A0A096MVD4_PAPAN Loading...

Dimethylglycine dehydrogenase, mitochondrial

Catalyzes the demethylation of N,N-dimethylglycine to sarcosine. Also has activity with sarcosine in vitro.

AlphaFold DB , UniProt , Accession A0A096MVD4, Species PAPAN (Papio anubis, Olive baboon), Gene DMGDH, Length 866 aa.

						>A0A096MVD4_PAPAN|A0A096MVD4|DMGDH
MLRPGGQRLRGLLLRSCPRRGSPGRPHSVCGREGEEKPPSSAETQWKDRAETVIIGGGCVGVSLAYHLAKAGMKDVVLLEKSELTAGSTWHAAGLTTYFHPGINLKKIHYDSIKLYEKLEEETGQVVGFHQPGSIRLATTPVRVDEFKYQMTRTGWHATEQYIIEPEKIQEMFPLLNMNKVLAGLYNPGDGHIDPYSLTMALAAGARKYGALLKYPAPVTSLKARSDGTWDVETPQGSMRANRIVNAAGFWAREVGKMIGLEHPLIPVQHQYVVTSTIPEVKALKRELPVLRDLEGSYYLRQERDGLLFGPYESQEKMKVQDSWVTNGVPPGFGKELFESDLDRIMEHIEAAMEMVPVLKKADIINVVNGPITYSPDILPMVGPHQGVRNYWVAIGFGYGIIHAGGVGKYLSDWILHGEPPFDLIELDPNRYGKWTTTQYTEAKARESYGFNNIVGYPKEERFAGRPTQRVSGLYQRLESKCSMGFHAGWEQPHWFYKLGQDTQYRPSFRRTNWFEPVGSEYKQVMQRVGVTDLSPFGKFNIKGQDSIRLLDHLFANVIPKVGFTNISHMLTPKGRVYAELTVSHQSPGEFLLITGSGSELHDLRWIEEEAVKGGYDVEIKNITDELGVLGVAGPQARKVLQKLTSEDLSDDVFKFLQTKSLKVSNIPVTAIRISYTGELGWELYHRREDSVALYDAIMNAGQEEEIDNFGTYAMNALRLEKAFRAWGSEMNCDTNPLEAGLEYFVKLNKPADFIGKQALKQIKAKGLKRRLVCLTLATDDVDPEGNESIWYNGKVVGNTTSGSYSYSIQKSLAFAYVPVELSEVGQQVEVELLGKNYPAVVIQQPLVLTEPTRNRLQKKGGKDKT
					

Structure Viewer

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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	33.3	Very low	31	Very low	245 Å²	245	158.6 Å²	158.6	100%	1.207	85%	0.846	S	S	*	*				0	136	0	-86.6	174.4	-177	0	0	109.1
2	L	29.7	Very low	30.7	Very low	174 Å²	174	159.6 Å²	159.6	91%	0.911	85%	0.85	S	S	*	*			trans	-18.3	131.5	175	-67.9	143.4	0	0	0	119.6
3	R	26.2	Very low	30.4	Very low	233 Å²	233	158.6 Å²	158.6	88%	0.879	84%	0.843	S	S	*	*			trans	-34	-177.1	141.7	-84.8	-169.4	-170.1	-165.3	4.4	114.8
4	P	52.6	Low	30.2	Very low	123 Å²	123	156.7 Å²	156.7	80%	0.799	83%	0.833	S	S	*	*			cis	-144.3	-171.3	-37	38.9	-20.5	0	0	0	112.9
5	G	27.5	Very low	30	Very low	80 Å²	80	161.1 Å²	161.1	83%	0.825	83%	0.833	S	S	*	*			trans	166.7	137.1	149.8	0	0	0	0	0	111.7
6	G	27.5	Very low	29.8	Very low	75 Å²	75	157.8 Å²	157.8	77%	0.773	83%	0.828	S	S	*	*			cis	176.2	141.3	0.6	0	0	0	0	0	109
7	Q	31.1	Very low	29.5	Very low	167 Å²	167	155.9 Å²	155.9	78%	0.78	83%	0.83	S	S	*	*			trans	-10.7	162.8	153.2	-67.4	-175.9	-7.5	0	0	119.5
8	R	29.3	Very low	30.3	Very low	196 Å²	196	153.2 Å²	153.2	74%	0.74	82%	0.822	S	S	*	*			cis	-179.9	175.5	0.1	-108.8	176.6	179.6	-162.3	1.4	107.2
9	L	27.5	Very low	30.2	Very low	151 Å²	151	156.7 Å²	156.7	79%	0.791	82%	0.823	S	S	*	*			trans	113.7	141	149.2	-65.4	160.6	0	0	0	113.2
10	R	29.9	Very low	30.1	Very low	230 Å²	230	160.7 Å²	160.7	87%	0.868	83%	0.826	S	S	*	*			cis	171.5	150.9	-20	-123.9	-167.5	-174.3	-168	-0.4	106.3
11	G	26.5	Very low	30	Very low	71 Å²	71	156.9 Å²	156.9	73%	0.732	83%	0.826	S	S	*	*			trans	81	144.9	159.4	0	0	0	0	0	116.4
12	L	27.2	Very low	29.8	Very low	170 Å²	170	150.9 Å²	150.9	89%	0.89	81%	0.808	S	S	*	*			cis	-162.1	140.6	10.1	-141.1	89.2	0	0	0	110.9
13	L	27.5	Very low	30.3	Very low	147 Å²	147	149 Å²	149	77%	0.77	81%	0.806	S	S	*	*			trans	-5	142.7	152.2	-86.4	150.2	0	0	0	124.8
14	L	27.2	Very low	30.3	Very low	132 Å²	132	141.7 Å²	141.7	69%	0.691	80%	0.803	S	S	*	*			trans	111.2	116.6	132.6	-71.7	153.9	0	0	0	122.8
15	R	27.3	Very low	29.1	Very low	223 Å²	223	147.6 Å²	147.6	84%	0.842	81%	0.81	S	S	*	*			trans	70	124.9	130.5	-76.4	-178.9	-174	-157.9	0.5	124.9
16	S	26.8	Very low	29.3	Very low	108 Å²	108	149.5 Å²	149.5	76%	0.755	81%	0.808	S	S	*	*			trans	73.8	113.9	133	60.9	0	0	0	0	124.4
17	C	24.8	Very low	29.4	Very low	126 Å²	126	154.6 Å²	154.6	85%	0.851	81%	0.811	S	S	*	*			trans	27.9	164.6	135.7	-72.7	0	0	0	0	123.1
18	P	43.1	Very low	29.4	Very low	107 Å²	107	152.2 Å²	152.2	70%	0.695	81%	0.813	S	S	*	*				-136.8	173.3	-54.9	40	-21.6	0	0	0	114.8
19	R	28.3	Very low	29.5	Very low	220 Å²	220	149 Å²	149	83%	0.83	82%	0.815	S	S	*	*			trans	78.8	127.1	153.6	-78.8	-175.6	-177.7	-170.8	1.5	123.5
20	R	29	Very low	29.5	Very low	236 Å²	236	148 Å²	148	89%	0.891	82%	0.819	S	S	*	*			trans	95.9	122.6	140	-79.4	-177.9	178.7	-170.1	0.4	120.5
21	G	27.3	Very low	29.5	Very low	80 Å²	80	140.6 Å²	140.6	83%	0.825	81%	0.814	S	S	*	*			trans	144	97	152.4	0	0	0	0	0	115.4
22	S	28.7	Very low	29.7	Very low	120 Å²	120	148.9 Å²	148.9	84%	0.839	82%	0.823	S	S	*	*			trans	-71.3	163.8	161.7	-47.7	0	0	0	0	110.1
23	P	40.2	Very low	30	Very low	134 Å²	134	149.9 Å²	149.9	87%	0.87	82%	0.823	S	S	*	*			cis	-148.6	175.8	39.5	39	-16.6	0	0	0	117.4
24	G	26.5	Very low	30.1	Very low	79 Å²	79	146.5 Å²	146.5	81%	0.814	82%	0.824	S	S	*	*			trans	130.1	116.1	154.3	0	0	0	0	0	117.3
25	R	28.9	Very low	30.3	Very low	248 Å²	248	149.2 Å²	149.2	94%	0.936	83%	0.833	S	S	*	*			trans	-59.8	169.5	179.9	-75.1	178.1	179.6	-175.2	-0.7	114.8
26	P	30.9	Very low	30.8	Very low	120 Å²	120	147.6 Å²	147.6	78%	0.779	84%	0.835	S	S	*	*			cis	-134.9	146.6	20.7	37.2	-17.7	0	0	0	116.6
27	H	28.9	Very low	31.2	Very low	181 Å²	181	151.8 Å²	151.8	84%	0.838	84%	0.84	S	S	*	*			trans	-106.1	122.5	167.8	-85.1	-55.1	0	0	0	110.9	V29	H27-V29 HydrophobicContact CB-CG2 4.41Å
28	S	32.8	Very low	31.8	Very low	118 Å²	118	151.2 Å²	151.2	83%	0.825	83%	0.834	S	S	*	*			trans	-64.8	133.5	150.2	50.4	0	0	0	0	108.9
29	V	29.5	Very low	31.6	Very low	129 Å²	129	150.1 Å²	150.1	78%	0.782	83%	0.827	S	S	*	*			trans	-126.2	105	173.5	178.8	0	0	0	0	107.8	H27	H27-V29 HydrophobicContact CB-CG2 4.41Å
30	C	28.3	Very low	32.1	Very low	129 Å²	129	143.2 Å²	143.2	87%	0.872	81%	0.812	S	S	*	*			trans	-67.3	142.5	156	-112.7	0	0	0	0	108.9
31	G	30	Very low	32.9	Very low	74 Å²	74	137 Å²	137	76%	0.763	81%	0.806	S	S	*	*			trans	-62.7	157.8	-165.8	0	0	0	0	0	116.8
32	R	29.8	Very low	34	Very low	245 Å²	245	136.6 Å²	136.6	93%	0.925	79%	0.794	S	S	*	*			trans	-117.4	135.6	155.8	-85.2	-176.5	177	-175.6	-2.1	108.2
33	E	33.8	Very low	34.8	Very low	191 Å²	191	135.4 Å²	135.4	89%	0.893	78%	0.775	S	S	*	*			trans	-43.5	130.9	172.1	-66	156.9	155.4	0	0	111.1	E35	E33-E35 PolarHBondContact O-N 2.68Å
34	G	29.6	Very low	35.5	Very low	76 Å²	76	133.5 Å²	133.5	78%	0.784	76%	0.761	S	S	*	*			trans	-75.9	105.8	169.3	0	0	0	0	0	109.2	E36	G34-E36 PolarHBondContact O-N 3.16Å
