	0	0	113.3	T478 S479 S481 R487	T478-M483 HydrophobicContact CG2-SD 4.27Å; S479-M483 PolarHBondContact O-N 3.4Å; S481-M483 PolarHBondContact O-N 3Å; M483-R487 WeakPolarHBondContact O-CB 3.39Å; M483-R487 PolarHBondContact O-N 3.17Å
484	R	63.6	Low	62	Low	183 Å²	183	119.5 Å²	119.5	69%	0.691	57%	0.574	S	S	*	*	H	α-helix	trans	-72.7	-48.5	172.8	-172.9	179	-178.3	-179.3	0.8	111.1	K480 S481 F482 R487 I488	K480-R484 WeakPolarHBondContact O-CB 3.44Å; K480-R484 PolarHBondContact O-N 2.84Å; K480-R484 VanDerWaalsContact O-N 3.09Å; S481-R484 WeakPolarHBondContact O-CB 3.5Å; S481-R484 PolarHBondContact O-N 2.67Å; S481-R484 VanDerWaalsContact O-N 3.12Å; F482-R484 VanDerWaalsContact C-N 3.26Å; F482-R484 PolarHBondContact O-N 3.47Å; R484-R487 PolarHBondContact O-N 3.29Å; R484-I488 HydrophobicContact CG-CD1 3.97Å; R484-I488 WeakPolarHBondContact O-CG1 3.36Å; R484-I488 PolarHBondContact O-N 3.39Å
485	T	75.6	Confident	61.8	Low	73 Å²	73	118.8 Å²	118.8	45%	0.448	57%	0.571	S	S	.	*	H	α-helix	trans	-62.7	-45.9	178.1	-57.4	0	0	0	0	111.6	S481 F482 R487 I488 E489	S481-T485 PolarHBondContact O-N 2.67Å; S481-T485 PolarHBondContact O-OG1 2.89Å; F482-T485 PolarHBondContact O-N 3.35Å; T485-R487 VanDerWaalsContact C-N 3.3Å; T485-R487 PolarHBondContact O-N 2.93Å; T485-I488 PolarHBondContact O-N 3.31Å; T485-I488 VanDerWaalsContact O-N 3.13Å; T485-E489 HydrophobicContact CG2-CG 4.41Å; T485-E489 PolarHBondContact O-N 3.43Å
486	W	66.3	Low	61.3	Low	124 Å²	124	119 Å²	119	47%	0.47	57%	0.573	S	S	.	*	H	α-helix	trans	-62.7	-37.2	179.3	-145.4	99	0	0	0	111.8	F482 S490	F482-W486 AromaticContact CE1-CD1 3.78Å; F482-W486 HydrophobicContact CE1-CG 4.34Å; F482-W486 AromaticContact CZ-CD1 3.45Å; F482-W486 VanDerWaalsContact CZ-CD1 3.45Å; F482-W486 HydrophobicContact CZ-CG 4.39Å; F482-W486 WeakPolarHBondContact O-CB 3.28Å; F482-W486 PolarHBondContact O-N 2.77Å; W486-S490 WeakPolarHBondContact O-CB 3.47Å; W486-S490 PolarHBondContact O-N 2.73Å
487	R	70.3	Confident	60.7	Low	160 Å²	160	114.7 Å²	114.7	60%	0.604	57%	0.57	S	S	*	*	H	α-helix	trans	-64.9	-44.9	172.4	-173.6	-174.5	-58.5	163.7	0.9	112	M483 R484 T485 S490 Y491	M483-R487 WeakPolarHBondContact O-CB 3.39Å; M483-R487 PolarHBondContact O-N 3.17Å; R484-R487 PolarHBondContact O-N 3.29Å; T485-R487 VanDerWaalsContact C-N 3.3Å; T485-R487 PolarHBondContact O-N 2.93Å; R487-S490 PolarHBondContact O-N 3.26Å; R487-Y491 HydrophobicContact CG-CD2 4.19Å; R487-Y491 HydrophobicContact CG-CE2 3.72Å; R487-Y491 WeakPolarHBondContact O-CD2 3.49Å; R487-Y491 PolarHBondContact O-N 2.86Å
488	I	72.2	Confident	60.3	Low	85 Å²	85	112.4 Å²	112.4	44%	0.436	57%	0.572	S	S	.	*	H	α-helix	trans	-64.1	-47.7	178.3	-68.6	165	0	0	0	110.4	R484 T485 S490 Y491 L492	R484-I488 HydrophobicContact CG-CD1 3.97Å; R484-I488 WeakPolarHBondContact O-CG1 3.36Å; R484-I488 PolarHBondContact O-N 3.39Å; T485-I488 PolarHBondContact O-N 3.31Å; T485-I488 VanDerWaalsContact O-N 3.13Å; I488-S490 VanDerWaalsContact C-N 3.29Å; I488-S490 PolarHBondContact O-N 2.94Å; I488-Y491 PolarHBondContact O-N 3.1Å; I488-Y491 VanDerWaalsContact O-N 3.11Å; I488-L492 HydrophobicContact CG2-CD1 3.79Å; I488-L492 HydrophobicContact CG2-CG 4.41Å; I488-L492 WeakPolarHBondContact O-CG 3.26Å; I488-L492 PolarHBondContact O-N 3.19Å
489	E	61.2	Low	58.9	Low	79 Å²	79	114.8 Å²	114.8	37%	0.369	59%	0.591	S	S	.	*	H	α-helix	trans	-60.8	-35.8	174	-76	-171.5	-146.1	0	0	112.5	T485 Y491 L492 K493	T485-E489 HydrophobicContact CG2-CG 4.41Å; T485-E489 PolarHBondContact O-N 3.43Å; E489-Y491 VanDerWaalsContact C-N 3.26Å; E489-Y491 PolarHBondContact O-N 3.33Å; E489-L492 PolarHBondContact O-N 2.98Å; E489-K493 HydrophobicContact CB-CD 4.35Å; E489-K493 WeakPolarHBondContact O-CB 3.4Å; E489-K493 VanDerWaalsContact O-CG 3.31Å; E489-K493 WeakPolarHBondContact O-CG 3.46Å; E489-K493 PolarHBondContact O-N 2.59Å; E489-K493 WeakPolarHBondContact OE2-CE 3.27Å; E489-K493 IonicContact OE2-NZ 3.89Å; E489-K493 PolarHBondContact OE2-NZ 2.83Å
490	S	66.5	Low	57.3	Low	49 Å²	49	118.1 Å²	118.1	34%	0.343	61%	0.612	S	S	.	*	H	α-helix	trans	-67.7	-21.8	176.1	-172.8	0	0	0	0	113.7	W486 R487 I488 N494	W486-S490 WeakPolarHBondContact O-CB 3.47Å; W486-S490 PolarHBondContact O-N 2.73Å; R487-S490 PolarHBondContact O-N 3.26Å; I488-S490 VanDerWaalsContact C-N 3.29Å; I488-S490 PolarHBondContact O-N 2.94Å; S490-N494 PolarHBondContact O-ND2 3.44Å
491	Y	56.9	Low	56	Low	179 Å²	179	115.5 Å²	115.5	70%	0.702	61%	0.607	S	S	*	*	H	α-helix	trans	-86.2	-38.2	169.1	-71.3	-63	0	0	0	111.6	R487 I488 E489	R487-Y491 HydrophobicContact CG-CD2 4.19Å; R487-Y491 HydrophobicContact CG-CE2 3.72Å; R487-Y491 WeakPolarHBondContact O-CD2 3.49Å; R487-Y491 PolarHBondContact O-N 2.86Å; I488-Y491 PolarHBondContact O-N 3.1Å; I488-Y491 VanDerWaalsContact O-N 3.11Å; E489-Y491 VanDerWaalsContact C-N 3.26Å; E489-Y491 PolarHBondContact O-N 3.33Å
492	L	70.2	Confident	54.9	Low	137 Å²	137	117.3 Å²	117.3	72%	0.717	62%	0.615	S	S	*	*	H	α-helix	trans	-74.4	-22.9	-179.8	-65.7	173.5	0	0	0	114.2	I488 E489	I488-L492 HydrophobicContact CG2-CD1 3.79Å; I488-L492 HydrophobicContact CG2-CG 4.41Å; I488-L492 WeakPolarHBondContact O-CG 3.26Å; I488-L492 PolarHBondContact O-N 3.19Å; E489-L492 PolarHBondContact O-N 2.98Å
493	K	51.4	Low	52.9	Low	143 Å²	143	123.6 Å²	123.6	62%	0.622	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	0.3	-179.7	-73	173.4	171.7	169.1	0	114.6	E489 P495	E489-K493 HydrophobicContact CB-CD 4.35Å; E489-K493 WeakPolarHBondContact O-CB 3.4Å; E489-K493 VanDerWaalsContact O-CG 3.31Å; E489-K493 WeakPolarHBondContact O-CG 3.46Å; E489-K493 PolarHBondContact O-N 2.59Å; E489-K493 WeakPolarHBondContact OE2-CE 3.27Å; E489-K493 IonicContact OE2-NZ 3.89Å; E489-K493 PolarHBondContact OE2-NZ 2.83Å; K493-P495 VanDerWaalsContact C-CD 3.42Å; K493-P495 WeakPolarHBondContact O-CD 3.17Å
494	N	48.9	Very low	51	Low	118 Å²	118	125.4 Å²	125.4	63%	0.631	65%	0.654	S	S	*	*			trans	-123.2	71.1	177.1	-66.4	-65.7	0	0	0	111.2	S490	S490-N494 PolarHBondContact O-ND2 3.44Å
495	P	53.2	Low	49.5	Very low	92 Å²	92	125.6 Å²	125.6	60%	0.597	66%	0.656	S	S	*	*			trans	-65.4	160.3	155.7	32.9	-34.1	0	0	0	110.4	K493	K493-P495 VanDerWaalsContact C-CD 3.42Å; K493-P495 WeakPolarHBondContact O-CD 3.17Å
496	D	42.3	Very low	47.5	Very low	157 Å²	157	128.7 Å²	128.7	84%	0.84	67%	0.669	S	S	*	*			trans	72.3	95.5	162.1	-49.9	-27.2	0	0	0	119.6
497	A	41.5	Very low	45.9	Very low	99 Å²	99	128.9 Å²	128.9	82%	0.818	68%	0.679	S	S	*	*	S	Bend		-129.6	142.2	117	0	0	0	0	0	108.1
498	P	42.6	Very low	44	Very low	123 Å²	123	128 Å²	128	80%	0.799	68%	0.682	S	S	*	*			trans	-91.5	146.6	-145.3	33.1	-37.5	0	0	0	116.4
499	S	30.6	Very low	42.1	Very low	100 Å²	100	132.6 Å²	132.6	70%	0.699	70%	0.699	S	S	*	*			trans	-86.8	120.7	161	50.9	0	0	0	0	110.9	D501	S499-D501 PolarHBondContact O-N 3.41Å
500	P	34.1	Very low	40.8	Very low	130 Å²	130	136.6 Å²	136.6	84%	0.844	72%	0.718	S	S	*	*			trans	-89.8	74.7	177.9	35.7	-33.8	0	0	0	111.4
501	D	29.2	Very low	39	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	74%	0.742	S	S	*	*			trans	-96.2	133.2	170.4	-95.7	-41.8	0	0	0	111.7	S499	S499-D501 PolarHBondContact O-N 3.41Å
502	T	32.5	Very low	37.7	Very low	114 Å²	114	138 Å²	138	70%	0.699	74%	0.743	S	S	*	*			trans	47.2	110.7	152.7	-52.6	0	0	0	0	119.1
503	F	31.2	Very low	35.8	Very low	216 Å²	216	137.7 Å²	137.7	95%	0.947	74%	0.742	S	S	*	*				-155.8	167.9	124.7	-103.4	-63.2	0	0	0	111.4
504	D	30.4	Very low	34.8	Very low	133 Å²	133	139 Å²	139	71%	0.711	75%	0.748	S	S	*	*			trans	-122.1	170.1	-160	-157.7	-7.3	0	0	0	111.9
505	Y	33.2	Very low	33.9	Very low	188 Å²	188	137.6 Å²	137.6	74%	0.737	75%	0.752	S	S	*	*			trans	75.4	119.6	167.9	-91.5	-111.3	0	0	0	122.6
506	L	33.9	Very low	32.6	Very low	138 Å²	138	140.9 Å²	140.9	72%	0.723	77%	0.765	S	S	*	*			trans	46.1	111.6	132.2	-89.3	63.6	0	0	0	123.7
507	D	30.9	Very low	31.9	Very low	127 Å²	127	138.1 Å²	138.1	68%	0.679	76%	0.758	S	S	*	*				76.8	145.4	107.1	-152.5	29.2	0	0	0	124.1
508	Q	32.1	Very low	31.2	Very low	141 Å²	141	141.8 Å²	141.8	66%	0.659	76%	0.755	S	S	*	*			trans	79.1	117.6	156.8	-87.7	173.9	67.2	0	0	126.1
509	F	31.6	Very low	30.5	Very low	182 Å²	182	143 Å²	143	80%	0.798	75%	0.753	S	S	*	*			trans	83.4	154.7	137.5	-83.3	-59.1	0	0	0	124.7
510	E	33.9	Very low	30.5	Very low	164 Å²	164	147.3 Å²	147.3	77%	0.766	76%	0.761	S	S	*	*			trans	-109.1	158.4	-165.6	-54.7	171.6	104.9	0	0	113.3
511	T	28.7	Very low	30.1	Very low	137 Å²	137	144.3 Å²	144.3	84%	0.84	75%	0.754	S	S	*	*			trans	-172.2	122.1	143.5	10.8	0	0	0	0	106.4
512	V	29.8	Very low	30	Very low	120 Å²	120	147.2 Å²	147.2	73%	0.727	76%	0.763	S	S	*	*				59.4	109.7	58.6	-174.9	0	0	0	0	109.5
513	D	29.8	Very low	29.7	Very low	130 Å²	130	149.5 Å²	149.5	70%	0.695	77%	0.767	S	S	*	*				-164.7	176.4	54.8	-159.5	3.8	0	0	0	115.1
514	K	30.6	Very low	29.6	Very low	172 Å²	172	148.9 Å²	148.9	75%	0.748	76%	0.759	S	S	*	*			trans	80.4	74.2	156.1	-76.6	167.9	-173.1	169.8	0	123.5
515	A	28.9	Very low	29.3	Very low	88 Å²	88	151 Å²	151	73%	0.727	77%	0.77	S	S	*	*				58.9	143.6	104.5	0	0	0	0	0	124.9
516	N	26.8	Very low	28.9	Very low	160 Å²	160	146.8 Å²	146.8	86%	0.856	77%	0.768	S	S	*	*			trans	76.7	134.6	166.7	-58.3	-20.5	0	0	0	116.9
517	S	28.6	Very low	28.9	Very low	99 Å²	99	147.6 Å²	147.6	69%	0.692	77%	0.772	S	S	*	*			cis	-150.3	149.4	14.9	-167.9	0	0	0	0	113.6
518	F	26	Very low	28.6	Very low	176 Å²	176	147.5 Å²	147.5	77%	0.772	78%	0.781	S	S	*	*			trans	27.2	135.8	148.6	-74.1	-122.7	0	0	0	119.6
519	M	28.2	Very low	28.4	Very low	150 Å²	150	147 Å²	147	74%	0.739	79%	0.788	S	S	*	*			cis	-164.2	-180	12.7	-124.3	-64.5	123.3	0	0	112.5
520	Q	31.1	Very low	28	Very low	189 Å²	189	149.9 Å²	149.9	88%	0.883	79%	0.793	S	S	*	*			trans	66.3	119.5	176.7	-65.9	-173.9	-20.6	0	0	116.1
521	G	25	Very low	28	Very low	67 Å²	67	147.3 Å²	147.3	69%	0.691	79%	0.793	S	S	*	*			trans	-151.5	152.1	173.2	0	0	0	0	0	112.5
522	H	26.2	Very low	28.3	Very low	200 Å²	200	146.5 Å²	146.5	93%	0.926	79%	0.79	S	S	*	*			trans	-144.7	107.4	163.2	-90.1	-70.2	0	0	0	109.5
523	M	27.1	Very low	28.4	Very low	162 Å²	162	148.5 Å²	148.5	80%	0.798	80%	0.795	S	S	*	*			trans	-161.1	136.1	179.9	-88.4	-71.8	-171	0	0	104.4
524	R	29	Very low	28.6	Very low	204 Å²	204	147.9 Å²	147.9	77%	0.77	80%	0.798	S	S	*	*			cis	-143.8	172.7	-6.3	-79.9	170.7	174.8	178.2	-5.6	107
525	N	23.3	Very low	28.4	Very low	176 Å²	176	149.3 Å²	149.3	94%	0.941	81%	0.808	S	S	*	*			trans	-119.2	126.1	148.5	-97.3	-15.5	0	0	0	109.1
526	S	26.5	Very low	28.2	Very low	101 Å²	101	156.2 Å²	156.2	71%	0.706	82%	0.815	S	S	*	*			trans	-127.3	117.4	175.9	53.4	0	0	0	0	109.9
527	I	32.5	Very low	28.2	Very low	155 Å²	155	156.8 Å²	156.8	80%	0.795	82%	0.817	S	S	*	*			trans	23.2	117.6	154.5	-58.5	172	0	0	0	117.1
528	S	25.5	Very low	28.3	Very low	124 Å²	124	159.7 Å²	159.7	87%	0.867	82%	0.82	S	S	*	*			trans	-149.6	146	146.9	-78.6	0	0	0	0	109.6
529	V	27.6	Very low	29.4	Very low	132 Å²	132	156.4 Å²	156.4	80%	0.8	82%	0.816	S	S	*	*			trans	-104.7	132.7	-164.2	173.4	0	0	0	0	112.1
530	R	23.7	Very low	29.4	Very low	241 Å²	241	153.6 Å²	153.6	91%	0.909	81%	0.811	S	S	*	*			trans	-171.8	151.5	133.6	-106.4	166.4	-170.4	-157.4	1.3	114.2
531	S	32.9	Very low	29.3	Very low	110 Å²	110	155.1 Å²	155.1	77%	0.769	81%	0.809	S	S	*	*			trans	-78.8	165.4	168.6	53.2	0	0	0	0	111.4
532	P	35.1	Very low	29.6	Very low	120 Å²	120	158.7 Å²	158.7	78%	0.779	81%	0.811	S	S	*	*				-148.2	172	95.8	40.1	-24.5	0	0	0	115.9
533	I	32.1	Very low	29.8	Very low	163 Å²	163	155.8 Å²	155.8	84%	0.836	80%	0.801	S	S	*	*			trans	-82.6	139.2	161.5	-62.2	167.4	0	0	0	108.5
534	P	33.9	Very low	29.7	Very low	117 Å²	117	154.5 Å²	154.5	76%	0.76	80%	0.797	S	S	*	*			trans	-100.4	135.4	175.3	35.7	-30.1	0	0	0	113.3
535	E	26	Very low	29.6	Very low	202 Å²	202	150.3 Å²	150.3	94%	0.944	80%	0.795	S	S	*	*			trans	-144	152.4	153.7	-156.5	162.5	-139.7	0	0	110.1
536	R	25.2	Very low	30.8	Very low	232 Å²	232	147 Å²	147	88%	0.875	78%	0.783	S	S	*	*			trans	-97.1	146.7	-166.6	-78.9	172.5	142.3	-171.4	-4.9	112.8
537	L	27.1	Very low	31	Very low	172 Å²	172	147.4 Å²	147.4	90%	0.901	79%	0.786	S	S	*	*				-165.7	163.2	103.9	-125.2	81.7	0	0	0	113.8
538	E	30.9	Very low	30.9	Very low	161 Å²	161	144.6 Å²	144.6	75%	0.752	78%	0.779	S	S	*	*			trans	-101.6	-173.5	173.6	-135.5	-156	-110.9	0	0	109.2	S540	E538-S540 PolarHBondContact OE2-N 3.24Å
539	P	49.1	Very low	31	Very low	106 Å²	106	146.8 Å²	146.8	69%	0.688	78%	0.775	S	S	*	*			cis	-150.6	179.1	41.4	42.4	-19.3	0	0	0	121.1
540	S	27.7	Very low	31.1	Very low	92 Å²	92	145.3 Å²	145.3	64%	0.643	77%	0.766	S	S	*	*			trans	91.2	153	150.6	88.2	0	0	0	0	118.7	E538	E538-S540 PolarHBondContact OE2-N 3.24Å
541	R	28.9	Very low	31.2	Very low	220 Å²	220	137 Å²	137	83%	0.83	76%	0.756	S	S	*	*			cis	-166.9	159.3	7.6	-136.4	173.7	-162.5	-175.8	6.3	113
542	L	32.5	Very low	31.1	Very low	142 Å²	142	141.5 Å²	141.5	74%	0.743	76%	0.757	S	S	*	*			trans	81.4	114.6	152.5	-59.3	165.8	0	0	0	124.6
543	I	29.8	Very low	30.7	Very low	140 Å²	140	141.2 Å²	141.2	72%	0.718	76%	0.758	S	S	*	*				88	132.9	124.3	-69.8	180	0	0	0	124.4
544	N	24.1	Very low	30.5	Very low	134 Å²	134	137.9 Å²	137.9	72%	0.717	75%	0.754	S	S	*	*			trans	81.5	98.9	156.4	-78.2	-1.9	0	0	0	125.2
545	T	26.6	Very low	30.1	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	75%	0.754	S	S	*	*				42.7	154.4	117.4	55	0	0	0	0	124.1
546	P	48.7	Very low	31.1	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	74%	0.741	S	S	*	*			cis	-143	178.4	-22.4	39.1	-20.1	0	0	0	117.2
547	S	30.7	Very low	31.2	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	74%	0.739	S	S	*	*			trans	81.5	143.9	153.8	86.1	0	0	0	0	118.9
548	C	30.6	Very low	31.1	Very low	97 Å²	97	124.4 Å²	124.4	66%	0.655	73%	0.732	S	S	*	*			cis	-159.7	157.2	-13.8	-127.1	0	0	0	0	115.8
549	H	28.6	Very low	31.4	Very low	170 Å²	170	121.8 Å²	121.8	79%	0.787	73%	0.729	S	S	*	*			trans	67.2	171.5	160.4	-64.1	-49.8	0	0	0	118.4
550	T	29.1	Very low	30.4	Very low	101 Å²	101	123.4 Å²	123.4	62%	0.62	73%	0.731	S	S	*	*			cis	179.9	142.7	-42.5	-80.5	0	0	0	0	105.1	Y552	T550-Y552 HydrophobicContact CG2-CD2 4.01Å; T550-Y552 HydrophobicContact CG2-CE2 3.41Å; T550-Y552 VanDerWaalsContact CG2-CE2 3.41Å
551	G	26.5	Very low	30.2	Very low	66 Å²	66	127 Å²	127	68%	0.68	74%	0.737	S	S	*	*			cis	-160.2	-151	-2.1	0	0	0	0	0	106.6
552	Y	29.5	Very low	29.9	Very low	205 Å²	205	126.6 Å²	126.6	80%	0.804	74%	0.737	S	S	*	*			cis	-147.3	137.3	-6.5	-92.9	-87.8	0	0	0	105.9	T550	T550-Y552 HydrophobicContact CG2-CD2 4.01Å; T550-Y552 HydrophobicContact CG2-CE2 3.41Å; T550-Y552 VanDerWaalsContact CG2-CE2 3.41Å
553	S	27.3	Very low	29.6	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	74%	0.736	S	S	*	*				66.4	131.9	102.5	-142.7	0	0	0	0	115.5
554	A	27.8	Very low	29.3	Very low	92 Å²	92	124.9 Å²	124.9	76%	0.76	74%	0.739	S	S	*	*			cis	-149.9	170.1	6.7	0	0	0	0	0	112.8
555	A	26.2	Very low	29.5	Very low	91 Å²	91	124.5 Å²	124.5	75%	0.752	74%	0.741	S	S	*	*			trans	-100.1	-162.5	165.8	0	0	0	0	0	108.8
556	P	46.4	Very low	29.4	Very low	103 Å²	103	128.1 Å²	128.1	67%	0.669	74%	0.743	S	S	*	*			cis	-142.4	-163.7	1.8	37.2	-13	0	0	0	116
557	N	26.5	Very low	28.1	Very low	155 Å²	155	132.3 Å²	132.3	83%	0.829	75%	0.745	S	S	*	*			trans	100.5	141.5	156.6	-57.5	-25.9	0	0	0	119.4
558	A	25.1	Very low	27.8	Very low	91 Å²	91	133.2 Å²	133.2	75%	0.752	74%	0.741	S	S	*	*			trans	-118.7	-166.5	172.9	0	0	0	0	0	107.5
559	P	38.9	Very low	27.5	Very low	106 Å²	106	132.5 Å²	132.5	69%	0.688	74%	0.743	S	S	*	*			cis	-139.6	-178.8	-3	44.1	-26.4	0	0	0	116
560	L	26.6	Very low	27.3	Very low	141 Å²	141	129.4 Å²	129.4	74%	0.738	75%	0.747	S	S	*	*			trans	61.6	134.9	151.7	-72.9	169	0	0	0	122.5
561	H	25	Very low	27.2	Very low	168 Å²	168	129 Å²	129	78%	0.778	75%	0.753	S	S	*	*			trans	59.3	149.9	160.3	-63.2	-66.6	0	0	0	117.3
562	Y	22.3	Very low	27.3	Very low	211 Å²	211	129.9 Å²	129.9	83%	0.827	76%	0.755	S	S	*	*			cis	-155.9	-172.8	34.5	-166.6	-102.3	0	0	0	112.3
563	N	24.5	Very low	27.2	Very low	134 Å²	134	128.4 Å²	128.4	72%	0.717	76%	0.755	S	S	*	*			trans	-85.7	146.7	-179.5	-67.5	-32.8	0	0	0	115.5
564	S	25.1	Very low	27.2	Very low	111 Å²	111	127.8 Å²	127.8	78%	0.776	74%	0.743	S	S	*	*			trans	-174.7	136.6	140	41.9	0	0	0	0	107.4
565	V	27.9	Very low	27.3	Very low	127 Å²	127	133.1 Å²	133.1	77%	0.77	74%	0.743	S	S	*	*			cis	63.5	99.4	44.8	-166.5	0	0	0	0	113.1
566	Y	23.2	Very low	27.4	Very low	192 Å²	192	135.7 Å²	135.7	75%	0.753	74%	0.741	S	S	*	*			trans	-178.3	123.9	142.5	-107.6	-154	0	0	0	113.5
567	W	23.4	Very low	26.6	Very low	195 Å²	195	136 Å²	136	74%	0.739	74%	0.738	S	S	*	*			trans	57.7	166.7	154.4	-51.8	119.1	0	0	0	118.8
568	D	22.7	Very low	26.8	Very low	127 Å²	127	134.8 Å²	134.8	68%	0.679	74%	0.736	S	S	*	*			cis	-142.1	136.9	-10	-120.5	-15.6	0	0	0	106.8
569	A	24.6	Very low	26.9	Very low	83 Å²	83	138.7 Å²	138.7	69%	0.686	74%	0.736	S	S	*	*				74.6	153.5	86.6	0	0	0	0	0	116.7
570	A	25.1	Very low	26.5	Very low	105 Å²	105	144.4 Å²	144.4	87%	0.868	74%	0.744	S	S	*	*			trans	69.4	146.1	178.8	0	0	0	0	0	115.9
571	A	27.5	Very low	26.6	Very low	91 Å²	91	146 Å²	146	75%	0.752	74%	0.744	S	S	*	*			cis	-149.6	168.6	-2.3	0	0	0	0	0	112
572	A	27.9	Very low	26.8	Very low	86 Å²	86	142.3 Å²	142.3	71%	0.711	74%	0.738	S	S	*	*			trans	55.7	109.7	150.2	0	0	0	0	0	118.9
573	E	26.7	Very low	27.2	Very low	174 Å²	174	139.2 Å²	139.2	81%	0.813	74%	0.735	S	S	*	*				78.3	144.3	81.5	-77.8	-159.2	160.9	0	0	114.5