35	E	32.7	Very low	37.6	Very low	190 Å²	190	136.4 Å²	136.4	89%	0.888	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.9	160.6	-75.2	176.4	148.8	0	0	109	E33 K37	E33-E35 PolarHBondContact O-N 2.68Å; E35-K37 PolarHBondContact O-N 3.46Å
36	E	37.2	Very low	40.4	Very low	188 Å²	188	127.9 Å²	127.9	88%	0.879	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-58.7	127.6	166.3	-79.4	-177.1	146.8	0	0	109.5	G34	G34-E36 PolarHBondContact O-N 3.16Å
37	K	35.6	Very low	43.1	Very low	197 Å²	197	125.4 Å²	125.4	86%	0.857	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-64.5	139.5	168.9	-81.2	-179.5	176.2	176.7	0	109.3	E35	E35-K37 PolarHBondContact O-N 3.46Å
38	P	36.1	Very low	46.1	Very low	114 Å²	114	121.2 Å²	121.2	74%	0.74	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-61.7	144.4	175.7	25.3	-31.9	0	0	0	110.4
39	P	39.3	Very low	49.1	Very low	84 Å²	84	121.2 Å²	121.2	55%	0.545	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-57.8	144.8	178.3	21.9	-31.1	0	0	0	110.9	E43	P39-E43 WeakPolarHBondContact CA-OE2 3.46Å; P39-E43 HydrophobicContact CB-CB 4.21Å; P39-E43 WeakPolarHBondContact CB-OE2 3.45Å
40	S	39.8	Very low	52.4	Low	74 Å²	74	115.3 Å²	115.3	52%	0.517	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-60.2	151.5	178.2	73.3	0	0	0	0	110.7	A42 E43	S40-A42 PolarHBondContact O-N 3.38Å; S40-E43 PolarHBondContact O-N 3.19Å
41	S	44.7	Very low	55.8	Low	107 Å²	107	111.9 Å²	111.9	75%	0.748	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-11.3	-176.8	59.5	0	0	0	0	115.3	T44	S41-T44 PolarHBondContact O-OG1 2.86Å
42	A	50	Low	59.1	Low	71 Å²	71	108.4 Å²	108.4	59%	0.587	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-25.4	175.8	0	0	0	0	0	113.7	S40 T44	S40-A42 PolarHBondContact O-N 3.38Å; A42-T44 VanDerWaalsContact C-N 3.33Å
43	E	46.5	Very low	62.4	Low	95 Å²	95	96.7 Å²	96.7	44%	0.444	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.1	-178.6	-71.6	179.5	135.5	0	0	113.2	P39 S40	P39-E43 WeakPolarHBondContact CA-OE2 3.46Å; P39-E43 HydrophobicContact CB-CB 4.21Å; P39-E43 WeakPolarHBondContact CB-OE2 3.45Å; S40-E43 PolarHBondContact O-N 3.19Å
44	T	54.1	Low	65.5	Low	93 Å²	93	87.6 Å²	87.6	57%	0.571	48%	0.478	S	S	*	.	S	Bend	trans	-92.3	-17.1	-178.8	29.7	0	0	0	0	113.9	S41 A42 W46	S41-T44 PolarHBondContact O-OG1 2.86Å; A42-T44 VanDerWaalsContact C-N 3.33Å; T44-W46 PolarHBondContact O-N 3.45Å
45	Q	71.1	Confident	68.8	Low	141 Å²	141	84.4 Å²	84.4	66%	0.659	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-80.3	118.8	-169.4	-158.7	168.4	7.2	0	0	112.4
46	W	87.1	Confident	71.9	Confident	69 Å²	69	75.7 Å²	75.7	26%	0.261	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-61.1	133.1	168	178	-96.3	0	0	0	110.1	T44 T234 Q236 G237 S238 M239	T44-W46 PolarHBondContact O-N 3.45Å; W46-T234 HydrophobicContact CH2-CG2 4.05Å; W46-T234 WeakPolarHBondContact CH2-OG1 3.49Å; W46-Q236 HydrophobicContact CE3-CB 4.26Å; W46-Q236 HydrophobicContact CH2-CB 4.41Å; W46-Q236 HydrophobicContact CZ3-CB 3.92Å; W46-G237 WeakPolarHBondContact CH2-O 3.33Å; W46-G237 WeakPolarHBondContact CZ2-O 3Å; W46-S238 PolarHBondContact NE1-O 2.85Å; W46-S238 VanDerWaalsContact NE1-O 3.13Å; W46-M239 HydrophobicContact CD2-CE 4.47Å; W46-M239 HydrophobicContact CE3-CE 4.31Å; W46-M239 HydrophobicContact CH2-CE 3.25Å; W46-M239 HydrophobicContact CZ2-CB 4.27Å; W46-M239 HydrophobicContact CZ2-CE 3.39Å; W46-M239 HydrophobicContact CZ3-CE 3.74Å
47	K	87.5	Confident	74.8	Confident	67 Å²	67	66.7 Å²	66.7	29%	0.291	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-100.4	129.5	171.2	-66.8	-174.3	176.4	-178	0	109.1	R49 D75 L212 M239	K47-R49 VanDerWaalsContact C-N 3.29Å; K47-D75 IonicContact NZ-OD1 3.73Å; K47-D75 PolarHBondContact NZ-OD1 3.22Å; K47-L212 HydrophobicContact CD-CD2 4.45Å; K47-L212 HydrophobicContact CG-CD2 4.19Å; K47-M239 WeakPolarHBondContact O-CB 3.35Å
48	D	92.8	Very high	77.8	Confident	93 Å²	93	58 Å²	58	50%	0.497	33%	0.328	S	S	.	.	S	Bend	trans	-85.2	-5.7	173.9	70.1	-38.7	0	0	0	112.5	M239 R240	D48-M239 WeakPolarHBondContact O-CA 3.28Å; D48-R240 PolarHBondContact O-N 2.68Å
49	R	96.7	Very high	80.8	Confident	118 Å²	118	52.8 Å²	52.8	45%	0.445	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.8	175.9	-63	-64.9	179.8	-94.3	-7.5	111.1	K47 R240	K47-R49 VanDerWaalsContact C-N 3.29Å; R49-R240 CarbonylContact C-O 3.55Å; R49-R240 WeakPolarHBondContact CA-O 3.17Å
50	A	98.4	Very high	83.7	Confident	6 Å²	6	49.5 Å²	49.5	5%	0.05	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146	176.7	0	0	0	0	0	110.7	V53 D75 V77 M239 R240 A241 N242	A50-V53 HydrophobicContact CB-CG2 3.71Å; A50-D75 WeakPolarHBondContact CA-O 3.49Å; A50-V77 HydrophobicContact CB-CB 4.21Å; A50-V77 HydrophobicContact CB-CG2 3.74Å; A50-M239 HydrophobicContact CB-SD 4.47Å; A50-R240 PolarHBondContact N-O 2.79Å; A50-A241 VanDerWaalsContact O-CA 3.31Å; A50-A241 WeakPolarHBondContact O-CA 3.44Å; A50-N242 PolarHBondContact O-N 3.49Å; A50-N242 VanDerWaalsContact O-N 3.16Å
51	E	98.7	Very high	86.5	Confident	57 Å²	57	46 Å²	46	27%	0.266	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-45.1	170	-177.4	53.8	-142.4	0	0	109.5	M73 K74 D75 N242 R243	E51-M73 HydrophobicContact CB-CG 4.35Å; E51-M73 HydrophobicContact CG-CE 4.2Å; E51-M73 HydrophobicContact CG-CG 3.84Å; E51-M73 HydrophobicContact CG-SD 3.89Å; E51-K74 WeakPolarHBondContact CB-O 3.34Å; E51-D75 HydrophobicContact CB-CB 4.28Å; E51-D75 PolarHBondContact N-O 2.65Å; E51-N242 WeakPolarHBondContact O-CB 3.01Å; E51-N242 PolarHBondContact OE2-ND2 2.91Å; E51-R243 PolarHBondContact O-N 2.89Å; E51-R243 PolarHBondContact O-NH1 3.36Å; E51-R243 IonicContact OE1-CZ 3.47Å; E51-R243 VanDerWaalsContact OE1-CZ 3.32Å; E51-R243 IonicContact OE1-NH1 3.8Å; E51-R243 PolarHBondContact OE1-NH1 3.43Å; E51-R243 IonicContact OE1-NH2 4Å; E51-R243 PolarHBondContact OE1-NH2 3.49Å