574	N	28.1	Very low	27.5	Very low	101 Å²	101	140.3 Å²	140.3	54%	0.54	74%	0.736	S	S	.	*			cis	-157.5	145.9	1.8	-130.2	-36	0	0	0	112.2
575	R	29.5	Very low	27.8	Very low	204 Å²	204	142.2 Å²	142.2	77%	0.77	74%	0.735	S	S	*	*			trans	62.9	152.1	155.3	-64.8	179	178.5	-167.3	-2.6	118.9
576	M	28.4	Very low	27.8	Very low	145 Å²	145	142.8 Å²	142.8	71%	0.714	73%	0.733	S	S	*	*			cis	-153.7	174.2	-6.9	-122.6	-163.2	-157.8	0	0	113.4
577	N	28.7	Very low	28.2	Very low	110 Å²	110	140 Å²	140	59%	0.588	73%	0.732	S	S	*	*			trans	-35.9	162.3	169.9	-52.7	-82.1	0	0	0	117.1
578	T	30.9	Very low	28.5	Very low	129 Å²	129	137 Å²	137	79%	0.791	73%	0.73	S	S	*	*			cis	-149.7	154.8	35.7	48.6	0	0	0	0	113.2
579	K	27.4	Very low	28.8	Very low	172 Å²	172	140 Å²	140	75%	0.748	74%	0.737	S	S	*	*			cis	106.8	130.8	17.7	-155.4	174.3	-160.9	170.9	0	114.3
580	R	30.7	Very low	29.1	Very low	227 Å²	227	142.4 Å²	142.4	86%	0.857	74%	0.739	S	S	*	*			trans	89.8	146.6	177.4	-60	-179.6	171.7	165.2	-1.4	115.9
581	K	29.3	Very low	29.3	Very low	173 Å²	173	141 Å²	141	75%	0.752	72%	0.723	S	S	*	*			cis	-166.5	135.4	-8.7	-106.2	-175.8	172.8	-166.8	0	106.6
582	S	28.7	Very low	29.5	Very low	92 Å²	92	146.9 Å²	146.9	64%	0.643	73%	0.727	S	S	*	*				46.4	128.4	72.7	73.5	0	0	0	0	114.8
583	L	31.1	Very low	29.6	Very low	146 Å²	146	147.6 Å²	147.6	76%	0.764	73%	0.727	S	S	*	*			cis	-146.5	172.5	32.7	-69.1	168.4	0	0	0	110.1
584	Q	29.9	Very low	29.7	Very low	157 Å²	157	145.2 Å²	145.2	73%	0.734	73%	0.729	S	S	*	*			cis	103.4	136.6	10.8	-151.3	-170.4	-28.1	0	0	116.1
585	I	31.7	Very low	29.6	Very low	150 Å²	150	143.6 Å²	143.6	77%	0.769	74%	0.736	S	S	*	*			trans	76.7	151.8	171.3	-68.9	156.3	0	0	0	116.8
586	L	29.2	Very low	29.8	Very low	139 Å²	139	143.2 Å²	143.2	73%	0.728	74%	0.74	S	S	*	*			cis	-177.1	148.7	-30.2	-178.1	60.3	0	0	0	111.5
587	D	29.9	Very low	29.9	Very low	135 Å²	135	143 Å²	143	72%	0.722	74%	0.742	S	S	*	*			trans	66	176.1	157.4	-78.6	-31.6	0	0	0	124.7
588	N	30.9	Very low	30.1	Very low	131 Å²	131	142.1 Å²	142.1	70%	0.701	75%	0.745	S	S	*	*			trans	-112.2	-169.5	-151.7	-73.5	-70.5	0	0	0	115.8
589	F	29	Very low	30.2	Very low	190 Å²	190	145.7 Å²	145.7	83%	0.833	75%	0.745	S	S	*	*			trans	90.7	141	161.2	-64.6	-78.7	0	0	0	117.9
590	D	29.7	Very low	30.5	Very low	133 Å²	133	145.2 Å²	145.2	71%	0.711	75%	0.745	S	S	*	*			cis	-167.1	168.7	-16.9	-158.6	9.4	0	0	0	113.8
591	S	30.1	Very low	30.6	Very low	77 Å²	77	138.9 Å²	138.9	54%	0.538	74%	0.736	S	S	.	*			trans	68.2	142.3	144.3	-135.9	0	0	0	0	123
592	Y	30.8	Very low	30.8	Very low	213 Å²	213	136.4 Å²	136.4	84%	0.835	74%	0.736	S	S	*	*				-179.2	106.5	104.6	-105	-76.4	0	0	0	114.6
593	S	30.3	Very low	30.8	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	74%	0.743	S	S	*	*			trans	52.7	162.4	138.9	-48.4	0	0	0	0	122.5
594	S	29.8	Very low	30.9	Very low	124 Å²	124	139.5 Å²	139.5	87%	0.867	74%	0.739	S	S	*	*			cis	-159.8	157.5	9.5	-155.8	0	0	0	0	113
595	G	26.5	Very low	31	Very low	67 Å²	67	137.2 Å²	137.2	69%	0.691	74%	0.741	S	S	*	*			trans	144.7	76.2	153.8	0	0	0	0	0	122.1
596	K	33.8	Very low	31.1	Very low	196 Å²	196	138 Å²	138	85%	0.852	75%	0.745	S	S	*	*			trans	34.7	141.6	137.3	-66.8	-173.5	177.1	177.5	0	121.4
597	N	30.6	Very low	31.1	Very low	140 Å²	140	137 Å²	137	75%	0.749	75%	0.75	S	S	*	*			cis	-170.5	155.8	20.8	-115.3	3.2	0	0	0	113.4
598	S	32.1	Very low	31.3	Very low	93 Å²	93	142.1 Å²	142.1	65%	0.65	76%	0.759	S	S	*	*			trans	64.9	136.8	145.6	169.2	0	0	0	0	121.6
599	Y	33.6	Very low	31.3	Very low	204 Å²	204	141.2 Å²	141.2	80%	0.8	76%	0.763	S	S	*	*			cis	-164.3	153.2	-9.6	-101.1	-40.9	0	0	0	112.6
600	H	31.9	Very low	31.4	Very low	161 Å²	161	141.7 Å²	141.7	75%	0.745	77%	0.765	S	S	*	*			trans	41.4	128.4	161	-75.8	-99.4	0	0	0	121.7
601	S	33.8	Very low	31.2	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	77%	0.773	S	S	*	*			cis	81.9	143.3	45.9	-167.3	0	0	0	0	113.1
602	T	34	Very low	31.1	Very low	121 Å²	121	144.3 Å²	144.3	74%	0.742	78%	0.784	S	S	*	*			cis	-126.2	-157.2	21.9	-8.9	0	0	0	0	111
603	Y	28.4	Very low	31.1	Very low	206 Å²	206	142.3 Å²	142.3	81%	0.808	78%	0.782	S	S	*	*			cis	-150.4	170.2	11.3	-155	-89.7	0	0	0	110.7
604	S	33.2	Very low	31	Very low	97 Å²	97	146 Å²	146	68%	0.678	79%	0.79	S	S	*	*			trans	-146.3	156.3	-173.1	-49.3	0	0	0	0	115.5
605	S	31.5	Very low	30.7	Very low	109 Å²	109	146.2 Å²	146.2	76%	0.762	78%	0.782	S	S	*	*			trans	-168.9	144.5	150.9	42.1	0	0	0	0	109.9
606	L	34.4	Very low	30.9	Very low	166 Å²	166	149.3 Å²	149.3	87%	0.869	79%	0.787	S	S	*	*			cis	76.8	140.7	29.7	-65.7	164.2	0	0	0	113.8
607	S	29.7	Very low	30.8	Very low	119 Å²	119	147.4 Å²	147.4	83%	0.832	79%	0.785	S	S	*	*			cis	-146.9	-137.7	16.6	67.9	0	0	0	0	115
608	R	33.3	Very low	31.3	Very low	241 Å²	241	145.4 Å²	145.4	91%	0.909	78%	0.779	S	S	*	*			trans	-158	131	-155.9	-179.5	-164.8	-167.1	-149.5	10.5	114.3
609	S	30.7	Very low	31.2	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	76%	0.764	S	S	*	*			trans	-152.2	150.7	157.8	52.7	0	0	0	0	109.1
610	K	31.3	Very low	31.1	Very low	201 Å²	201	138.9 Å²	138.9	87%	0.874	75%	0.749	S	S	*	*			cis	82.1	91.4	32.2	-103.2	-163.6	177	-168.9	0	116.3
611	H	25.5	Very low	31.1	Very low	191 Å²	191	135.9 Å²	135.9	88%	0.884	74%	0.738	S	S	*	*			trans	57.6	121.7	135.8	-157.5	84	0	0	0	120.1
612	G	28.3	Very low	31	Very low	73 Å²	73	136.7 Å²	136.7	75%	0.753	74%	0.739	S	S	*	*			trans	177.7	126.9	165.8	0	0	0	0	0	112
613	Q	30.5	Very low	30.8	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.804	74%	0.741	S	S	*	*			trans	-94.9	137.1	171.5	-70.5	179.3	-52.5	0	0	110.5
614	M	27.3	Very low	30.8	Very low	178 Å²	178	132.3 Å²	132.3	88%	0.877	73%	0.732	S	S	*	*			trans	-157.8	114.7	144.4	-99.6	167.4	108.9	0	0	105.3
615	N	24.1	Very low	30.6	Very low	129 Å²	129	139 Å²	139	69%	0.69	74%	0.743	S	S	*	*				56.2	94.6	63.9	-64.9	-7.6	0	0	0	112.8
616	T	31.3	Very low	30.6	Very low	131 Å²	131	141.4 Å²	141.4	80%	0.804	74%	0.742	S	S	*	*				-166.2	118.6	121.3	-70	0	0	0	0	109.2
617	I	30.4	Very low	30.7	Very low	157 Å²	157	142.7 Å²	142.7	81%	0.805	74%	0.741	S	S	*	*			trans	-116.1	128.9	162.4	-55.4	168.2	0	0	0	104.6
618	P	42.2	Very low	30.8	Very low	97 Å²	97	147.5 Å²	147.5	63%	0.63	74%	0.741	S	S	*	*				-147.3	163.3	116.1	36.5	-20.7	0	0	0	111.8
619	D	30.2	Very low	30.8	Very low	60 Å²	60	144.6 Å²	144.6	32%	0.321	74%	0.737	S	S	.	*			cis	173.5	140	-14.7	-97.4	-32.7	0	0	0	105.6	E2 V3 G4	E2-D619 CarbonylContact C-O 3.44Å; V3-D619 PolarHBondContact N-O 2.78Å; G4-D619 WeakPolarHBondContact CA-OD2 3.24Å; G4-D619 PolarHBondContact N-OD2 3.08Å
620	M	31.2	Very low	30.8	Very low	101 Å²	101	144.8 Å²	144.8	50%	0.498	74%	0.738	S	S	.	*				72.7	167.2	127.8	-74.8	-80.5	-81.9	0	0	126.5	E2 V3 G4	E2-M620 CarbonylContact O-C 3.56Å; E2-M620 WeakPolarHBondContact O-CB 3.11Å; V3-M620 WeakPolarHBondContact O-CB 3.22Å; V3-M620 WeakPolarHBondContact O-CG 3.28Å; G4-M620 WeakPolarHBondContact O-CE 3.44Å
621	L	32.6	Very low	31	Very low	97 Å²	97	141.9 Å²	141.9	51%	0.508	74%	0.737	S	S	.	*			trans	58.3	121.5	168.7	-59.3	175.8	0	0	0	114.9	E2	E2-L621 WeakPolarHBondContact O-CD1 3.22Å; E2-L621 WeakPolarHBondContact O-CG 3.11Å
622	T	30.3	Very low	31.2	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.693	73%	0.732	S	S	*	*				54.1	137.9	56.8	79.1	0	0	0	0	112.7
623	D	30.2	Very low	31.7	Very low	145 Å²	145	140.8 Å²	140.8	78%	0.775	73%	0.733	S	S	*	*			cis	-155.7	-168.6	15.1	-154.3	-15.9	0	0	0	110.9
624	S	29.3	Very low	32.4	Very low	90 Å²	90	138 Å²	138	63%	0.629	73%	0.73	S	S	*	*			trans	88	87.8	158.5	74	0	0	0	0	119.1
625	W	27.3	Very low	32.5	Very low	237 Å²	237	140.8 Å²	140.8	90%	0.898	73%	0.731	S	S	*	*				67.3	139.3	128.7	-57.8	10.4	0	0	0	117.4
626	Q	32.8	Very low	32.7	Very low	159 Å²	159	140.6 Å²	140.6	74%	0.743	74%	0.74	S	S	*	*				-160.4	160.6	59.5	-75.8	173.9	20.1	0	0	113.8
627	K	35.7	Very low	32.4	Very low	194 Å²	194	139.2 Å²	139.2	84%	0.843	74%	0.736	S	S	*	*			trans	61	106.7	157.3	-72.1	170.5	179.9	171	0	119
628	R	31.6	Very low	32.4	Very low	220 Å²	220	137.1 Å²	137.1	83%	0.83	73%	0.73	S	S	*	*			trans	-97	179.4	156.4	-72	-177.8	170.5	-167.3	-2.5	110.6
629	H	33.4	Very low	31.7	Very low	179 Å²	179	141.1 Å²	141.1	83%	0.829	74%	0.74	S	S	*	*			trans	77.1	149.5	174.6	-45.9	-76.2	0	0	0	113.4
630	S	31.3	Very low	31.5	Very low	117 Å²	117	147 Å²	147	82%	0.818	77%	0.766	S	S	*	*			cis	-134.2	-176.4	23.4	-157.8	0	0	0	0	115.1
631	V	36.6	Very low	32	Very low	139 Å²	139	146.3 Å²	146.3	84%	0.842	77%	0.769	S	S	*	*			trans	-131.6	132.7	-176.8	-175.3	0	0	0	0	109.4
632	A	29.6	Very low	32	Very low	95 Å²	95	151.4 Å²	151.4	79%	0.785	78%	0.783	S	S	*	*			trans	-173.7	147.8	155.2	0	0	0	0	0	112.9
633	D	38.8	Very low	32	Very low	146 Å²	146	153.3 Å²	153.3	78%	0.781	78%	0.784	S	S	*	*			trans	-86.9	148.1	155	-178	26.4	0	0	0	107.8