52	T	98.9	Very high	89.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	126.6	178.3	-61.4	0	0	0	0	109.9	I54 L68 M73 V77 R243 V245	T52-I54 HydrophobicContact CG2-CG1 4.09Å; T52-L68 HydrophobicContact CG2-CD1 3.99Å; T52-M73 PolarHBondContact OG1-SD 3.33Å; T52-V77 PolarHBondContact O-N 2.88Å; T52-R243 WeakPolarHBondContact CA-O 3.35Å; T52-R243 HydrophobicContact CG2-CG 3.85Å; T52-R243 WeakPolarHBondContact OG1-CD 3.1Å; T52-R243 VanDerWaalsContact OG1-CG 3.29Å; T52-R243 WeakPolarHBondContact OG1-CG 3.45Å; T52-R243 PolarHBondContact OG1-NH1 3.43Å; T52-V245 HydrophobicContact CG2-CG2 3.86Å
53	V	98.9	Very high	91.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.8	167.7	172.1	0	0	0	0	109.9	A50 I55 V77 L79 V232 M239 A241 R243 I244 V245	A50-V53 HydrophobicContact CB-CG2 3.71Å; V53-I55 HydrophobicContact CG1-CG1 4.29Å; V53-V77 CarbonylContact C-O 3.56Å; V53-V77 VanDerWaalsContact CA-O 3.25Å; V53-V77 WeakPolarHBondContact CA-O 3.41Å; V53-V77 HydrophobicContact CG2-CB 4.39Å; V53-L79 HydrophobicContact CG1-CD1 3.7Å; V53-L79 HydrophobicContact CG1-CG 4.05Å; V53-V232 HydrophobicContact CG1-CG1 4.48Å; V53-V232 HydrophobicContact CG1-CG2 4.49Å; V53-M239 HydrophobicContact CG2-CG 4.23Å; V53-M239 HydrophobicContact CG2-SD 3.42Å; V53-M239 WeakPolarHBondContact CG2-SD 3.28Å; V53-A241 HydrophobicContact CB-CB 4.03Å; V53-A241 HydrophobicContact CG2-CB 3.53Å; V53-R243 PolarHBondContact N-O 2.95Å; V53-I244 HydrophobicContact CB-CG2 4.16Å; V53-I244 CarbonylContact O-C 3.34Å; V53-I244 VanDerWaalsContact O-CA 3.28Å; V53-I244 WeakPolarHBondContact O-CA 3.28Å; V53-V245 PolarHBondContact O-N 3.32Å
54	I	98.9	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.3	175.8	-56	166.3	0	0	0	108.1	T52 L64 A65 L68 V76 V77 L78 L79 V245 A247	T52-I54 HydrophobicContact CG2-CG1 4.09Å; I54-L64 HydrophobicContact CD1-CB 4.19Å; I54-L64 HydrophobicContact CD1-CD2 4.05Å; I54-L64 HydrophobicContact CD1-CG 3.93Å; I54-L64 HydrophobicContact CG1-CD2 4.18Å; I54-A65 HydrophobicContact CD1-CB 3.72Å; I54-L68 HydrophobicContact CD1-CD1 4.27Å; I54-V76 HydrophobicContact CD1-CG1 4Å; I54-V77 PolarHBondContact N-O 2.97Å; I54-L78 HydrophobicContact CB-CB 4.41Å; I54-L78 HydrophobicContact CB-CG 4.36Å; I54-L78 HydrophobicContact CG2-CD1 4.33Å; I54-L78 HydrophobicContact CG2-CG 4.49Å; I54-L78 WeakPolarHBondContact O-CA 3.48Å; I54-L79 PolarHBondContact O-N 3.03Å; I54-V245 HydrophobicContact CG1-CB 4.35Å; I54-V245 HydrophobicContact CG1-CG2 4.38Å; I54-A247 HydrophobicContact CG2-CB 4.29Å
55	I	98.9	Very high	96	Very high	9 Å²	9	28.7 Å²	28.7	5%	0.046	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	104.2	-175.9	-49.2	175.7	0	0	0	108.4	V53 V219 L222 V245 A247 A248 V255	V53-I55 HydrophobicContact CG1-CG1 4.29Å; I55-V219 HydrophobicContact CD1-CG1 4.4Å; I55-V219 HydrophobicContact CD1-CG2 4.15Å; I55-V219 HydrophobicContact CG1-CG2 4.04Å; I55-V219 HydrophobicContact CG2-CB 4.18Å; I55-V219 HydrophobicContact CG2-CG2 3.88Å; I55-L222 HydrophobicContact CD1-CD1 3.94Å; I55-L222 HydrophobicContact CD1-CD2 4.07Å; I55-V245 PolarHBondContact N-O 2.85Å; I55-A247 CarbonylContact O-C 3.5Å; I55-A247 WeakPolarHBondContact O-CA 3.43Å; I55-A247 PolarHBondContact O-N 2.85Å; I55-A248 HydrophobicContact CG2-CB 4.45Å; I55-A248 PolarHBondContact O-N 3.27Å; I55-A248 VanDerWaalsContact O-N 3.14Å; I55-V255 HydrophobicContact CD1-CG1 3.96Å; I55-V255 HydrophobicContact CG2-CG1 4.42Å; I55-V255 HydrophobicContact CG2-CG2 4.29Å
56	G	98.8	Very high	97.4	Very high	6 Å²	6	22 Å²	22	6%	0.062	11%	0.105	C	C	.	.			trans	121.2	125.5	179.8	0	0	0	0	0	113.6	G61 L79	G56-G61 WeakPolarHBondContact O-CA 3.43Å; G56-L79 PolarHBondContact N-O 3.1Å
57	G	98.8	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.			trans	-100.6	23.8	-179.5	0	0	0	0	0	114.4	E80 L84 T85	G57-E80 WeakPolarHBondContact CA-OE2 3.31Å; G57-E80 PolarHBondContact N-OE2 3.48Å; G57-L84 WeakPolarHBondContact O-CA 3.46Å; G57-T85 PolarHBondContact O-N 3.26Å
58	G	98.8	Very high	98.5	Very high	15 Å²	15	16.7 Å²	16.7	16%	0.155	8%	0.084	C	C	.	.	S	Bend	trans	-71	173.1	164.4	0	0	0	0	0	112	V60 G61 V62	G58-V60 PolarHBondContact O-N 3.46Å; G58-V60 VanDerWaalsContact O-N 3.12Å; G58-G61 PolarHBondContact O-N 2.96Å; G58-V62 WeakPolarHBondContact O-CG2 3.42Å; G58-V62 PolarHBondContact O-N 3.06Å; G58-V62 VanDerWaalsContact O-N 3.08Å
59	C	98.9	Very high	98.8	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.027	6%	0.062	C	C	.	.	H	α-helix	trans	-52.5	-37.5	-178	55.4	0	0	0	0	113.9	S63 T89 T199 A404	C59-S63 WeakPolarHBondContact O-CB 3.46Å; C59-S63 PolarHBondContact O-N 2.63Å; C59-T89 HydrophobicContact CB-CG2 3.73Å; C59-T89 PolarHBondContact N-OG1 3.22Å; C59-T89 PolarHBondContact SG-OG1 3.02Å; C59-T199 WeakPolarHBondContact CB-OG1 3.38Å; C59-A404 HydrophobicContact CB-CB 4.09Å
60	V	98.9	Very high	98.9	Very high	14 Å²	14	11.1 Å²	11.1	9%	0.085	6%	0.06	C	C	.	.	H	α-helix	trans	-67.5	-49.9	179.8	178	0	0	0	0	112	G58 V62 S63 L64 A394 F397 A404	G58-V60 PolarHBondContact O-N 3.46Å; G58-V60 VanDerWaalsContact O-N 3.12Å; V60-V62 VanDerWaalsContact C-N 3.34Å; V60-V62 PolarHBondContact O-N 2.82Å; V60-S63 WeakPolarHBondContact O-CB 3.09Å; V60-S63 PolarHBondContact O-N 2.73Å; V60-L64 PolarHBondContact O-N 2.82Å; V60-A394 HydrophobicContact CG1-CB 3.74Å; V60-F397 HydrophobicContact CB-CE2 4.23Å; V60-F397 HydrophobicContact CG1-CE2 3.65Å; V60-F397 HydrophobicContact CG1-CZ 3.79Å; V60-F397 HydrophobicContact CG2-CD1 4.43Å; V60-F397 HydrophobicContact CG2-CD2 3.92Å; V60-F397 HydrophobicContact CG2-CE1 4.35Å; V60-F397 HydrophobicContact CG2-CE2 3.78Å; V60-F397 HydrophobicContact CG2-CG 4.25Å; V60-F397 HydrophobicContact CG2-CZ 4.03Å; V60-A404 HydrophobicContact CG2-CB 4.19Å
61	G	98.9	Very high	98.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-41.2	-179.6	0	0	0	0	0	111.9	G56 G58 L64 A65	G56-G61 WeakPolarHBondContact O-CA 3.43Å; G58-G61 PolarHBondContact O-N 2.96Å; G61-L64 PolarHBondContact O-N 3.47Å; G61-A65 PolarHBondContact O-N 3.21Å