634	P	43.8	Very low	32.1	Very low	113 Å²	113	152.2 Å²	152.2	73%	0.734	78%	0.783	S	S	*	*				-156.2	175.2	112	40.1	-22.2	0	0	0	117.2
635	R	30	Very low	32.3	Very low	237 Å²	237	152.5 Å²	152.5	89%	0.894	79%	0.785	S	S	*	*			trans	-78.4	143.9	160.2	-53.7	166	175.1	163.1	-3.9	112.2
636	S	28.2	Very low	32.6	Very low	126 Å²	126	145.5 Å²	145.5	88%	0.881	77%	0.772	S	S	*	*				-170.1	-176	129.6	58.5	0	0	0	0	111.1
637	S	25.2	Very low	32.7	Very low	102 Å²	102	146 Å²	146	71%	0.713	77%	0.774	S	S	*	*			trans	-109.7	179.3	-163.3	57.5	0	0	0	0	115.4
638	T	30.6	Very low	32.5	Very low	112 Å²	112	143.8 Å²	143.8	69%	0.687	77%	0.768	S	S	*	*			trans	98.7	130.5	142.3	6.5	0	0	0	0	120.4
639	E	26.6	Very low	32.6	Very low	181 Å²	181	143.6 Å²	143.6	85%	0.846	77%	0.769	S	S	*	*			trans	86.1	155.5	151	-83.5	151.9	-125.9	0	0	123.3
640	H	27.3	Very low	32.4	Very low	183 Å²	183	138.4 Å²	138.4	85%	0.847	76%	0.763	S	S	*	*			trans	-104.9	-173.6	-165.1	-86.5	-65.4	0	0	0	109.2
641	P	41.5	Very low	32.3	Very low	88 Å²	88	140 Å²	140	57%	0.571	76%	0.758	S	S	*	*			cis	-148.2	-176.1	16.3	47.5	-28.8	0	0	0	118.6
642	Y	32.1	Very low	32	Very low	204 Å²	204	142.2 Å²	142.2	80%	0.8	76%	0.757	S	S	*	*			trans	59.9	152.4	152.5	-58.5	-44.5	0	0	0	120.6
643	E	29.9	Very low	31.9	Very low	153 Å²	153	143.8 Å²	143.8	72%	0.715	76%	0.756	S	S	*	*			cis	-168.1	165.6	-26.5	-163	169.2	-141.3	0	0	110.2
644	T	31.7	Very low	31.6	Very low	122 Å²	122	147.5 Å²	147.5	75%	0.748	76%	0.759	S	S	*	*			trans	58.1	160.3	157.9	28.2	0	0	0	0	121
645	S	34.4	Very low	30.9	Very low	96 Å²	96	146.8 Å²	146.8	67%	0.671	75%	0.753	S	S	*	*			cis	-158.9	158.7	-9.3	51.5	0	0	0	0	113.1
646	S	32.8	Very low	30.8	Very low	90 Å²	90	144 Å²	144	63%	0.629	75%	0.75	S	S	*	*			trans	53.2	161.6	141	-68.5	0	0	0	0	122.4
647	H	36.1	Very low	31.2	Very low	170 Å²	170	144.1 Å²	144.1	79%	0.787	75%	0.745	S	S	*	*			cis	-171.1	176.7	-7.6	-95.6	-19.3	0	0	0	106.7
648	M	31.6	Very low	31.3	Very low	146 Å²	146	147 Å²	147	72%	0.719	75%	0.752	S	S	*	*			cis	-165.2	139.2	-15.8	-93.5	-92.2	-73.2	0	0	105.1
649	Y	32.7	Very low	31.4	Very low	217 Å²	217	152.4 Å²	152.4	85%	0.851	76%	0.76	S	S	*	*				99.9	131.9	64	-147.9	-78.7	0	0	0	114.7
650	G	29.5	Very low	31.7	Very low	69 Å²	69	148.4 Å²	148.4	71%	0.711	75%	0.752	S	S	*	*			trans	114.3	156.5	168.2	0	0	0	0	0	117
651	H	28.5	Very low	32.1	Very low	150 Å²	150	146.5 Å²	146.5	69%	0.694	75%	0.754	S	S	*	*				-176.3	132.2	-67.3	178	100.9	0	0	0	108.7
652	F	30.7	Very low	31.6	Very low	187 Å²	187	146 Å²	146	82%	0.82	76%	0.757	S	S	*	*			trans	165.2	166.5	144.7	-95.7	-62.2	0	0	0	113.4
653	V	29	Very low	31.4	Very low	128 Å²	128	144.5 Å²	144.5	78%	0.776	76%	0.757	S	S	*	*			trans	-142	139.1	-167.7	169.2	0	0	0	0	110.7
654	R	31	Very low	31.6	Very low	223 Å²	223	144.7 Å²	144.7	84%	0.842	76%	0.762	S	S	*	*			trans	-171.2	135.8	140	-114.9	-169.9	171.6	-170.3	-4.6	116.8
655	T	28.8	Very low	32.4	Very low	99 Å²	99	144.1 Å²	144.1	61%	0.607	76%	0.76	S	S	*	*			trans	27.1	150.1	133.5	56.3	0	0	0	0	122.2
656	E	28	Very low	32.3	Very low	179 Å²	179	145.1 Å²	145.1	84%	0.836	76%	0.762	S	S	*	*			cis	-171	175.6	-15.3	-169.8	148.1	-154.8	0	0	109.2
657	V	37.3	Very low	32.3	Very low	127 Å²	127	148.4 Å²	148.4	77%	0.77	77%	0.767	S	S	*	*			trans	-73.2	146.7	-171.9	177.5	0	0	0	0	113.6
658	N	27.5	Very low	31.9	Very low	162 Å²	162	147.7 Å²	147.7	87%	0.866	77%	0.769	S	S	*	*			trans	-148.9	168.3	148.7	-125.1	-40.4	0	0	0	114.4
659	R	32	Very low	31.9	Very low	227 Å²	227	144.8 Å²	144.8	86%	0.857	78%	0.777	S	S	*	*			trans	-93.4	141.6	-162.9	-93.6	177.4	170.3	159.3	-5.2	116.2
660	S	34.4	Very low	31.7	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	77%	0.768	S	S	*	*			trans	4.1	141.9	145.2	60.2	0	0	0	0	122.3
661	T	33.9	Very low	31.8	Very low	144 Å²	144	144.6 Å²	144.6	88%	0.883	78%	0.775	S	S	*	*			trans	90.6	146.6	152.3	-47.2	0	0	0	0	116.7
662	A	31.3	Very low	31.9	Very low	78 Å²	78	145.7 Å²	145.7	65%	0.645	78%	0.777	S	S	*	*			trans	-96.7	156.5	-162.6	0	0	0	0	0	115.2
663	E	29	Very low	32.1	Very low	172 Å²	172	142.7 Å²	142.7	80%	0.804	78%	0.775	S	S	*	*			trans	64.2	90.2	148.5	-71.1	167.5	-158.1	0	0	120.8
664	I	33.8	Very low	32.5	Very low	157 Å²	157	141.3 Å²	141.3	81%	0.805	77%	0.77	S	S	*	*				54.1	127.5	103.9	-64.6	164.4	0	0	0	118.4
665	P	49.1	Very low	32.7	Very low	110 Å²	110	138.2 Å²	138.2	71%	0.714	77%	0.768	S	S	*	*			cis	-135.4	-162.2	-47.4	40.3	-20.2	0	0	0	111.3
666	V	30.8	Very low	32.9	Very low	117 Å²	117	139 Å²	139	71%	0.709	77%	0.768	S	S	*	*			trans	157.3	118.2	132.5	160.3	0	0	0	0	113.6
667	Q	34.1	Very low	33.3	Very low	159 Å²	159	136.7 Å²	136.7	74%	0.743	76%	0.757	S	S	*	*			trans	53.7	128	151.3	-66.2	177.7	21.5	0	0	124.3
668	N	27.8	Very low	33.3	Very low	154 Å²	154	136.8 Å²	136.8	82%	0.824	75%	0.753	S	S	*	*			trans	53.2	121.6	136.9	-54	-14.3	0	0	0	119.8
669	G	30	Very low	33.8	Very low	86 Å²	86	134.1 Å²	134.1	89%	0.887	74%	0.736	S	S	*	*			cis	140.5	134.4	17.5	0	0	0	0	0	110.5
670	G	28.6	Very low	34	Very low	64 Å²	64	133 Å²	133	66%	0.66	73%	0.731	S	S	*	*			trans	150.5	95.7	169.6	0	0	0	0	0	118.4
671	Y	32.4	Very low	34	Very low	218 Å²	218	133 Å²	133	86%	0.855	73%	0.731	S	S	*	*				30.1	137.5	125.5	-60.3	-58.4	0	0	0	120.8
672	K	31.7	Very low	33.9	Very low	172 Å²	172	134.1 Å²	134.1	75%	0.748	73%	0.731	S	S	*	*			cis	-157.4	137.2	11.6	-100.5	160.6	-178.9	-179.1	0	107.9
673	T	34.3	Very low	34	Very low	125 Å²	125	135.8 Å²	135.8	77%	0.767	74%	0.738	S	S	*	*				50.4	137.6	86.4	77.3	0	0	0	0	115.1
674	S	36.6	Very low	34.2	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	74%	0.736	S	S	*	*			cis	-170.8	157	23.9	58.6	0	0	0	0	115.6
675	M	36.1	Very low	34.2	Very low	159 Å²	159	137.8 Å²	137.8	78%	0.783	74%	0.736	S	S	*	*			trans	69.3	156.1	147.6	-55.5	-115	105.5	0	0	119.8
676	N	33.4	Very low	33.2	Very low	114 Å²	114	139.1 Å²	139.1	61%	0.61	74%	0.737	S	S	*	*			cis	-173.5	160.2	-43.9	-111.2	47.1	0	0	0	107.2
677	E	36.2	Very low	33.5	Very low	132 Å²	132	138.8 Å²	138.8	62%	0.617	74%	0.736	S	S	*	*			cis	-131	-107.5	-6.3	-157.4	170.2	127.6	0	0	111.2	Q679	E677-Q679 WeakPolarHBondContact OE1-CG 3.14Å; E677-Q679 PolarHBondContact OE1-NE2 3.26Å
678	D	36.7	Very low	33.3	Very low	129 Å²	129	140 Å²	140	69%	0.69	74%	0.738	S	S	*	*			cis	-151.7	116.9	-8.5	-164.7	39.8	0	0	0	112.5
679	Q	38.3	Very low	33.5	Very low	105 Å²	105	141.8 Å²	141.8	49%	0.491	74%	0.739	S	S	.	*			trans	38	133.5	134.1	-61.1	-173.3	33.5	0	0	121.8	E677	E677-Q679 WeakPolarHBondContact OE1-CG 3.14Å; E677-Q679 PolarHBondContact OE1-NE2 3.26Å
680	R	35	Very low	33.5	Very low	204 Å²	204	145.7 Å²	145.7	77%	0.77	74%	0.737	S	S	*	*			cis	-150.3	140.2	4.5	-92.2	152.4	-157.5	-151.7	7.8	108.2
681	S	35.7	Very low	33.7	Very low	95 Å²	95	146.8 Å²	146.8	66%	0.664	74%	0.74	S	S	*	*				71.7	108.1	68.6	-54.3	0	0	0	0	113.6
682	L	31.9	Very low	33.5	Very low	168 Å²	168	141.9 Å²	141.9	88%	0.88	73%	0.729	S	S	*	*				76.4	146.7	88	-73.6	168.4	0	0	0	113.8
683	S	33.6	Very low	33.4	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	73%	0.726	S	S	*	*			cis	-153.7	-146.8	2.6	56.4	0	0	0	0	112.7
684	H	33.2	Very low	33.2	Very low	163 Å²	163	144.8 Å²	144.8	76%	0.755	73%	0.731	S	S	*	*			trans	-94.1	154.1	-161.5	-95.6	-74.2	0	0	0	117.3
685	Y	33.2	Very low	32.8	Very low	207 Å²	207	143.6 Å²	143.6	81%	0.812	73%	0.734	S	S	*	*			trans	49.3	124.3	150.8	-79.3	-69.7	0	0	0	121.8
686	D	27.2	Very low	32.7	Very low	138 Å²	138	142 Å²	142	74%	0.738	74%	0.735	S	S	*	*			trans	-150.9	166.7	139.3	-164.3	11.9	0	0	0	110.4
687	V	38.6	Very low	32.4	Very low	111 Å²	111	143.7 Å²	143.7	67%	0.673	75%	0.745	S	S	*	*			trans	-131.5	131.5	-175.7	173.5	0	0	0	0	111.7
688	K	29.8	Very low	32.2	Very low	183 Å²	183	144 Å²	144	80%	0.796	75%	0.749	S	S	*	*			trans	-150.4	147.4	155.6	-106	127.6	-168.6	163	0	113.6
689	K	31.7	Very low	31.7	Very low	192 Å²	192	149.2 Å²	149.2	84%	0.835	76%	0.759	S	S	*	*			trans	-95.5	-163.4	172.1	-65.5	-179.9	174	177.5	0	109.8
690	I	30.4	Very low	31.3	Very low	168 Å²	168	149.9 Å²	149.9	86%	0.862	77%	0.765	S	S	*	*			trans	88.5	127.3	173.3	-51.9	161.1	0	0	0	110.3
691	A	31.4	Very low	31	Very low	87 Å²	87	149.8 Å²	149.8	72%	0.719	77%	0.77	S	S	*	*			cis	-144.9	176.6	4.1	0	0	0	0	0	110.5
692	D	28.5	Very low	30.7	Very low	116 Å²	116	152.9 Å²	152.9	62%	0.62	77%	0.774	S	S	*	*			cis	175.6	160.2	-33.2	-174.1	19.5	0	0	0	107.3
693	K	29.8	Very low	30.5	Very low	155 Å²	155	153.9 Å²	153.9	67%	0.674	77%	0.771	S	S	*	*			trans	67.5	123	161.2	-78.8	163.4	-178	101.8	0	121.8
694	K	29.3	Very low	30.8	Very low	203 Å²	203	154.4 Å²	154.4	88%	0.883	77%	0.772	S	S	*	*			trans	78.6	110.1	138	-65.6	176.4	178.2	-175.1	0	120
695	G	29.7	Very low	31	Very low	72 Å²	72	151.9 Å²	151.9	74%	0.742	77%	0.77	S	S	*	*			trans	177.5	107.3	160.7	0	0	0	0	0	110.1