62	V	98.9	Very high	98.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.4	-39	175.6	-178.2	0	0	0	0	111.5	G58 V60 L64 A65 Y66 L78 L84 T199 L202 A203	G58-V62 WeakPolarHBondContact O-CG2 3.42Å; G58-V62 PolarHBondContact O-N 3.06Å; G58-V62 VanDerWaalsContact O-N 3.08Å; V60-V62 VanDerWaalsContact C-N 3.34Å; V60-V62 PolarHBondContact O-N 2.82Å; V62-L64 VanDerWaalsContact C-N 3.35Å; V62-L64 PolarHBondContact O-N 3.21Å; V62-A65 PolarHBondContact O-N 3.32Å; V62-Y66 WeakPolarHBondContact O-CB 3.46Å; V62-Y66 PolarHBondContact O-N 2.85Å; V62-L78 HydrophobicContact CG2-CD1 3.98Å; V62-L84 HydrophobicContact CG2-CD2 4.04Å; V62-T199 HydrophobicContact CB-CG2 4.16Å; V62-T199 HydrophobicContact CG1-CG2 4.43Å; V62-T199 HydrophobicContact CG2-CG2 3.88Å; V62-L202 HydrophobicContact CG1-CB 3.72Å; V62-A203 VanDerWaalsContact CG1-CA 3.49Å; V62-A203 HydrophobicContact CG1-CB 3.7Å; V62-A203 VanDerWaalsContact CG1-N 3.27Å
63	S	98.9	Very high	98.9	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-43.9	174.6	179.4	0	0	0	0	111.9	C59 V60 Y66 H67 A404	C59-S63 WeakPolarHBondContact O-CB 3.46Å; C59-S63 PolarHBondContact O-N 2.63Å; V60-S63 WeakPolarHBondContact O-CB 3.09Å; V60-S63 PolarHBondContact O-N 2.73Å; S63-Y66 WeakPolarHBondContact O-CB 3.22Å; S63-Y66 PolarHBondContact O-N 3.43Å; S63-H67 PolarHBondContact O-N 3.23Å; S63-H67 PolarHBondContact O-ND1 2.81Å; S63-H67 PolarHBondContact OG-ND1 2.86Å; S63-A404 VanDerWaalsContact CB-O 3.24Å; S63-A404 WeakPolarHBondContact CB-O 3.15Å; S63-A404 PolarHBondContact OG-O 2.7Å
64	L	98.9	Very high	98.8	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-43.5	176.3	-179.6	61.4	0	0	0	111.9	I54 V60 G61 V62 Y66 H67 L68 V245 L411 I415	I54-L64 HydrophobicContact CD1-CB 4.19Å; I54-L64 HydrophobicContact CD1-CD2 4.05Å; I54-L64 HydrophobicContact CD1-CG 3.93Å; I54-L64 HydrophobicContact CG1-CD2 4.18Å; V60-L64 PolarHBondContact O-N 2.82Å; G61-L64 PolarHBondContact O-N 3.47Å; V62-L64 VanDerWaalsContact C-N 3.35Å; V62-L64 PolarHBondContact O-N 3.21Å; L64-Y66 VanDerWaalsContact C-N 3.31Å; L64-Y66 PolarHBondContact O-N 2.78Å; L64-H67 PolarHBondContact O-N 3.46Å; L64-L68 HydrophobicContact CD1-CD1 3.9Å; L64-L68 HydrophobicContact CD1-CG 3.92Å; L64-L68 HydrophobicContact CD2-CD1 4.41Å; L64-L68 HydrophobicContact CG-CD1 3.81Å; L64-L68 HydrophobicContact CG-CG 4.27Å; L64-L68 WeakPolarHBondContact O-CB 3.2Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 3.26Å; L64-V245 HydrophobicContact CD2-CB 4.05Å; L64-V245 HydrophobicContact CD2-CG1 3.64Å; L64-V245 HydrophobicContact CD2-CG2 3.92Å; L64-L411 HydrophobicContact CD1-CB 4.03Å; L64-L411 HydrophobicContact CD1-CD2 4.39Å; L64-L411 HydrophobicContact CD1-CG 4.4Å; L64-L411 HydrophobicContact CD2-CD2 3.93Å; L64-I415 HydrophobicContact CD1-CD1 4.49Å
65	A	98.9	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-44.2	176.7	0	0	0	0	0	111.6	I54 G61 V62 A69 V76 L78 A206	I54-A65 HydrophobicContact CD1-CB 3.72Å; G61-A65 PolarHBondContact O-N 3.21Å; V62-A65 PolarHBondContact O-N 3.32Å; A65-A69 VanDerWaalsContact O-CB 3.27Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 3.44Å; A65-A69 VanDerWaalsContact O-N 3.08Å; A65-V76 HydrophobicContact CB-CG1 4.25Å; A65-L78 HydrophobicContact CB-CD1 4.15Å; A65-A206 HydrophobicContact CB-CB 4.29Å
66	Y	98.9	Very high	98.7	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-57.5	-50.9	174.6	164	-91.7	0	0	0	111.5	V62 S63 L64 K70 L115 L119 E122 L202 Y209	V62-Y66 WeakPolarHBondContact O-CB 3.46Å; V62-Y66 PolarHBondContact O-N 2.85Å; S63-Y66 WeakPolarHBondContact O-CB 3.22Å; S63-Y66 PolarHBondContact O-N 3.43Å; L64-Y66 VanDerWaalsContact C-N 3.31Å; L64-Y66 PolarHBondContact O-N 2.78Å; Y66-K70 HydrophobicContact CE1-CD 4Å; Y66-K70 HydrophobicContact CE2-CD 4.11Å; Y66-K70 WeakPolarHBondContact O-CB 3.48Å; Y66-K70 PolarHBondContact O-N 3.37Å; Y66-K70 WeakPolarHBondContact OH-CD 3.26Å; Y66-K70 PolarHBondContact OH-NZ 3.41Å; Y66-L115 HydrophobicContact CE1-CD1 3.8Å; Y66-L115 HydrophobicContact CE1-CD2 4.26Å; Y66-L115 WeakPolarHBondContact OH-CD1 3.32Å; Y66-L119 HydrophobicContact CE2-CD2 4.42Å; Y66-E122 VanDerWaalsContact OH-CD 3.27Å; Y66-E122 PolarHBondContact OH-OE1 3.45Å; Y66-E122 PolarHBondContact OH-OE2 3.28Å; Y66-L202 HydrophobicContact CD1-CD2 3.92Å; Y66-L202 HydrophobicContact CD2-CD2 4.35Å; Y66-L202 HydrophobicContact CE1-CD2 4.37Å; Y66-L202 HydrophobicContact CG-CD2 3.91Å; Y66-Y209 HydrophobicContact CD2-CD2 4.47Å; Y66-Y209 HydrophobicContact CD2-CE2 4.44Å; Y66-Y209 HydrophobicContact CE2-CD2 4.44Å; Y66-Y209 AromaticContact CE2-CE2 3.98Å; Y66-Y209 HydrophobicContact CE2-CE2 3.98Å
67	H	98.9	Very high	98.7	Very high	23 Å²	23	24 Å²	24	11%	0.106	14%	0.14	C	C	.	.	H	α-helix	trans	-68.1	-44.5	-176.5	-74.6	98.3	0	0	0	112.9	S63 L64 A69 K70 A71 L115 G405 K409	S63-H67 PolarHBondContact O-N 3.23Å; S63-H67 PolarHBondContact O-ND1 2.81Å; S63-H67 PolarHBondContact OG-ND1 2.86Å; L64-H67 PolarHBondContact O-N 3.46Å; H67-A69 PolarHBondContact O-N 3.47Å; H67-K70 PolarHBondContact O-N 2.8Å; H67-A71 VanDerWaalsContact O-CB 3.23Å; H67-A71 WeakPolarHBondContact O-CB 3.46Å; H67-A71 PolarHBondContact O-N 3.37Å; H67-L115 VanDerWaalsContact CE1-CD2 3.47Å; H67-L115 WeakPolarHBondContact CE1-CD2 3.49Å; H67-G405 PolarHBondContact CE1-O 2.96Å; H67-K409 PolarHBondContact ND1-N 3.46Å
68	L	98.9	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-48.3	178.1	-74.8	172.7	0	0	0	111.2	T52 I54 L64 A71 G72 M73 V76 S412 I415 L416	T52-L68 HydrophobicContact CG2-CD1 3.99Å; I54-L68 HydrophobicContact CD1-CD1 4.27Å; L64-L68 HydrophobicContact CD1-CD1 3.9Å; L64-L68 HydrophobicContact CD1-CG 3.92Å; L64-L68 HydrophobicContact CD2-CD1 4.41Å; L64-L68 HydrophobicContact CG-CD1 3.81Å; L64-L68 HydrophobicContact CG-CG 4.27Å; L64-L68 WeakPolarHBondContact O-CB 3.2Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 3.26Å; L68-A71 PolarHBondContact O-N 3.23Å; L68-G72 PolarHBondContact O-N 3.03Å; L68-M73 HydrophobicContact CB-CB 4.2Å; L68-M73 HydrophobicContact CB-SD 4.19Å; L68-M73 HydrophobicContact CD1-SD 4.11Å; L68-M73 HydrophobicContact CD2-CE 3.84Å; L68-M73 HydrophobicContact CD2-SD 3.89Å; L68-M73 HydrophobicContact CG-SD 4.31Å; L68-M73 VanDerWaalsContact O-CB 3.23Å; L68-M73 WeakPolarHBondContact O-CB 3.3Å; L68-M73 PolarHBondContact O-N 3.32Å; L68-V76 HydrophobicContact CB-CG2 3.98Å; L68-S412 PolarHBondContact N-OG 3.39Å; L68-I415 HydrophobicContact CD1-CD1 4.42Å; L68-I415 HydrophobicContact CD2-CB 4.22Å; L68-I415 HydrophobicContact CD2-CD1 4.4Å; L68-I415 HydrophobicContact CD2-CG2 4.01Å; L68-L416 HydrophobicContact CD2-CD1 4.4Å; L68-L416 HydrophobicContact CD2-CG 4.28Å