696	P	32.3	Very low	30.9	Very low	126 Å²	126	147.7 Å²	147.7	82%	0.818	77%	0.766	S	S	*	*			trans	-88.7	171.5	-171.1	35.6	-36.3	0	0	0	114
697	N	29	Very low	31.2	Very low	150 Å²	150	151.5 Å²	151.5	80%	0.802	77%	0.77	S	S	*	*			trans	-5.2	125.3	162.1	-77.7	-37	0	0	0	117.9
698	I	30.6	Very low	30.9	Very low	139 Å²	139	152.1 Å²	152.1	71%	0.713	77%	0.774	S	S	*	*				180	122	110.8	-88.8	152	0	0	0	108.1	I700	I698-I700 HydrophobicContact CG2-CB 4.38Å; I698-I700 HydrophobicContact CG2-CD1 3.68Å; I698-I700 HydrophobicContact CG2-CG1 3.59Å
699	R	27	Very low	31	Very low	237 Å²	237	149 Å²	149	89%	0.894	77%	0.77	S	S	*	*			trans	-107.4	83.6	164.3	-82.9	-166.8	176.1	-168.1	0.3	109.6	F701	R699-F701 PolarHBondContact O-N 3.16Å
700	I	30.4	Very low	30.9	Very low	119 Å²	119	145.3 Å²	145.3	61%	0.61	77%	0.769	S	S	*	*			trans	-69.9	122.1	161.6	-69.1	155.5	0	0	0	107.4	I698 H702	I698-I700 HydrophobicContact CG2-CB 4.38Å; I698-I700 HydrophobicContact CG2-CD1 3.68Å; I698-I700 HydrophobicContact CG2-CG1 3.59Å; I700-H702 WeakPolarHBondContact CG2-CD2 3.49Å; I700-H702 PolarHBondContact O-N 3.01Å
701	F	28.7	Very low	30.9	Very low	202 Å²	202	142.2 Å²	142.2	89%	0.886	77%	0.768	S	S	*	*			trans	-79	94.3	172.2	-114.8	-88.1	0	0	0	109.5	R699	R699-F701 PolarHBondContact O-N 3.16Å
702	H	28.5	Very low	30.9	Very low	160 Å²	160	143 Å²	143	74%	0.741	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-87.4	134.5	169.1	-89.4	-71.7	0	0	0	111.5	I700	I700-H702 WeakPolarHBondContact CG2-CD2 3.49Å; I700-H702 PolarHBondContact O-N 3.01Å
703	K	27.9	Very low	30.9	Very low	189 Å²	189	142 Å²	142	82%	0.822	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-67.4	143.4	169.1	-68.1	176.3	175.3	176.3	0	110.8
704	P	40.4	Very low	31	Very low	125 Å²	125	143.1 Å²	143.1	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-73.7	134.8	156.6	31.2	-31.9	0	0	0	110.5
705	P	36	Very low	30.9	Very low	110 Å²	110	140.6 Å²	140.6	71%	0.714	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-102.3	119.5	-177.5	35.4	-31.6	0	0	0	115.3
706	T	32.5	Very low	31	Very low	119 Å²	119	143.6 Å²	143.6	73%	0.73	78%	0.784	S	S	*	*			trans	57.3	130.8	133	61	0	0	0	0	123.9
707	R	32.8	Very low	30.7	Very low	219 Å²	219	144 Å²	144	83%	0.826	78%	0.779	S	S	*	*			trans	76.8	154.9	146.4	-64.4	164.1	89.5	144.8	5.9	115.6
708	T	31.9	Very low	30.8	Very low	123 Å²	123	144.1 Å²	144.1	76%	0.755	78%	0.78	S	S	*	*			cis	-146.7	158.9	30.4	-47.2	0	0	0	0	114.8
709	V	32.3	Very low	30.7	Very low	119 Å²	119	147.1 Å²	147.1	72%	0.721	79%	0.788	S	S	*	*			trans	-45.4	157.8	162.5	-127.8	0	0	0	0	112
710	S	29.3	Very low	31	Very low	114 Å²	114	144.2 Å²	144.2	80%	0.797	78%	0.784	S	S	*	*			cis	-154.1	174.5	32.9	-63.6	0	0	0	0	115.3
711	A	30.5	Very low	30.8	Very low	102 Å²	102	146.7 Å²	146.7	84%	0.843	80%	0.798	S	S	*	*			trans	-85.2	159.7	175.7	0	0	0	0	0	114.6
712	A	30.7	Very low	30.8	Very low	104 Å²	104	141 Å²	141	86%	0.86	79%	0.788	S	S	*	*			trans	-158.1	157.4	150.7	0	0	0	0	0	109.8
713	A	29.3	Very low	30.8	Very low	95 Å²	95	140 Å²	140	79%	0.785	79%	0.788	S	S	*	*			trans	-75.8	161.1	-179.9	0	0	0	0	0	113.3
714	L	31.3	Very low	31	Very low	178 Å²	178	140.3 Å²	140.3	93%	0.932	79%	0.789	S	S	*	*				-160.4	162.6	117	-105.3	171.8	0	0	0	111.6
715	H	28	Very low	30.5	Very low	151 Å²	151	139.8 Å²	139.8	70%	0.699	79%	0.789	S	S	*	*			trans	-134.2	128.6	-164.5	161.2	-91.5	0	0	0	110.1
716	L	31.1	Very low	30.1	Very low	134 Å²	134	141.4 Å²	141.4	70%	0.702	79%	0.792	S	S	*	*			trans	62.3	164.5	-176.7	-59.4	176.5	0	0	0	114.1
717	N	26.1	Very low	30.1	Very low	135 Å²	135	140 Å²	140	72%	0.722	79%	0.786	S	S	*	*			cis	-142.9	160.6	3.7	-148	-14.3	0	0	0	111.8
718	N	31.1	Very low	29.9	Very low	153 Å²	153	137.1 Å²	137.1	82%	0.818	78%	0.784	S	S	*	*			trans	-66.3	151.8	165.5	-77.4	-32.4	0	0	0	110.6
719	K	28.4	Very low	29.8	Very low	202 Å²	202	138 Å²	138	88%	0.878	78%	0.783	S	S	*	*			trans	-149.1	139.3	165.2	-140.7	171.2	-171.7	176.1	0	112.2
720	E	33.1	Very low	29.6	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	79%	0.787	S	S	*	*			trans	-78.4	162.3	-173.6	-57	154	102.8	0	0	113
721	L	27.5	Very low	29.9	Very low	172 Å²	172	141.2 Å²	141.2	90%	0.901	79%	0.79	S	S	*	*			trans	-115.4	118.7	140.3	-75.7	101.4	0	0	0	107.2
722	A	28.3	Very low	30.8	Very low	81 Å²	81	140.8 Å²	140.8	67%	0.669	78%	0.779	S	S	*	*			cis	89.8	127.9	37.3	0	0	0	0	0	114.7
723	N	27.6	Very low	30.8	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	77%	0.771	S	S	*	*			trans	-141.8	113.4	167.2	-94.3	-53.8	0	0	0	110.7
724	K	32	Very low	31.5	Very low	194 Å²	194	144.2 Å²	144.2	84%	0.843	77%	0.774	S	S	*	*			trans	38.5	135.6	133.2	-61.1	164.3	-177.2	168.3	0	118.6
725	S	30.6	Very low	31.5	Very low	115 Å²	115	143.2 Å²	143.2	80%	0.804	76%	0.762	S	S	*	*			cis	-150	-166.2	19	56.5	0	0	0	0	110
726	N	28.7	Very low	31.6	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	76%	0.763	S	S	*	*			cis	-148.3	-116.3	10.9	-170.8	-5	0	0	0	112.5
727	S	31.3	Very low	31.6	Very low	88 Å²	88	141.2 Å²	141.2	62%	0.615	77%	0.766	S	S	*	*			trans	-156.9	156.8	-173.7	57	0	0	0	0	108.3
728	M	28.9	Very low	31.9	Very low	159 Å²	159	139.2 Å²	139.2	78%	0.783	76%	0.763	S	S	*	*				-161	151.1	57.7	-99.8	-169.5	160.1	0	0	115.1
729	I	29.4	Very low	32	Very low	142 Å²	142	138.1 Å²	138.1	73%	0.728	76%	0.761	S	S	*	*			trans	53.2	112.5	139.7	-57.3	174.7	0	0	0	120.8
730	S	28.5	Very low	32.1	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	76%	0.756	S	S	*	*				-175.7	171.4	112.8	41.3	0	0	0	0	112
731	Q	36.4	Very low	31.9	Very low	184 Å²	184	135 Å²	135	86%	0.86	75%	0.749	S	S	*	*			trans	-163.6	176.1	-168.7	-117.9	-166.6	31.8	0	0	109.6
732	P	48.9	Very low	32.2	Very low	93 Å²	93	134.9 Å²	134.9	60%	0.604	74%	0.744	S	S	*	*			cis	-141.5	170.4	-11.7	38.5	-20.1	0	0	0	117.4
733	M	31	Very low	32.2	Very low	142 Å²	142	135.7 Å²	135.7	70%	0.7	75%	0.745	S	S	*	*			trans	68.4	169	142.9	-80.8	-61.7	172.9	0	0	119.3	K735	M733-K735 HydrophobicContact CE-CD 4.18Å; M733-K735 HydrophobicContact CE-CG 4.48Å; M733-K735 HydrophobicContact SD-CB 4.41Å; M733-K735 HydrophobicContact SD-CD 4.29Å; M733-K735 HydrophobicContact SD-CG 3.95Å
734	P	44.1	Very low	32.3	Very low	129 Å²	129	136.7 Å²	136.7	84%	0.838	75%	0.749	S	S	*	*			cis	-117.9	-168	14.1	43.5	-30.4	0	0	0	117.4
735	K	31	Very low	32.4	Very low	157 Å²	157	134.7 Å²	134.7	68%	0.683	75%	0.747	S	S	*	*			trans	-140.2	154	-168.3	-89	-174.4	177.7	-177.8	0	113.2	M733	M733-K735 HydrophobicContact CE-CD 4.18Å; M733-K735 HydrophobicContact CE-CG 4.48Å; M733-K735 HydrophobicContact SD-CB 4.41Å; M733-K735 HydrophobicContact SD-CD 4.29Å; M733-K735 HydrophobicContact SD-CG 3.95Å
736	N	29.1	Very low	32.3	Very low	134 Å²	134	135.2 Å²	135.2	72%	0.717	74%	0.741	S	S	*	*			trans	66.2	149.3	146.8	-63.9	6.1	0	0	0	122
737	S	31.1	Very low	32.6	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	74%	0.739	S	S	*	*			trans	69.2	152	142.9	43.3	0	0	0	0	120.1
738	S	33.9	Very low	32.5	Very low	93 Å²	93	138.7 Å²	138.7	65%	0.65	75%	0.745	S	S	*	*			cis	-177.6	158.5	-15.5	53.4	0	0	0	0	112.5
739	T	32.8	Very low	32.4	Very low	129 Å²	129	139 Å²	139	79%	0.791	75%	0.745	S	S	*	*			trans	66.5	165.3	163.1	70.1	0	0	0	0	116.7
740	K	29.6	Very low	32.4	Very low	176 Å²	176	135.6 Å²	135.6	77%	0.765	74%	0.744	S	S	*	*			cis	-169.2	160.1	18.1	-145.3	-176.8	-179.6	-177.1	0	111.4
741	M	29.5	Very low	32.5	Very low	135 Å²	135	138.1 Å²	138.1	67%	0.665	74%	0.741	S	S	*	*			trans	71.1	127.5	157.2	-53.9	-156.7	69.7	0	0	117.8
742	Q	32.8	Very low	32.1	Very low	171 Å²	171	136.3 Å²	136.3	80%	0.799	73%	0.733	S	S	*	*				64.8	141.3	83.2	-69.6	-174.4	-9.1	0	0	114.5
743	S	29.8	Very low	31.2	Very low	98 Å²	98	137.9 Å²	137.9	69%	0.685	74%	0.736	S	S	*	*			cis	-159.1	152.9	11	48.2	0	0	0	0	114.7
744	L	29.8	Very low	31.1	Very low	161 Å²	161	139.5 Å²	139.5	84%	0.843	74%	0.739	S	S	*	*			trans	33.4	128.7	140.6	-56.5	172.3	0	0	0	121.9
745	L	32.2	Very low	30.4	Very low	152 Å²	152	144.3 Å²	144.3	80%	0.796	74%	0.741	S	S	*	*				179.6	146.5	109.8	-95.2	165.3	0	0	0	113.4
746	N	28.6	Very low	30.3	Very low	127 Å²	127	142.5 Å²	142.5	68%	0.679	74%	0.743	S	S	*	*			trans	50.8	131.9	157.6	-60.3	-4.6	0	0	0	120.3
747	I	35.2	Very low	30.4	Very low	143 Å²	143	143.8 Å²	143.8	73%	0.733	75%	0.746	S	S	*	*			cis	67.5	126.4	42.3	-50.2	170.3	0	0	0	110.1
748	Q	29.9	Very low	30.2	Very low	161 Å²	161	146 Å²	146	75%	0.752	74%	0.744	S	S	*	*			cis	-145.2	-168.4	30.4	-155.9	144.1	-7.2	0	0	115.3
749	E	27.3	Very low	29.9	Very low	167 Å²	167	146.7 Å²	146.7	78%	0.78	75%	0.745	S	S	*	*			trans	-90.3	168.6	-166.3	-50	139.1	111.4	0	0	115.9
750	G	28.3	Very low	29.6	Very low	69 Å²	69	146.4 Å²	146.4	71%	0.711	74%	0.743	S	S	*	*			trans	158.2	150.3	147.9	0	0	0	0	0	112.3
751	K	32	Very low	29.5	Very low	170 Å²	170	142.9 Å²	142.9	74%	0.739	74%	0.741	S	S	*	*			cis	168.5	140.1	-21.2	-126.5	179.6	168.6	-118.1	0	104.6
752	E	27.7	Very low	29.8	Very low	146 Å²	146	143.8 Å²	143.8	68%	0.682	75%	0.748	S	S	*	*			trans	63.9	154.3	154.4	-70.4	153	-148.7	0	0	119.5
753	D	29.9	Very low	29.7	Very low	125 Å²	125	142.4 Å²	142.4	67%	0.668	75%	0.746	S	S	*	*			cis	-167.2	170.5	-36.9	-140.9	-32	0	0	0	111.8
754	F	28.3	Very low	29.5	Very low	176 Å²	176	142.9 Å²	142.9	77%	0.772	75%	0.749	S	S	*	*			trans	67.9	140.3	161.6	-64.5	-66.9	0	0	0	125
755	R	30.2	Very low	29.3	Very low	231 Å²	231	140.5 Å²	140.5	87%	0.872	74%	0.744	S	S	*	*			trans	115.9	98.2	148	-63.9	-166.9	-175.7	-155.7	0	116
756	T	29.2	Very low	29	Very low	118 Å²	118	140.8 Å²	140.8	72%	0.724	74%	0.742	S	S	*	*				76.1	110.5	71.6	59.7	0	0	0	0	117.1
757	M	29.9	Very low	29.2	Very low	161 Å²	161	139.9 Å²	139.9	79%	0.793	75%	0.745	S	S	*	*			trans	65.1	154.9	145.4	-69.9	-178.5	137.7	0	0	118.3
758	E	27.2	Very low	29.2	Very low	156 Å²	156	137.7 Å²	137.7	73%	0.729	74%	0.743	S	S	*	*			cis	-148.9	-158.5	-4.1	-132.9	171.2	174.8	0	0	113.1
759	T	27.4	Very low	29.1	Very low	109 Å²	109	136.5 Å²	136.5	67%	0.669	74%	0.742	S	S	*	*			trans	-88.9	171.4	-159.3	51.4	0	0	0	0	118.3
760	T	27.1	Very low	29.5	Very low	122 Å²	122	133.6 Å²	133.6	75%	0.748	74%	0.735	S	S	*	*			trans	87.8	136.2	137.7	31.4	0	0	0	0	124.5
761	S	26.6	Very low	29.7	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	74%	0.739	S	S	*	*			trans	66.2	105.3	139.8	62.6	0	0	0	0	123.7
762	L	36.7	Very low	29.6	Very low	155 Å²	155	135 Å²	135	81%	0.812	74%	0.739	S	S	*	*				36.8	131.5	117.6	-72.8	173.6	0	0	0	122.7
763	N	29.4	Very low	29.8	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	74%	0.736	S	S	*	*			trans	110.5	145.2	138.5	-69.1	-13.6	0	0	0	121.1
764	S	26.6	Very low	29.9	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	74%	0.742	S	S	*	*			trans	99.2	138.6	154.7	74	0	0	0	0	121
765	C	25.2	Very low	30.3	Very low	110 Å²	110	131.8 Å²	131.8	74%	0.743	74%	0.744	S	S	*	*			trans	69.1	153.6	155.7	-69.2	0	0	0	0	121
766	E	25.4	Very low	30.5	Very low	159 Å²	159	128 Å²	128	74%	0.743	74%	0.741	S	S	*	*			cis	-176.3	134	-19	175.1	167.5	173.9	0	0	112.4
767	S	33.4	Very low	30.7	Very low	108 Å²	108	126 Å²	126	76%	0.755	74%	0.737	S	S	*	*			trans	55.3	168.9	159.5	-53	0	0	0	0	119.3
768	S	35.1	Very low	30.8	Very low	97 Å²	97	129.9 Å²	129.9	68%	0.678	74%	0.742	S	S	*	*			cis	-154.7	-179	2.6	-159.2	0	0	0	0	112.1
769	D	28.7	Very low	30.8	Very low	136 Å²	136	127 Å²	127	73%	0.727	74%	0.74	S	S	*	*			trans	76.8	137.2	153.6	-62.8	-0	0	0	0	119.5
770	T	35.4	Very low	30.8	Very low	105 Å²	105	128.4 Å²	128.4	64%	0.644	74%	0.742	S	S	*	*			cis	-160	139	-10.9	23.2	0	0	0	0	111.3
771	L	31.8	Very low	31.1	Very low	151 Å²	151	130.6 Å²	130.6	79%	0.791	74%	0.743	S	S	*	*			trans	48.5	144.6	137	-49.9	175.7	0	0	0	120.8
772	T	30.4	Very low	31.2	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	75%	0.749	S	S	*	*			cis	-170.2	155.2	-0.7	14.4	0	0	0	0	110.7
773	A	31.7	Very low	30.9	Very low	75 Å²	75	127.8 Å²	127.8	62%	0.62	75%	0.75	S	S	*	*			trans	62.2	151.1	143.2	0	0	0	0	0	121.5
774	D	32.8	Very low	31.2	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	75%	0.748	S	S	*	*			cis	-160.3	150.6	-20.8	-98.1	-24	0	0	0	109.8
775	D	35.9	Very low	31.6	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	75%	0.747	S	S	*	*			trans	40.7	155.8	148.5	-103.2	-27.9	0	0	0	127.6
776	D	34.8	Very low	33.1	Very low	151 Å²	151	131.3 Å²	131.3	81%	0.807	75%	0.745	S	S	*	*			trans	83	162.1	147.9	-119.3	-29.6	0	0	0	123.4
777	A	33.4	Very low	33.7	Very low	76 Å²	76	131.4 Å²	131.4	63%	0.628	75%	0.746	S	S	*	*			trans	-145	172.9	-152.3	0	0	0	0	0	117.2
778	R	31.8	Very low	34	Very low	242 Å²	242	134 Å²	134	91%	0.913	75%	0.746	S	S	*	*			trans	88.8	139.3	159.9	-46.4	178.8	-179.1	-177.8	1.6	119.9
779	S	26.1	Very low	34.1	Very low	96 Å²	96	135 Å²	135	67%	0.671	75%	0.753	S	S	*	*				92.9	105	123.4	177.9	0	0	0	0	124.1
780	I	29.2	Very low	34.4	Very low	138 Å²	138	133.3 Å²	133.3	71%	0.708	75%	0.752	S	S	*	*				85.9	120.7	122.2	-67.7	178	0	0	0	123.4
781	Q	32	Very low	34.4	Very low	168 Å²	168	133.8 Å²	133.8	79%	0.785	76%	0.755	S	S	*	*			trans	62.8	125	141.4	-67.9	170	14.9	0	0	127.1
782	S	30.1	Very low	34.6	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	76%	0.756	S	S	*	*				70.3	144.3	128	73.4	0	0	0	0	125
783	G	29.4	Very low	34.8	Very low	80 Å²	80	133 Å²	133	83%	0.825	76%	0.755	S	S	*	*			trans	152.3	78	153.3	0	0	0	0	0	123.1
784	E	35.1	Very low	35.1	Very low	155 Å²	155	135.5 Å²	135.5	72%	0.724	76%	0.762	S	S	*	*			trans	7	145	151.6	-68.2	-150	123	0	0	129.3
785	K	36.2	Very low	35.2	Very low	168 Å²	168	138 Å²	138	73%	0.73	77%	0.766	S	S	*	*				97.8	159.5	130	-80.8	176.6	172.5	120.4	0	125.3
786	P	56.3	Low	35.1	Very low	110 Å²	110	136.2 Å²	136.2	71%	0.714	77%	0.765	S	S	*	*			trans	-141	-166.8	-152	47.8	-30	0	0	0	118.3
787	Q	38	Very low	35.1	Very low	161 Å²	161	134.2 Å²	134.2	75%	0.752	76%	0.763	S	S	*	*			trans	172.5	148.1	132.3	-98.4	-172.8	28.7	0	0	121.3
788	Q	39.5	Very low	35.9	Very low	163 Å²	163	136 Å²	136	76%	0.762	77%	0.768	S	S	*	*			trans	74.3	141.2	145.6	-68.8	-171.7	45.5	0	0	128.2
789	S	37.8	Very low	36	Very low	118 Å²	118	131.3 Å²	131.3	83%	0.825	76%	0.757	S	S	*	*			trans	85.3	160.5	157.2	76.3	0	0	0	0	122.4
790	S	35	Very low	36.3	Very low	101 Å²	101	130.9 Å²	130.9	71%	0.706	75%	0.754	S	S	*	*			cis	-171.7	155.8	-39.2	61.2	0	0	0	0	117.1
791	T	36.1	Very low	36.5	Very low	115 Å²	115	132.8 Å²	132.8	71%	0.706	76%	0.759	S	S	*	*			trans	63.1	117.4	155.4	52.3	0	0	0	0	126.6
792	N	36.2	Very low	36.8	Very low	151 Å²	151	132.2 Å²	132.2	81%	0.807	76%	0.761	S	S	*	*			trans	77.5	160.2	138.3	-62.2	-1.5	0	0	0	123.3
793	S	34.6	Very low	36.8	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	76%	0.757	S	S	*	*			cis	-177.4	145.2	-30.2	63	0	0	0	0	117.1
794	V	36.8	Very low	36.8	Very low	129 Å²	129	133.6 Å²	133.6	78%	0.782	75%	0.753	S	S	*	*			trans	75.6	118.3	153.1	177.8	0	0	0	0	124.7
795	K	35.9	Very low	36.3	Very low	204 Å²	204	135 Å²	135	89%	0.887	76%	0.759	S	S	*	*			trans	57.9	147.4	157.6	-81.7	-179.3	177.7	-179.8	0	120.1
796	S	32.6	Very low	36.4	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	77%	0.765	S	S	*	*			cis	-146.4	177.9	5.2	52	0	0	0	0	114.3
797	S	35.2	Very low	35.9	Very low	110 Å²	110	137 Å²	137	77%	0.769	77%	0.77	S	S	*	*			trans	-66.8	171.8	-172.1	51.3	0	0	0	0	117
798	P	51.3	Low	35.5	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	77%	0.768	S	S	*	*			cis	-126.7	-164.8	11.7	46.2	-30.4	0	0	0	113.4
799	E	32.4	Very low	34.9	Very low	144 Å²	144	136.8 Å²	136.8	67%	0.673	77%	0.766	S	S	*	*			cis	-148.5	-177.2	5.3	-162.7	35.2	-91.8	0	0	111.5
800	S	33.7	Very low	34.6	Very low	87 Å²	87	139.6 Å²	139.6	61%	0.608	76%	0.764	S	S	*	*			trans	-125.3	151.8	-158.7	60.8	0	0	0	0	116.8
801	H	32.8	Very low	34.7	Very low	179 Å²	179	140.4 Å²	140.4	83%	0.829	76%	0.764	S	S	*	*			cis	-157.7	178.2	-26.2	-102.3	-36.2	0	0	0	110.7
802	L	37	Very low	34.4	Very low	156 Å²	156	143.4 Å²	143.4	82%	0.817	77%	0.77	S	S	*	*			trans	-109	166.7	-156.2	-85.9	165.9	0	0	0	117.4
803	T	30.1	Very low	33.8	Very low	122 Å²	122	144.8 Å²	144.8	75%	0.748	77%	0.772	S	S	*	*			trans	-27.7	155.8	152.1	46.6	0	0	0	0	116.8
804	S	29.5	Very low	33.4	Very low	105 Å²	105	147.5 Å²	147.5	73%	0.734	77%	0.773	S	S	*	*			cis	-168.6	-174.9	-2.5	178.7	0	0	0	0	109.6
805	E	25.6	Very low	33.1	Very low	184 Å²	184	149.3 Å²	149.3	86%	0.86	77%	0.773	S	S	*	*			trans	85.5	171.3	159.9	-47.1	-154.9	148.7	0	0	119.9
806	K	38.2	Very low	32.8	Very low	198 Å²	198	144.9 Å²	144.9	86%	0.861	76%	0.759	S	S	*	*			trans	-129.2	177.7	-165.3	-63.8	177.3	-178.9	173.1	0	108.3
807	P	45.5	Very low	32.6	Very low	124 Å²	124	146.3 Å²	146.3	81%	0.805	75%	0.753	S	S	*	*			cis	-140.9	-136.7	15.9	42.9	-19.6	0	0	0	115.1
808	Q	30.7	Very low	32.4	Very low	152 Å²	152	149 Å²	149	71%	0.71	75%	0.753	S	S	*	*			trans	-95.9	154.3	-167.5	-53.8	158.4	-68.3	0	0	113.8
809	F	27.1	Very low	31.5	Very low	167 Å²	167	148.8 Å²	148.8	73%	0.732	75%	0.75	S	S	*	*				165.8	135.9	106.6	-102.3	-69.3	0	0	0	117.7
810	K	31.2	Very low	31.3	Very low	177 Å²	177	148.7 Å²	148.7	77%	0.77	75%	0.754	S	S	*	*			trans	75.9	118.4	137.1	-104	169.7	-176.7	-179.3	0	126
811	T	36.2	Very low	32.2	Very low	118 Å²	118	150 Å²	150	72%	0.724	76%	0.76	S	S	*	*			trans	88	137.6	132.9	1.6	0	0	0	0	124.7
812	E	29.3	Very low	33.3	Very low	177 Å²	177	146.6 Å²	146.6	83%	0.827	75%	0.754	S	S	*	*			trans	86.9	118.9	139	-153.7	152	-116.7	0	0	121
813	E	24.1	Very low	33	Very low	180 Å²	180	144.3 Å²	144.3	84%	0.841	75%	0.751	S	S	*	*				-172.8	172.8	128	-106.9	-157.6	130.8	0	0	115