69	A	98.8	Very high	98.8	Very high	5 Å²	5	23.4 Å²	23.4	4%	0.041	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-42.8	179.7	0	0	0	0	0	111.8	A65 H67 A71 G72 A211	A65-A69 VanDerWaalsContact O-CB 3.27Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 3.44Å; A65-A69 VanDerWaalsContact O-N 3.08Å; H67-A69 PolarHBondContact O-N 3.47Å; A69-A71 VanDerWaalsContact C-N 3.26Å; A69-A71 PolarHBondContact O-N 2.96Å; A69-G72 WeakPolarHBondContact O-CA 3.47Å; A69-G72 PolarHBondContact O-N 3.21Å; A69-A211 HydrophobicContact CB-CB 4Å
70	K	98.8	Very high	98.8	Very high	90 Å²	90	23.9 Å²	23.9	39%	0.391	14%	0.135	S	C	.	.	H	α-helix	trans	-61.1	-35.1	175.8	-175.9	168.8	-179.1	164.5	0	112.4	Y66 H67 G72 E122 Y209	Y66-K70 HydrophobicContact CE1-CD 4Å; Y66-K70 HydrophobicContact CE2-CD 4.11Å; Y66-K70 WeakPolarHBondContact O-CB 3.48Å; Y66-K70 PolarHBondContact O-N 3.37Å; Y66-K70 WeakPolarHBondContact OH-CD 3.26Å; Y66-K70 PolarHBondContact OH-NZ 3.41Å; H67-K70 PolarHBondContact O-N 2.8Å; K70-G72 PolarHBondContact O-N 2.99Å; K70-E122 WeakPolarHBondContact CE-OE1 3.04Å; K70-E122 IonicContact NZ-OE1 3.42Å; K70-E122 PolarHBondContact NZ-OE1 2.67Å; K70-E122 IonicContact NZ-OE2 3.59Å; K70-E122 PolarHBondContact NZ-OE2 3.14Å; K70-Y209 HydrophobicContact CB-CD2 3.6Å; K70-Y209 HydrophobicContact CB-CE2 3.82Å; K70-Y209 HydrophobicContact CB-CG 4.08Å; K70-Y209 HydrophobicContact CD-CD2 4.39Å; K70-Y209 HydrophobicContact CD-CE2 3.73Å; K70-Y209 HydrophobicContact CG-CD2 4.04Å; K70-Y209 HydrophobicContact CG-CE1 4.41Å; K70-Y209 HydrophobicContact CG-CE2 3.73Å
71	A	98.7	Very high	98.7	Very high	61 Å²	61	26.5 Å²	26.5	50%	0.504	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	0.4	174.3	0	0	0	0	0	113.5	H67 L68 A69 L416	H67-A71 VanDerWaalsContact O-CB 3.23Å; H67-A71 WeakPolarHBondContact O-CB 3.46Å; H67-A71 PolarHBondContact O-N 3.37Å; L68-A71 PolarHBondContact O-N 3.23Å; A69-A71 VanDerWaalsContact C-N 3.26Å; A69-A71 PolarHBondContact O-N 2.96Å; A71-L416 HydrophobicContact CB-CD1 3.4Å; A71-L416 VanDerWaalsContact CB-CD1 3.4Å
72	G	98.6	Very high	98.7	Very high	45 Å²	45	28.7 Å²	28.7	46%	0.464	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	4.4	171.8	0	0	0	0	0	115.4	L68 A69 K70 K74	L68-G72 PolarHBondContact O-N 3.03Å; A69-G72 WeakPolarHBondContact O-CA 3.47Å; A69-G72 PolarHBondContact O-N 3.21Å; K70-G72 PolarHBondContact O-N 2.99Å; G72-K74 PolarHBondContact O-N 3.12Å
73	M	98.8	Very high	98.7	Very high	18 Å²	18	32.3 Å²	32.3	9%	0.089	18%	0.177	C	C	.	.			trans	-60.9	125.2	173.7	-176.2	172.4	-79.6	0	0	109.9	E51 T52 L68 V76 I415 L416	E51-M73 HydrophobicContact CB-CG 4.35Å; E51-M73 HydrophobicContact CG-CE 4.2Å; E51-M73 HydrophobicContact CG-CG 3.84Å; E51-M73 HydrophobicContact CG-SD 3.89Å; T52-M73 PolarHBondContact OG1-SD 3.33Å; L68-M73 HydrophobicContact CB-CB 4.2Å; L68-M73 HydrophobicContact CB-SD 4.19Å; L68-M73 HydrophobicContact CD1-SD 4.11Å; L68-M73 HydrophobicContact CD2-CE 3.84Å; L68-M73 HydrophobicContact CD2-SD 3.89Å; L68-M73 HydrophobicContact CG-SD 4.31Å; L68-M73 VanDerWaalsContact O-CB 3.23Å; L68-M73 WeakPolarHBondContact O-CB 3.3Å; L68-M73 PolarHBondContact O-N 3.32Å; M73-V76 HydrophobicContact CB-CG2 3.9Å; M73-V76 HydrophobicContact CG-CG2 3.66Å; M73-V76 HydrophobicContact SD-CG2 3.87Å; M73-I415 HydrophobicContact CE-CG2 3.66Å; M73-L416 HydrophobicContact CB-CD2 4.38Å; M73-L416 HydrophobicContact CE-CD2 3.66Å; M73-L416 HydrophobicContact CE-CG 4.35Å
74	K	97.7	Very high	98.7	Very high	151 Å²	151	32.6 Å²	32.6	66%	0.657	18%	0.179	S	C	*	.	S	Bend	trans	-82.6	159.5	174.2	-60.4	-56.5	-177.1	-174.8	0	110.5	E51 G72 V76	E51-K74 WeakPolarHBondContact CB-O 3.34Å; G72-K74 PolarHBondContact O-N 3.12Å; K74-V76 PolarHBondContact O-N 3.3Å; K74-V76 VanDerWaalsContact O-N 3.14Å
75	D	97.9	Very high	98.7	Very high	70 Å²	70	32.4 Å²	32.4	37%	0.374	18%	0.178	S	C	.	.	S	Bend	trans	54.5	38.6	170	-52.2	-54.6	0	0	0	114.5	K47 A50 E51	K47-D75 IonicContact NZ-OD1 3.73Å; K47-D75 PolarHBondContact NZ-OD1 3.22Å; A50-D75 WeakPolarHBondContact CA-O 3.49Å; E51-D75 HydrophobicContact CB-CB 4.28Å; E51-D75 PolarHBondContact N-O 2.65Å
76	V	98.8	Very high	98.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.8	167.4	-178	0	0	0	0	108.4	I54 A65 L68 M73 K74 A211 L212	I54-V76 HydrophobicContact CD1-CG1 4Å; A65-V76 HydrophobicContact CB-CG1 4.25Å; L68-V76 HydrophobicContact CB-CG2 3.98Å; M73-V76 HydrophobicContact CB-CG2 3.9Å; M73-V76 HydrophobicContact CG-CG2 3.66Å; M73-V76 HydrophobicContact SD-CG2 3.87Å; K74-V76 PolarHBondContact O-N 3.3Å; K74-V76 VanDerWaalsContact O-N 3.14Å; V76-A211 HydrophobicContact CB-CB 4.16Å; V76-A211 HydrophobicContact CG1-CB 4.21Å; V76-A211 WeakPolarHBondContact O-CA 3.42Å; V76-L212 PolarHBondContact O-N 2.85Å
77	V	98.9	Very high	98.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.7	178	-177.6	0	0	0	0	109.4	A50 T52 V53 I54 L79 L212 M239	A50-V77 HydrophobicContact CB-CB 4.21Å; A50-V77 HydrophobicContact CB-CG2 3.74Å; T52-V77 PolarHBondContact O-N 2.88Å; V53-V77 CarbonylContact C-O 3.56Å; V53-V77 VanDerWaalsContact CA-O 3.25Å; V53-V77 WeakPolarHBondContact CA-O 3.41Å; V53-V77 HydrophobicContact CG2-CB 4.39Å; I54-V77 PolarHBondContact N-O 2.97Å; V77-L79 HydrophobicContact CG1-CD2 3.91Å; V77-L79 HydrophobicContact CG1-CG 4.32Å; V77-L212 CarbonylContact C-O 3.53Å; V77-L212 VanDerWaalsContact CA-O 3.31Å; V77-L212 WeakPolarHBondContact CA-O 3.39Å; V77-L212 HydrophobicContact CG2-CB 4.36Å; V77-L212 HydrophobicContact CG2-CD2 4.46Å; V77-M239 HydrophobicContact CB-SD 4.38Å; V77-M239 HydrophobicContact CG1-CE 4.01Å; V77-M239 HydrophobicContact CG1-SD 4.03Å
78	L	98.9	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.4	171.5	-177	154.2	0	0	0	109.2	I54 V62 A65 E80 L84 L212 L213 K214	I54-L78 HydrophobicContact CB-CB 4.41Å; I54-L78 HydrophobicContact CB-CG 4.36Å; I54-L78 HydrophobicContact CG2-CD1 4.33Å; I54-L78 HydrophobicContact CG2-CG 4.49Å; I54-L78 WeakPolarHBondContact O-CA 3.48Å; V62-L78 HydrophobicContact CG2-CD1 3.98Å; A65-L78 HydrophobicContact CB-CD1 4.15Å; L78-E80 HydrophobicContact CD2-CB 4.02Å; L78-L84 HydrophobicContact CD2-CD2 4.25Å; L78-L212 PolarHBondContact N-O 3.49Å; L78-L213 HydrophobicContact CB-CD1 4.42Å; L78-L213 HydrophobicContact CB-CG 4.05Å; L78-L213 HydrophobicContact CD2-CG 4.43Å; L78-K214 PolarHBondContact O-N 3.34Å
79	L	98.9	Very high	98.5	Very high	3 Å²	3	34 Å²	34	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.4	178.6	-60.5	-179.1	0	0	0	109.3	V53 I54 G56 V77 K214 A217 V219 V232 T234 M239	V53-L79 HydrophobicContact CG1-CD1 3.7Å; V53-L79 HydrophobicContact CG1-CG 4.05Å; I54-L79 PolarHBondContact O-N 3.03Å; G56-L79 PolarHBondContact N-O 3.1Å; V77-L79 HydrophobicContact CG1-CD2 3.91Å; V77-L79 HydrophobicContact CG1-CG 4.32Å; L79-K214 HydrophobicContact CD2-CB 4.01Å; L79-A217 HydrophobicContact CD2-CB 4.1Å; L79-V219 HydrophobicContact CB-CG2 4.23Å; L79-V219 HydrophobicContact CD1-CG2 3.75Å; L79-V232 HydrophobicContact CD1-CG1 3.88Å; L79-T234 HydrophobicContact CD1-CG2 3.81Å; L79-M239 HydrophobicContact CD1-CE 4.06Å; L79-M239 HydrophobicContact CD1-SD 4.17Å; L79-M239 HydrophobicContact CD2-CE 3.83Å; L79-M239 HydrophobicContact CG-CE 4.41Å
80	E	98.8	Very high	98.5	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.065	21%	0.205	C	C	.	.			trans	-122.2	135.7	179.8	163.3	51.5	-128.1	0	0	110.5	G57 L78 S82 E83 L84 K214 A217	G57-E80 WeakPolarHBondContact CA-OE2 3.31Å; G57-E80 PolarHBondContact N-OE2 3.48Å; L78-E80 HydrophobicContact CD2-CB 4.02Å; E80-S82 PolarHBondContact O-N 2.96Å; E80-S82 PolarHBondContact OE1-N 2.86Å; E80-E83 VanDerWaalsContact CG-C 3.41Å; E80-E83 VanDerWaalsContact CG-O 3.26Å; E80-E83 WeakPolarHBondContact CG-O 3.41Å; E80-L84 HydrophobicContact CB-CD2 4.48Å; E80-L84 HydrophobicContact CG-CD2 4.49Å; E80-K214 PolarHBondContact N-O 3.11Å; E80-A217 CarbonylContact O-C 3.58Å; E80-A217 PolarHBondContact O-N 3.47Å
81	K	98.6	Very high	98.4	Very high	70 Å²	70	33.8 Å²	33.8	30%	0.304	19%	0.189	S	C	.	.	S	Bend	trans	-56.7	-46.7	-175	171.1	170.8	-175.5	-81.9	0	112.4	P216 P218 P331	K81-P216 WeakPolarHBondContact O-CB 3.31Å; K81-P218 HydrophobicContact CB-CB 4.12Å; K81-P218 HydrophobicContact CG-CB 4.07Å; K81-P331 PolarHBondContact NZ-O 2.79Å
82	S	98.3	Very high	98.4	Very high	46 Å²	46	32.1 Å²	32.1	32%	0.322	18%	0.176	S	C	.	.	S	Bend	trans	-127.9	-71.3	-177.5	51.5	0	0	0	0	112.1	E80 A86 Y215	E80-S82 PolarHBondContact O-N 2.96Å; E80-S82 PolarHBondContact OE1-N 2.86Å; S82-A86 WeakPolarHBondContact OG-CB 3.49Å; S82-Y215 WeakPolarHBondContact O-CB 3.44Å
83	E	98.4	Very high	98.3	Very high	75 Å²	75	30.5 Å²	30.5	35%	0.35	16%	0.158	S	C	.	.	S	Bend	trans	-150.7	159.6	-178.9	62.4	176.5	147.5	0	0	110.1	E80 A86 K335	E80-E83 VanDerWaalsContact CG-C 3.41Å; E80-E83 VanDerWaalsContact CG-O 3.26Å; E80-E83 WeakPolarHBondContact CG-O 3.41Å; E83-A86 HydrophobicContact CG-CB 3.91Å; E83-A86 VanDerWaalsContact O-CB 3.26Å; E83-A86 WeakPolarHBondContact O-CB 3.22Å; E83-A86 PolarHBondContact O-N 3.36Å; E83-K335 VanDerWaalsContact CD-CE 3.45Å; E83-K335 WeakPolarHBondContact OE1-CD 3.46Å; E83-K335 WeakPolarHBondContact OE1-CE 3.31Å; E83-K335 IonicContact OE1-NZ 3.33Å; E83-K335 PolarHBondContact OE1-NZ 3.07Å; E83-K335 IonicContact OE2-NZ 2.99Å; E83-K335 PolarHBondContact OE2-NZ 2.77Å
84	L	98.8	Very high	98.2	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	149.2	177.7	-57	-177.7	0	0	0	110.4	G57 V62 L78 E80 A86 M200 A203 L213 Y215	G57-L84 WeakPolarHBondContact O-CA 3.46Å; V62-L84 HydrophobicContact CG2-CD2 4.04Å; L78-L84 HydrophobicContact CD2-CD2 4.25Å; E80-L84 HydrophobicContact CB-CD2 4.48Å; E80-L84 HydrophobicContact CG-CD2 4.49Å; L84-A86 PolarHBondContact O-N 2.92Å; L84-A86 VanDerWaalsContact O-N 3.16Å; L84-M200 HydrophobicContact CB-CE 3.48Å; L84-M200 VanDerWaalsContact CB-CE 3.48Å; L84-M200 HydrophobicContact CD1-CE 3.79Å; L84-M200 HydrophobicContact CD1-SD 4.29Å; L84-M200 HydrophobicContact CG-CE 4.28Å; L84-A203 HydrophobicContact CD1-CB 3.71Å; L84-L213 HydrophobicContact CD1-CD2 4.27Å; L84-Y215 HydrophobicContact CD1-CE1 4.22Å; L84-Y215 HydrophobicContact CD2-CD1 4.16Å; L84-Y215 HydrophobicContact CD2-CE1 4.21Å; L84-Y215 HydrophobicContact CG-CD1 4.29Å; L84-Y215 HydrophobicContact CG-CE1 3.97Å
85	T	98.6	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-8.9	-178.3	76	0	0	0	0	117	G57 G87 T89 W90 Y196 T199 M200	G57-T85 PolarHBondContact O-N 3.26Å; T85-G87 PolarHBondContact O-N 2.89Å; T85-T89 HydrophobicContact CG2-CG2 4.09Å; T85-W90 PolarHBondContact O-N 3.46Å; T85-Y196 HydrophobicContact CG2-CD2 4Å; T85-T199 HydrophobicContact CG2-CG2 3.62Å; T85-M200 HydrophobicContact CG2-CE 3.75Å
86	A	98.3	Very high	98.3	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.025	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.3	-168.9	0	0	0	0	0	116.4	S82 E83 L84 K335	S82-A86 WeakPolarHBondContact OG-CB 3.49Å; E83-A86 HydrophobicContact CG-CB 3.91Å; E83-A86 VanDerWaalsContact O-CB 3.26Å; E83-A86 WeakPolarHBondContact O-CB 3.22Å; E83-A86 PolarHBondContact O-N 3.36Å; L84-A86 PolarHBondContact O-N 2.92Å; L84-A86 VanDerWaalsContact O-N 3.16Å; A86-K335 HydrophobicContact CB-CG 4.35Å; A86-K335 PolarHBondContact O-N 2.99Å
87	G	98.1	Very high	98.3	Very high	13 Å²	13	22.1 Å²	22.1	13%	0.134	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-137.5	170.1	0	0	0	0	0	112.9	T85 T89 W90	T85-G87 PolarHBondContact O-N 2.89Å; G87-T89 PolarHBondContact O-N 3.48Å; G87-W90 PolarHBondContact O-NE1 3.28Å
88	S	98.3	Very high	98.3	Very high	28 Å²	28	22.7 Å²	22.7	20%	0.196	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.8	-178	-49.7	0	0	0	0	115	H91 F250 P371	S88-H91 WeakPolarHBondContact CA-CE1 3.35Å; S88-F250 WeakPolarHBondContact OG-CD1 3.19Å; S88-P371 VanDerWaalsContact CB-O 3.28Å; S88-P371 WeakPolarHBondContact CB-O 3.48Å; S88-P371 PolarHBondContact OG-O 3.26Å