814	H	27.2	Very low	33.1	Very low	158 Å²	158	147 Å²	147	73%	0.731	75%	0.752	S	S	*	*			trans	-69.4	164.1	-157.4	-75	-79.2	0	0	0	123.1
815	Q	30.1	Very low	33	Very low	167 Å²	167	147.9 Å²	147.9	78%	0.78	75%	0.753	S	S	*	*				116.8	114.3	122	-108.4	-174.6	-51.4	0	0	124.3
816	D	28.8	Very low	33.1	Very low	111 Å²	111	144.5 Å²	144.5	59%	0.594	75%	0.746	S	S	*	*				92.6	146.5	126.2	-109.2	-48.6	0	0	0	127
817	H	28.8	Very low	32.7	Very low	145 Å²	145	141.5 Å²	141.5	67%	0.671	74%	0.737	S	S	*	*			trans	67.2	109.1	164.9	-56.3	-4.1	0	0	0	119.3
818	Q	31.3	Very low	32.1	Very low	165 Å²	165	143 Å²	143	77%	0.771	73%	0.734	S	S	*	*				84.6	140.9	72.7	-78.3	-173	97.3	0	0	116.3
819	V	31.1	Very low	32	Very low	109 Å²	109	145.1 Å²	145.1	66%	0.661	74%	0.741	S	S	*	*			cis	-170.4	150.7	-14.4	74	0	0	0	0	113.2
820	N	30.2	Very low	32.3	Very low	142 Å²	142	146.6 Å²	146.6	76%	0.759	75%	0.747	S	S	*	*			trans	51.5	156.2	155	-76.1	-9.3	0	0	0	124.4
821	P	52.2	Low	32.7	Very low	113 Å²	113	143.5 Å²	143.5	73%	0.734	75%	0.745	S	S	*	*			cis	-135.8	-140.2	-32	44.9	-24	0	0	0	112.8
822	P	55.6	Low	32.2	Very low	109 Å²	109	142.2 Å²	142.2	71%	0.708	74%	0.74	S	S	*	*				-139.1	-172.7	-126.7	41	-16.6	0	0	0	120
823	S	31.3	Very low	32.1	Very low	107 Å²	107	142.6 Å²	142.6	75%	0.748	74%	0.74	S	S	*	*			trans	80.7	161.7	157.2	89.8	0	0	0	0	117.7
824	K	31.5	Very low	32.3	Very low	178 Å²	178	142 Å²	142	77%	0.774	74%	0.742	S	S	*	*			cis	-167.9	156.7	-3	-133.4	170.9	-172.3	175.7	0	110.2
825	T	27.3	Very low	32.3	Very low	124 Å²	124	137.8 Å²	137.8	76%	0.761	74%	0.741	S	S	*	*			trans	61.2	175.5	154.6	44.4	0	0	0	0	120.1
826	T	28.2	Very low	32.4	Very low	113 Å²	113	140.6 Å²	140.6	69%	0.693	74%	0.744	S	S	*	*				-173.2	156.9	-51.2	-85.7	0	0	0	0	111.1
827	I	29.9	Very low	32.4	Very low	135 Å²	135	141.8 Å²	141.8	69%	0.692	75%	0.751	S	S	*	*			trans	89.3	128.7	160	-93.9	164.4	0	0	0	121.2
828	Q	31.2	Very low	32.4	Very low	157 Å²	157	141 Å²	141	73%	0.734	76%	0.756	S	S	*	*			trans	17.1	141.3	149.7	-47.2	167.8	9.4	0	0	122.3
829	K	28.9	Very low	32.6	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	76%	0.759	S	S	*	*				-172.7	135.5	105.1	-101.9	161.3	-174.6	173.9	0	115.7
830	K	33	Very low	33.3	Very low	199 Å²	199	143.4 Å²	143.4	87%	0.865	77%	0.768	S	S	*	*			trans	-70.6	151.8	144.5	-92.4	-179.7	177.9	177.3	0	107.6
831	P	39.9	Very low	33.3	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	77%	0.769	S	S	*	*				-148.8	150.5	62.3	48.1	-30.2	0	0	0	114.2
832	S	26.8	Very low	32.5	Very low	91 Å²	91	140 Å²	140	64%	0.636	77%	0.77	S	S	*	*				93.4	147.4	76.9	81.8	0	0	0	0	117
833	F	27.2	Very low	31.6	Very low	185 Å²	185	142.4 Å²	142.4	81%	0.811	77%	0.772	S	S	*	*			trans	76.2	133.6	149.8	-82.5	-62	0	0	0	122.7
834	L	28.7	Very low	31.8	Very low	169 Å²	169	141.7 Å²	141.7	89%	0.885	77%	0.767	S	S	*	*			trans	59.4	148	155	-100.9	62.9	0	0	0	118.9
835	G	27.4	Very low	32	Very low	69 Å²	69	143.4 Å²	143.4	71%	0.711	77%	0.769	S	S	*	*			cis	-171	-178.1	3	0	0	0	0	0	115.3
836	R	30.4	Very low	32.5	Very low	226 Å²	226	143.4 Å²	143.4	85%	0.853	77%	0.768	S	S	*	*			trans	-59	144.7	-175.7	-88.2	177	169.6	173.8	-3.7	116.3
837	N	29.6	Very low	32.4	Very low	136 Å²	136	148.7 Å²	148.7	73%	0.727	78%	0.777	S	S	*	*			trans	67	159.8	146	-50.2	-9.2	0	0	0	116.2
838	T	28.7	Very low	32.6	Very low	129 Å²	129	145.7 Å²	145.7	79%	0.791	77%	0.768	S	S	*	*			cis	-150.9	178.5	19.1	-35.7	0	0	0	0	112.3
839	K	35.7	Very low	32.8	Very low	192 Å²	192	148 Å²	148	84%	0.835	77%	0.77	S	S	*	*			trans	-50.5	173	166.7	-52	178.4	-178.1	179.4	0	113.6
840	P	45.7	Very low	33	Very low	131 Å²	131	146.6 Å²	146.6	85%	0.851	76%	0.764	S	S	*	*			cis	-136.7	-146.7	14	42.8	-21.4	0	0	0	115
841	A	30.8	Very low	32.9	Very low	94 Å²	94	144.8 Å²	144.8	78%	0.777	76%	0.759	S	S	*	*			trans	-136	-176.5	-169.7	0	0	0	0	0	113.2
842	A	35.1	Very low	33.4	Very low	91 Å²	91	143.2 Å²	143.2	75%	0.752	75%	0.749	S	S	*	*			trans	79.6	148.3	170.6	0	0	0	0	0	115.8
843	E	36.1	Very low	33.4	Very low	158 Å²	158	148.2 Å²	148.2	74%	0.738	76%	0.759	S	S	*	*			cis	-164.2	179.9	-4.6	-133.9	-179.1	-129	0	0	113.4
844	S	34.9	Very low	33.3	Very low	93 Å²	93	144 Å²	144	65%	0.65	75%	0.752	S	S	*	*			trans	79.1	152.7	159.6	81.7	0	0	0	0	119.1
845	R	36.5	Very low	33.3	Very low	214 Å²	214	140.8 Å²	140.8	81%	0.808	74%	0.744	S	S	*	*			cis	-169.7	173.2	-15.4	-103.6	163.4	-152.9	164.2	7.1	107.6
846	V	37	Very low	33.4	Very low	124 Å²	124	144.4 Å²	144.4	75%	0.752	75%	0.747	S	S	*	*				-175.1	131.4	-54.5	137.8	0	0	0	0	108.7
847	Y	27	Very low	33.3	Very low	223 Å²	223	140.1 Å²	140.1	88%	0.875	74%	0.736	S	S	*	*			trans	-149.2	135.3	167.3	-106.8	-91.6	0	0	0	110
848	S	33.1	Very low	33.2	Very low	73 Å²	73	141.9 Å²	141.9	51%	0.51	74%	0.738	S	S	.	*			cis	97.2	129.4	17.8	-175.2	0	0	0	0	113.6
849	R	37.3	Very low	33.1	Very low	204 Å²	204	145.2 Å²	145.2	77%	0.77	74%	0.741	S	S	*	*			cis	-171.3	159.7	0.4	-110.8	-176.1	-142.2	168.9	4.7	113.2
850	F	32.8	Very low	32.5	Very low	167 Å²	167	141.2 Å²	141.2	73%	0.732	74%	0.737	S	S	*	*			trans	72.1	146	143.9	-77.2	-148.2	0	0	0	120.6
851	E	30.7	Very low	31.5	Very low	161 Å²	161	139.6 Å²	139.6	75%	0.752	73%	0.729	S	S	*	*			cis	91.8	163.6	39.1	-107.2	-157	-139	0	0	114.5
852	P	49.9	Very low	31.2	Very low	78 Å²	78	142.6 Å²	142.6	51%	0.506	73%	0.731	S	S	.	*			cis	-140.3	-171.4	10.1	42.4	-22.1	0	0	0	117.3
853	F	26.3	Very low	30.8	Very low	196 Å²	196	146 Å²	146	86%	0.86	74%	0.736	S	S	*	*			trans	157.9	175.7	131	-85.5	-59.3	0	0	0	116.7
854	S	25.4	Very low	30.3	Very low	95 Å²	95	142.6 Å²	142.6	66%	0.664	73%	0.73	S	S	*	*			trans	-155	152.7	-146.7	57.8	0	0	0	0	120
855	S	28.2	Very low	30.1	Very low	102 Å²	102	142 Å²	142	71%	0.713	74%	0.737	S	S	*	*			trans	74.7	170.5	146.6	82.2	0	0	0	0	119.6
856	L	30.5	Very low	29.6	Very low	146 Å²	146	135.8 Å²	135.8	76%	0.764	73%	0.727	S	S	*	*			cis	-160.3	151.5	0.4	-156.9	75.1	0	0	0	113.8
857	E	27.7	Very low	29.2	Very low	136 Å²	136	138.3 Å²	138.3	64%	0.636	73%	0.728	S	S	*	*			trans	69.3	150.3	144.1	-104.9	-161.9	141.7	0	0	128.3
858	K	28.5	Very low	29.2	Very low	173 Å²	173	139 Å²	139	75%	0.752	73%	0.729	S	S	*	*			trans	90.9	159.1	144	-85.1	175.5	173.7	86	0	123.4
859	K	25.5	Very low	28.9	Very low	198 Å²	198	139.7 Å²	139.7	86%	0.861	74%	0.739	S	S	*	*			trans	-101.3	156.9	-163.5	-54.5	170.9	179	174.2	0	113.2
860	S	24.2	Very low	28.4	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	75%	0.746	S	S	*	*				160.9	169.3	118.5	54.3	0	0	0	0	114.4
861	S	24.9	Very low	28.1	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	74%	0.742	S	S	*	*			trans	51.9	108.9	161	43.4	0	0	0	0	119.2
862	L	24.5	Very low	27.9	Very low	156 Å²	156	138.3 Å²	138.3	82%	0.817	75%	0.75	S	S	*	*				78.6	106.9	81.6	-76.5	169.2	0	0	0	115.6
863	L	26.8	Very low	26.7	Very low	164 Å²	164	139.6 Å²	139.6	86%	0.859	76%	0.762	S	S	*	*				55.3	148.2	121.5	-101.7	166.3	0	0	0	122.7
864	S	24.8	Very low	26.7	Very low	86 Å²	86	137.4 Å²	137.4	60%	0.601	76%	0.758	S	S	*	*			trans	90	76.8	151.8	-172	0	0	0	0	120.1	S866	S864-S866 VanDerWaalsContact OG-CB 3.3Å; S864-S866 WeakPolarHBondContact OG-CB 3.3Å; S864-S866 PolarHBondContact OG-OG 3.28Å
865	G	31.4	Very low	26.7	Very low	79 Å²	79	139.1 Å²	139.1	81%	0.814	77%	0.765	S	S	*	*			trans	-141.9	89.8	139.9	0	0	0	0	0	109.8
866	S	25.9	Very low	26.5	Very low	84 Å²	84	145.3 Å²	145.3	59%	0.587	77%	0.772	S	S	*	*			cis	64.6	120.2	23.8	-138.3	0	0	0	0	110.1	S864	S864-S866 VanDerWaalsContact OG-CB 3.3Å; S864-S866 WeakPolarHBondContact OG-CB 3.3Å; S864-S866 PolarHBondContact OG-OG 3.28Å
867	K	26.9	Very low	26.4	Very low	177 Å²	177	141.2 Å²	141.2	77%	0.77	77%	0.765	S	S	*	*			cis	-144.8	159.9	20.4	-66.6	164.3	-172.9	166.1	0	107.5
868	R	28.9	Very low	26.3	Very low	238 Å²	238	143.2 Å²	143.2	90%	0.898	78%	0.775	S	S	*	*			cis	58.2	65.7	27.9	-152.8	-179.2	-169.5	-172.9	4.9	115.8
869	A	26.7	Very low	26.3	Very low	87 Å²	87	139.7 Å²	139.7	72%	0.719	78%	0.778	S	S	*	*			trans	-133.4	134.7	163.3	0	0	0	0	0	108.2
870	Q	26.8	Very low	26.4	Very low	195 Å²	195	134.3 Å²	134.3	91%	0.911	77%	0.77	S	S	*	*			cis	-128.4	164.1	-0.2	-66.7	-170.1	-2	0	0	112.5
871	S	25.4	Very low	26.6	Very low	93 Å²	93	137.7 Å²	137.7	65%	0.65	77%	0.772	S	S	*	*			trans	-126.7	148.1	173	53.2	0	0	0	0	110.7
872	K	25.9	Very low	26.7	Very low	215 Å²	215	141.5 Å²	141.5	94%	0.935	78%	0.779	S	S	*	*			trans	158.4	145.1	158.7	-89.4	153.5	-174.7	-175.7	0	107
873	S	26.2	Very low	26.9	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	78%	0.776	S	S	*	*			cis	-131.5	150.2	-2.9	41.7	0	0	0	0	108.1
874	L	24.7	Very low	26.9	Very low	150 Å²	150	134.7 Å²	134.7	79%	0.785	77%	0.769	S	S	*	*				69	129.8	56	-145.7	173.2	0	0	0	111.7
875	T	27.3	Very low	27.3	Very low	131 Å²	131	138.3 Å²	138.3	80%	0.804	78%	0.777	S	S	*	*			trans	91.2	158.6	-168.9	74.6	0	0	0	0	115.4