89	T	98.6	Very high	98.3	Very high	13 Å²	13	23.2 Å²	23.2	8%	0.08	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-47.3	-170.2	-60.8	0	0	0	0	112.5	C59 T85 G87 H91 A92 P195 T199 I401	C59-T89 HydrophobicContact CB-CG2 3.73Å; C59-T89 PolarHBondContact N-OG1 3.22Å; C59-T89 PolarHBondContact SG-OG1 3.02Å; T85-T89 HydrophobicContact CG2-CG2 4.09Å; G87-T89 PolarHBondContact O-N 3.48Å; T89-H91 PolarHBondContact O-N 3.21Å; T89-A92 PolarHBondContact O-N 2.99Å; T89-P195 HydrophobicContact CG2-CB 4.07Å; T89-P195 WeakPolarHBondContact O-CB 3.29Å; T89-T199 WeakPolarHBondContact CG2-OG1 3.29Å; T89-I401 HydrophobicContact CG2-CD1 4.12Å
90	W	98.2	Very high	98.3	Very high	79 Å²	79	23.9 Å²	23.9	30%	0.299	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.8	-171.1	75.7	-88.7	0	0	0	114.2	T85 G87 K335 L337	T85-W90 PolarHBondContact O-N 3.46Å; G87-W90 PolarHBondContact O-NE1 3.28Å; W90-K335 HydrophobicContact CG-CG 4.29Å; W90-L337 HydrophobicContact CH2-CD1 3.8Å; W90-L337 HydrophobicContact CH2-CD2 3.95Å; W90-L337 HydrophobicContact CH2-CG 3.64Å; W90-L337 HydrophobicContact CZ2-CD1 4.37Å; W90-L337 HydrophobicContact CZ2-CD2 3.72Å; W90-L337 HydrophobicContact CZ2-CG 3.7Å
91	H	97.5	Very high	98.3	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.056	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	5.6	-176.8	68.6	-107.9	0	0	0	113.3	S88 T89 Y272 L337 V368 G370	S88-H91 WeakPolarHBondContact CA-CE1 3.35Å; T89-H91 PolarHBondContact O-N 3.21Å; H91-Y272 VanDerWaalsContact O-CE1 3.24Å; H91-Y272 WeakPolarHBondContact O-CE1 3.31Å; H91-Y272 PolarHBondContact O-OH 3.4Å; H91-L337 HydrophobicContact CB-CD2 3.77Å; H91-V368 HydrophobicContact CB-CG1 4.02Å; H91-G370 WeakPolarHBondContact NE2-CA 3.32Å
92	A	96.7	Very high	98.3	Very high	27 Å²	27	23.8 Å²	23.8	22%	0.223	14%	0.141	C	C	.	.			trans	-67	145.5	-178.5	0	0	0	0	0	111.1	T89 G94 P195 I401	T89-A92 PolarHBondContact O-N 2.99Å; A92-G94 PolarHBondContact O-N 2.97Å; A92-G94 VanDerWaalsContact O-N 3.1Å; A92-P195 HydrophobicContact CB-CB 4.42Å; A92-P195 HydrophobicContact CB-CG 3.85Å; A92-P195 WeakPolarHBondContact O-CG 3.35Å; A92-I401 HydrophobicContact CB-CD1 3.87Å; A92-I401 HydrophobicContact CB-CG1 3.55Å
93	A	97	Very high	98.3	Very high	11 Å²	11	22.8 Å²	22.8	9%	0.091	13%	0.132	C	C	.	.			trans	-66.5	-10.6	176.8	0	0	0	0	0	114	L95 Y272 Y299 R301 L308	A93-L95 HydrophobicContact CB-CD1 3.75Å; A93-L95 PolarHBondContact O-N 3.47Å; A93-Y272 HydrophobicContact CB-CD1 4.01Å; A93-Y272 HydrophobicContact CB-CE1 4.13Å; A93-Y272 HydrophobicContact CB-CG 4.4Å; A93-Y299 HydrophobicContact CB-CE2 3.87Å; A93-R301 PolarHBondContact O-NE 3.41Å; A93-R301 PolarHBondContact O-NH2 2.86Å; A93-R301 VanDerWaalsContact O-NH2 3.07Å; A93-L308 HydrophobicContact CB-CD2 3.98Å
94	G	98	Very high	98.3	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	12%	0.121	C	C	.	.			trans	83.3	3.8	170.9	0	0	0	0	0	116.1	A92 T96 H192 I193	A92-G94 PolarHBondContact O-N 2.97Å; A92-G94 VanDerWaalsContact O-N 3.1Å; G94-T96 PolarHBondContact O-N 3.18Å; G94-H192 CarbonylContact O-C 3.55Å; G94-H192 WeakPolarHBondContact O-CA 3.44Å; G94-H192 WeakPolarHBondContact O-CB 3.11Å; G94-I193 WeakPolarHBondContact CA-O 3.44Å; G94-I193 PolarHBondContact O-N 2.92Å
95	L	98.8	Very high	98.3	Very high	39 Å²	39	20 Å²	20	20%	0.204	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	128.8	-177	-79.8	72.4	0	0	0	111.8	A93 V290 Y299 R301	A93-L95 HydrophobicContact CB-CD1 3.75Å; A93-L95 PolarHBondContact O-N 3.47Å; L95-V290 HydrophobicContact CD2-CG1 3.59Å; L95-V290 HydrophobicContact CG-CG1 4Å; L95-Y299 HydrophobicContact CD1-CD2 3.76Å; L95-Y299 HydrophobicContact CD1-CE2 3.73Å; L95-Y299 HydrophobicContact CD2-CD2 3.41Å; L95-Y299 VanDerWaalsContact CD2-CD2 3.41Å; L95-Y299 HydrophobicContact CD2-CE2 4.15Å; L95-Y299 HydrophobicContact CD2-CG 3.63Å; L95-Y299 HydrophobicContact CG-CD2 4.26Å; L95-R301 HydrophobicContact CD1-CG 4.34Å
96	T	98.8	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	96.9	-178.2	49.3	0	0	0	0	109.9	G94 Y116 F129 D190 G191 I193 I401 I402	G94-T96 PolarHBondContact O-N 3.18Å; T96-Y116 HydrophobicContact CG2-CD2 4.37Å; T96-Y116 HydrophobicContact CG2-CE2 4.04Å; T96-F129 WeakPolarHBondContact OG1-CE2 3.29Å; T96-D190 WeakPolarHBondContact O-CB 3.24Å; T96-G191 CarbonylContact C-O 3.58Å; T96-G191 PolarHBondContact N-O 2.77Å; T96-G191 CarbonylContact O-C 3.05Å; T96-G191 PolarHBondContact O-N 2.99Å; T96-G191 VanDerWaalsContact O-O 3.09Å; T96-G191 PolarHBondContact OG1-O 3.43Å; T96-I193 HydrophobicContact CG2-CB 4.47Å; T96-I193 HydrophobicContact CG2-CG2 3.66Å; T96-I401 HydrophobicContact CG2-CG2 3.83Å; T96-I402 HydrophobicContact CG2-CB 4.19Å; T96-I402 HydrophobicContact CG2-CD1 4.22Å
97	T	98.9	Very high	98.4	Very high	22 Å²	22	23.7 Å²	23.7	14%	0.135	14%	0.135	C	C	.	.			trans	-111.5	147.3	-179.8	-180	0	0	0	0	112.1	F99 H109 D190 I402	T97-F99 HydrophobicContact CG2-CB 4.09Å; T97-F99 PolarHBondContact O-N 3.42Å; T97-F99 WeakPolarHBondContact OG1-CB 3.19Å; T97-F99 PolarHBondContact OG1-N 3.25Å; T97-F99 VanDerWaalsContact OG1-N 3.09Å; T97-H109 PolarHBondContact O-ND1 2.96Å; T97-D190 WeakPolarHBondContact CA-OD2 3.14Å; T97-D190 WeakPolarHBondContact CB-OD2 3.42Å; T97-D190 PolarHBondContact OG1-OD2 3.05Å; T97-I402 WeakPolarHBondContact O-CD1 3.36Å
98	Y	98.9	Very high	98.4	Very high	12 Å²	12	23 Å²	23	5%	0.047	13%	0.128	C	C	.	.	S	Bend	trans	-66.4	-22.5	167.9	-76.9	-70	0	0	0	112.5	H100 Y110 I113 K114 D190	Y98-H100 PolarHBondContact O-N 3.37Å; Y98-Y110 AromaticContact CD1-CD2 3.94Å; Y98-Y110 HydrophobicContact CD1-CD2 3.94Å; Y98-Y110 HydrophobicContact CD1-CG 4.46Å; Y98-Y110 AromaticContact CE1-CD2 3.6Å; Y98-Y110 HydrophobicContact CE1-CD2 3.6Å; Y98-Y110 HydrophobicContact CE1-CE2 4.19Å; Y98-Y110 HydrophobicContact CE1-CG 4.13Å; Y98-I113 HydrophobicContact CD1-CB 4.46Å; Y98-I113 HydrophobicContact CD1-CD1 3.58Å; Y98-I113 HydrophobicContact CD2-CD1 3.77Å; Y98-I113 HydrophobicContact CE1-CB 3.8Å; Y98-I113 HydrophobicContact CE1-CD1 3.77Å; Y98-I113 HydrophobicContact CE1-CG1 4.37Å; Y98-I113 HydrophobicContact CE1-CG2 3.95Å; Y98-I113 HydrophobicContact CE2-CB 4.46Å; Y98-I113 HydrophobicContact CE2-CD1 3.91Å; Y98-I113 HydrophobicContact CE2-CG2 3.86Å; Y98-I113 HydrophobicContact CG-CD1 3.57Å; Y98-I113 WeakPolarHBondContact OH-CG2 3.38Å; Y98-K114 WeakPolarHBondContact OH-CE 3.38Å; Y98-K114 PolarHBondContact OH-NZ 2.75Å; Y98-D190 HydrophobicContact CD2-CB 3.6Å; Y98-D190 HydrophobicContact CE2-CB 3.98Å; Y98-D190 HydrophobicContact CG-CB 4.41Å; Y98-D190 PolarHBondContact N-OD2 3.46Å