876	R	24	Very low	27.2	Very low	231 Å²	231	140.1 Å²	140.1	87%	0.872	77%	0.768	S	S	*	*			cis	172.3	144.4	-43.3	171.3	178.4	174.1	-171.3	-1.5	106.8
877	G	26.8	Very low	27.5	Very low	60 Å²	60	144.5 Å²	144.5	62%	0.619	78%	0.779	S	S	*	*			trans	99.2	131.2	179.1	0	0	0	0	0	110.6
878	E	26	Very low	27.8	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	77%	0.772	S	S	*	*			cis	84	125.1	34.9	-62.2	-175.7	105.8	0	0	115.5
879	A	28.1	Very low	28	Very low	99 Å²	99	134.7 Å²	134.7	82%	0.818	77%	0.768	S	S	*	*			trans	77.2	137.7	145.6	0	0	0	0	0	122.2
880	A	28.9	Very low	28.2	Very low	85 Å²	85	142.7 Å²	142.7	70%	0.702	78%	0.78	S	S	*	*			trans	82.2	124.2	131.8	0	0	0	0	0	123.2
881	F	27.6	Very low	28.4	Very low	181 Å²	181	137 Å²	137	79%	0.794	77%	0.773	S	S	*	*			trans	73.8	129	131.3	-85.2	-112	0	0	0	123.4
882	E	26.9	Very low	28.8	Very low	176 Å²	176	142 Å²	142	82%	0.822	79%	0.786	S	S	*	*			trans	57.1	156.8	139.5	-70.1	-175.1	141.9	0	0	124.3
883	G	29.1	Very low	29.5	Very low	74 Å²	74	140.9 Å²	140.9	76%	0.763	78%	0.784	S	S	*	*			trans	82.8	100.5	165.8	0	0	0	0	0	115.8
884	S	27.5	Very low	30.5	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	78%	0.78	S	S	*	*			cis	98.6	127.6	34.1	-165.7	0	0	0	0	113.9
885	H	31.8	Very low	31.9	Very low	162 Å²	162	141 Å²	141	75%	0.75	77%	0.773	S	S	*	*			trans	68.6	145.8	174.5	-70	46.1	0	0	0	116.2
886	N	30	Very low	33.4	Very low	117 Å²	117	143.8 Å²	143.8	63%	0.626	77%	0.774	S	S	*	*			cis	-154.5	156.6	-0.8	-128.9	-11.7	0	0	0	113.3
887	Q	32.8	Very low	34.9	Very low	176 Å²	176	138.9 Å²	138.9	82%	0.822	76%	0.764	S	S	*	*			trans	32.5	146.1	147.9	-70.3	-179.5	-12.9	0	0	123
888	A	31.7	Very low	36.1	Very low	77 Å²	77	142.3 Å²	142.3	64%	0.636	76%	0.764	S	S	*	*			cis	-173.1	176.1	-7.7	0	0	0	0	0	113.6
889	T	33.1	Very low	37.7	Very low	132 Å²	132	139.4 Å²	139.4	81%	0.81	75%	0.749	S	S	*	*			trans	92.9	138.4	157.1	76.8	0	0	0	0	121
890	R	31.5	Very low	39.5	Very low	256 Å²	256	141 Å²	141	97%	0.966	74%	0.737	S	S	*	*			trans	57.7	136.8	173.4	-70	178.8	167.2	173.5	-4.4	117.2
891	G	30.9	Very low	40.9	Very low	75 Å²	75	143.6 Å²	143.6	77%	0.773	73%	0.733	S	S	*	*			cis	164.8	118.7	-8.6	0	0	0	0	0	111.5
892	H	35.2	Very low	42.2	Very low	197 Å²	197	142.3 Å²	142.3	91%	0.912	73%	0.729	S	S	*	*			trans	-115	145.6	-176.1	-94.1	-68.3	0	0	0	113.1
893	Q	39.7	Very low	43.4	Very low	192 Å²	192	143.7 Å²	143.7	90%	0.897	73%	0.727	S	S	*	*			trans	-90.3	143.8	169.7	-70.1	-179	-31.9	0	0	111.3
894	E	46.5	Very low	44.9	Very low	140 Å²	140	143.7 Å²	143.7	65%	0.654	71%	0.712	S	S	*	*			trans	-93.5	139.1	178.6	-59.4	-169	127.3	0	0	113.4	K896 K899	E894-K896 PolarHBondContact O-N 2.72Å; E894-K899 IonicContact OE1-NZ 2.74Å; E894-K899 PolarHBondContact OE1-NZ 3.02Å; E894-K899 IonicContact OE2-NZ 3.19Å; E894-K899 PolarHBondContact OE2-NZ 3.35Å
895	N	53.8	Low	46	Very low	120 Å²	120	141 Å²	141	64%	0.642	70%	0.7	S	S	*	*			trans	-80.4	105.1	172.8	-74	-34.4	0	0	0	111.7	L897 E898	N895-L897 VanDerWaalsContact C-N 3.25Å; N895-L897 PolarHBondContact O-N 2.69Å; N895-E898 PolarHBondContact O-N 2.95Å
896	K	59.4	Low	46.8	Very low	189 Å²	189	136.6 Å²	136.6	82%	0.822	69%	0.688	S	S	*	*	H	α-helix	trans	-62.7	-26.3	-178.9	-65.5	-178.5	179.9	177.8	0	114.4	E894 E898 F900	E894-K896 PolarHBondContact O-N 2.72Å; K896-E898 PolarHBondContact O-N 3.08Å; K896-F900 PolarHBondContact O-N 3.22Å
897	L	54.8	Low	47.6	Very low	128 Å²	128	137.9 Å²	137.9	67%	0.67	69%	0.694	S	S	*	*	H	α-helix	trans	-65.6	-36.3	-179.2	-167.6	71.8	0	0	0	112.7	N895 F900 F901	N895-L897 VanDerWaalsContact C-N 3.25Å; N895-L897 PolarHBondContact O-N 2.69Å; L897-F900 WeakPolarHBondContact O-CB 3.47Å; L897-F900 PolarHBondContact O-N 3.33Å; L897-F900 VanDerWaalsContact O-N 3.16Å; L897-F901 HydrophobicContact CD1-CE2 4.31Å; L897-F901 HydrophobicContact CG-CD2 4.4Å; L897-F901 HydrophobicContact CG-CE2 4.11Å; L897-F901 WeakPolarHBondContact O-CD2 3.38Å; L897-F901 PolarHBondContact O-N 3.2Å
898	E	52.3	Low	48.4	Very low	131 Å²	131	137 Å²	137	61%	0.612	69%	0.694	S	S	*	*	H	α-helix	trans	-68.9	-39.6	-177.6	-169.5	163.1	-157.6	0	0	111.5	N895 K896 F900 F901 H902	N895-E898 PolarHBondContact O-N 2.95Å; K896-E898 PolarHBondContact O-N 3.08Å; E898-F900 PolarHBondContact O-N 3.04Å; E898-F901 PolarHBondContact O-N 3.34Å; E898-H902 PolarHBondContact O-N 2.71Å
899	K	61	Low	49.2	Very low	118 Å²	118	137.8 Å²	137.8	51%	0.513	70%	0.695	S	S	.	*	H	α-helix	trans	-64.4	-23.4	172.5	-66.5	-174.3	178.3	-178.9	0	113	E894 R903	E894-K899 IonicContact OE1-NZ 2.74Å; E894-K899 PolarHBondContact OE1-NZ 3.02Å; E894-K899 IonicContact OE2-NZ 3.19Å; E894-K899 PolarHBondContact OE2-NZ 3.35Å; K899-R903 WeakPolarHBondContact O-CB 3.41Å; K899-R903 PolarHBondContact O-N 2.89Å
900	F	65.5	Low	49.9	Very low	131 Å²	131	140 Å²	140	58%	0.575	69%	0.693	S	S	*	*	H	α-helix	trans	-72.5	-51.1	174.3	-175	-99.6	0	0	0	111.7	K896 L897 E898 H902 R903 V904	K896-F900 PolarHBondContact O-N 3.22Å; L897-F900 WeakPolarHBondContact O-CB 3.47Å; L897-F900 PolarHBondContact O-N 3.33Å; L897-F900 VanDerWaalsContact O-N 3.16Å; E898-F900 PolarHBondContact O-N 3.04Å; F900-H902 VanDerWaalsContact C-N 3.34Å; F900-H902 PolarHBondContact O-N 3.29Å; F900-R903 PolarHBondContact O-N 2.76Å; F900-V904 HydrophobicContact CD1-CG2 4.32Å; F900-V904 HydrophobicContact CE1-CG2 3.95Å; F900-V904 HydrophobicContact CE2-CG2 4.44Å; F900-V904 HydrophobicContact CZ-CG2 4.01Å; F900-V904 PolarHBondContact O-N 2.92Å
901	F	58.4	Low	50.6	Low	141 Å²	141	135.6 Å²	135.6	62%	0.618	69%	0.689	S	S	*	*	H	α-helix	trans	-62.5	-37.9	179.6	-77.6	-75.3	0	0	0	113	L897 E898 R903 G905	L897-F901 HydrophobicContact CD1-CE2 4.31Å; L897-F901 HydrophobicContact CG-CD2 4.4Å; L897-F901 HydrophobicContact CG-CE2 4.11Å; L897-F901 WeakPolarHBondContact O-CD2 3.38Å; L897-F901 PolarHBondContact O-N 3.2Å; E898-F901 PolarHBondContact O-N 3.34Å; F901-R903 VanDerWaalsContact C-N 3.33Å; F901-R903 PolarHBondContact O-N 2.77Å; F901-G905 PolarHBondContact O-N 3.45Å
902	H	53.6	Low	51	Low	153 Å²	153	145.2 Å²	145.2	71%	0.708	71%	0.709	S	S	*	*	H	α-helix	trans	-62.9	-36.2	171.1	-93.4	-4.2	0	0	0	113.2	E898 F900 S906	E898-H902 PolarHBondContact O-N 2.71Å; F900-H902 VanDerWaalsContact C-N 3.34Å; F900-H902 PolarHBondContact O-N 3.29Å; H902-S906 WeakPolarHBondContact O-CB 3.3Å; H902-S906 PolarHBondContact O-N 3.38Å
903	R	53.9	Low	51.8	Low	205 Å²	205	142.6 Å²	142.6	77%	0.774	70%	0.699	S	S	*	*	H	α-helix	trans	-73.1	-36.3	-179	-150.2	172.9	-158.2	173.6	5.3	112.8	K899 F900 F901	K899-R903 WeakPolarHBondContact O-CB 3.41Å; K899-R903 PolarHBondContact O-N 2.89Å; F900-R903 PolarHBondContact O-N 2.76Å; F901-R903 VanDerWaalsContact C-N 3.33Å; F901-R903 PolarHBondContact O-N 2.77Å
904	V	59.3	Low	52.4	Low	74 Å²	74	140 Å²	140	45%	0.448	69%	0.689	S	S	.	*	H	α-helix	trans	-71.6	-44	174.5	179	0	0	0	0	111.1	F900 S906 L907	F900-V904 HydrophobicContact CD1-CG2 4.32Å; F900-V904 HydrophobicContact CE1-CG2 3.95Å; F900-V904 HydrophobicContact CE2-CG2 4.44Å; F900-V904 HydrophobicContact CZ-CG2 4.01Å; F900-V904 PolarHBondContact O-N 2.92Å; V904-S906 PolarHBondContact O-N 2.77Å; V904-L907 PolarHBondContact O-N 2.9Å
905	G	50.4	Low	52.8	Low	46 Å²	46	140 Å²	140	47%	0.474	69%	0.691	S	S	.	*	H	α-helix	trans	-60.1	-30.6	177.1	0	0	0	0	0	113.9	F901 L907	F901-G905 PolarHBondContact O-N 3.45Å; G905-L907 PolarHBondContact O-N 3.42Å
906	S	48.2	Very low	52.7	Low	71 Å²	71	141.2 Å²	141.2	50%	0.497	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-7.8	179.6	-173.7	0	0	0	0	115.3	H902 V904	H902-S906 WeakPolarHBondContact O-CB 3.3Å; H902-S906 PolarHBondContact O-N 3.38Å; V904-S906 PolarHBondContact O-N 2.77Å
907	L	48	Very low	52.3	Low	143 Å²	143	138.2 Å²	138.2	75%	0.749	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-18.1	179.4	-80.4	163.5	0	0	0	113.8	V904 G905	V904-L907 PolarHBondContact O-N 2.9Å; G905-L907 PolarHBondContact O-N 3.42Å
908	L	48.6	Very low	52.1	Low	159 Å²	159	138.9 Å²	138.9	83%	0.832	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-4	-178.7	-83.8	156.4	0	0	0	114.1
909	S	48.5	Very low	52.1	Low	93 Å²	93	139.4 Å²	139.4	65%	0.65	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	11.5	-178.4	56.1	0	0	0	0	114.5
910	K	48.8	Very low	51.4	Low	178 Å²	178	141.1 Å²	141.1	77%	0.774	71%	0.706	S	S	*	*	S	Bend	trans	-117.2	15	-176.6	-96.9	-170	173	-172.4	0	116
911	N	46.1	Very low	50.3	Low	163 Å²	163	141.9 Å²	141.9	87%	0.872	72%	0.717	S	S	*	*			trans	-131.7	70.6	168.3	-87.8	-28.7	0	0	0	110.1
912	K	39.4	Very low	49.5	Very low	277 Å²	277	142 Å²	142	100%	1.204	73%	0.726	S	S	*	*			trans	-154.8	0	163.9	-105.1	-167.6	176.9	-174.3	0	109.2

Retrieved 912 of 912 residues in 794.4 ms (Link to these results)

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