99	F	98.9	Very high	98.4	Very high	11 Å²	11	22 Å²	22	5%	0.048	12%	0.121	C	C	.	.			trans	-64.6	131.5	-179.5	174.9	-94	0	0	0	111.7	T97 P101 H109 Q150 L185 N187	T97-F99 HydrophobicContact CG2-CB 4.09Å; T97-F99 PolarHBondContact O-N 3.42Å; T97-F99 WeakPolarHBondContact OG1-CB 3.19Å; T97-F99 PolarHBondContact OG1-N 3.25Å; T97-F99 VanDerWaalsContact OG1-N 3.09Å; F99-P101 HydrophobicContact CE1-CB 4.49Å; F99-P101 HydrophobicContact CZ-CB 4.2Å; F99-H109 PolarHBondContact O-CE1 3.33Å; F99-H109 PolarHBondContact O-ND1 2.98Å; F99-H109 VanDerWaalsContact O-ND1 3.12Å; F99-Q150 HydrophobicContact CE2-CG 4.38Å; F99-L185 HydrophobicContact CD2-CD2 3.81Å; F99-L185 HydrophobicContact CE2-CD2 3.62Å; F99-N187 WeakPolarHBondContact CB-OD1 3.37Å
100	H	98.9	Very high	98.4	Very high	18 Å²	18	24.8 Å²	24.8	8%	0.083	13%	0.13	C	C	.	.			trans	-144.8	138.9	162.1	-170.9	-85.1	0	0	0	109.1	Y98 G102 L105 K106 H109	Y98-H100 PolarHBondContact O-N 3.37Å; H100-G102 PolarHBondContact CE1-N 3.31Å; H100-G102 WeakPolarHBondContact ND1-CA 3.21Å; H100-G102 PolarHBondContact ND1-N 2.89Å; H100-L105 HydrophobicContact CB-CB 4.48Å; H100-L105 VanDerWaalsContact CE1-CB 3.43Å; H100-L105 WeakPolarHBondContact CE1-CB 3.08Å; H100-L105 WeakPolarHBondContact CE1-CD1 3.21Å; H100-L105 VanDerWaalsContact ND1-CB 3.33Å; H100-L105 WeakPolarHBondContact ND1-CB 3.32Å; H100-L105 WeakPolarHBondContact NE2-CD1 3.15Å; H100-K106 HydrophobicContact CB-CG 4.2Å; H100-K106 PolarHBondContact O-NZ 3.03Å; H100-H109 AromaticContact CD2-CE1 3.81Å; H100-H109 AromaticContact CD2-NE2 3.39Å; H100-H109 PolarHBondContact CD2-NE2 2.98Å; H100-H109 AromaticContact CG-NE2 3.99Å
101	P	98.4	Very high	98.5	Very high	60 Å²	60	22.2 Å²	22.2	39%	0.39	12%	0.122	S	C	.	.	S	Bend	trans	-73.9	-26.9	-177.4	28.8	-35.6	0	0	0	113.9	F99 Q150 R153	F99-P101 HydrophobicContact CE1-CB 4.49Å; F99-P101 HydrophobicContact CZ-CB 4.2Å; P101-Q150 PolarHBondContact O-NE2 3.48Å; P101-Q150 PolarHBondContact O-OE1 3.04Å; P101-R153 PolarHBondContact O-NH2 3.27Å
102	G	97.6	Very high	98.5	Very high	21 Å²	21	21.7 Å²	21.7	22%	0.216	12%	0.12	C	C	.	.	S	Bend	trans	-73.1	-166.3	171.9	0	0	0	0	0	113.4	H100 K106	H100-G102 PolarHBondContact CE1-N 3.31Å; H100-G102 WeakPolarHBondContact ND1-CA 3.21Å; H100-G102 PolarHBondContact ND1-N 2.89Å; G102-K106 WeakPolarHBondContact O-CE 3.25Å
103	I	98.8	Very high	98.7	Very high	26 Å²	26	20.4 Å²	20.4	13%	0.133	11%	0.109	C	C	.	.	S	Bend	trans	-104.4	-81.4	-173.5	-58.3	-58.5	0	0	0	111.3	L105 K106 R153 W156 N787	I103-L105 VanDerWaalsContact C-N 3.25Å; I103-L105 PolarHBondContact O-N 2.75Å; I103-K106 VanDerWaalsContact O-CB 3.22Å; I103-K106 WeakPolarHBondContact O-CB 3.26Å; I103-K106 VanDerWaalsContact O-CG 3.24Å; I103-K106 WeakPolarHBondContact O-CG 3.43Å; I103-K106 PolarHBondContact O-N 3.49Å; I103-R153 HydrophobicContact CD1-CB 4.29Å; I103-R153 VanDerWaalsContact CD1-CZ 3.47Å; I103-W156 HydrophobicContact CD1-CZ2 4.43Å; I103-W156 HydrophobicContact CG2-CH2 3.44Å; I103-W156 VanDerWaalsContact CG2-CH2 3.44Å; I103-W156 HydrophobicContact CG2-CZ2 3.67Å; I103-N787 HydrophobicContact CD1-CB 3.56Å; I103-N787 HydrophobicContact CG1-CB 4.2Å
104	N	98.7	Very high	98.7	Very high	21 Å²	21	22.8 Å²	22.8	11%	0.112	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.4	-172.1	-79.2	-9.9	0	0	0	113.4	K106 K107 F422 D423 L424 D734	N104-K106 PolarHBondContact O-N 3.36Å; N104-K107 VanDerWaalsContact O-CB 3.23Å; N104-K107 WeakPolarHBondContact O-CB 3.45Å; N104-K107 PolarHBondContact O-N 3.21Å; N104-F422 HydrophobicContact CB-CD2 4.31Å; N104-F422 HydrophobicContact CB-CE2 4.42Å; N104-D423 WeakPolarHBondContact CB-O 3.29Å; N104-D423 PolarHBondContact ND2-O 2.92Å; N104-L424 HydrophobicContact CB-CD2 3.64Å; N104-D734 PolarHBondContact ND2-OD2 3.47Å
105	L	98.8	Very high	98.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-23.2	167.3	-85.2	164.6	0	0	0	114	H100 I103 K107 I108 H109 L379 E426 L427	H100-L105 HydrophobicContact CB-CB 4.48Å; H100-L105 VanDerWaalsContact CE1-CB 3.43Å; H100-L105 WeakPolarHBondContact CE1-CB 3.08Å; H100-L105 WeakPolarHBondContact CE1-CD1 3.21Å; H100-L105 VanDerWaalsContact ND1-CB 3.33Å; H100-L105 WeakPolarHBondContact ND1-CB 3.32Å; H100-L105 WeakPolarHBondContact NE2-CD1 3.15Å; I103-L105 VanDerWaalsContact C-N 3.25Å; I103-L105 PolarHBondContact O-N 2.75Å; L105-K107 PolarHBondContact O-N 3.45Å; L105-I108 HydrophobicContact CD2-CB 4.18Å; L105-I108 HydrophobicContact CD2-CG1 4.17Å; L105-I108 HydrophobicContact CD2-CG2 4.44Å; L105-I108 WeakPolarHBondContact O-CB 3.22Å; L105-I108 PolarHBondContact O-N 3.37Å; L105-I108 VanDerWaalsContact O-N 3.09Å; L105-H109 PolarHBondContact O-CD2 2.91Å; L105-H109 PolarHBondContact O-N 3.36Å; L105-H109 VanDerWaalsContact O-N 3.08Å; L105-L379 HydrophobicContact CD1-CD1 4.24Å; L105-L379 HydrophobicContact CD1-CD2 3.62Å; L105-E426 HydrophobicContact CD1-CG 4.32Å; L105-L427 HydrophobicContact CD1-CD2 4Å; L105-L427 HydrophobicContact CD2-CD1 3.85Å; L105-L427 HydrophobicContact CD2-CD2 4.19Å; L105-L427 HydrophobicContact CD2-CG 4.36Å; L105-L427 HydrophobicContact CG-CD2 4.41Å
106	K	98.9	Very high	98.8	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-57.3	-36.7	169.3	-63.9	177	-167	-66	0	110.9	H100 G102 I103 N104 H109 Y110 R153 T154	H100-K106 HydrophobicContact CB-CG 4.2Å; H100-K106 PolarHBondContact O-NZ 3.03Å; G102-K106 WeakPolarHBondContact O-CE 3.25Å; I103-K106 VanDerWaalsContact O-CB 3.22Å; I103-K106 WeakPolarHBondContact O-CB 3.26Å; I103-K106 VanDerWaalsContact O-CG 3.24Å; I103-K106 WeakPolarHBondContact O-CG 3.43Å; I103-K106 PolarHBondContact O-N 3.49Å; N104-K106 PolarHBondContact O-N 3.36Å; K106-H109 PolarHBondContact O-N 2.95Å; K106-Y110 VanDerWaalsContact O-CB 3.31Å; K106-Y110 WeakPolarHBondContact O-CB 3.49Å; K106-Y110 PolarHBondContact O-N 3.49Å; K106-R153 WeakPolarHBondContact CE-O 3.41Å; K106-T154 HydrophobicContact CD-CG2 4.48Å; K106-T154 PolarHBondContact NZ-OG1 2.87Å
107	K	98.9	Very high	98.8	Very high	79 Å²	79	25 Å²	25	34%	0.343	13%	0.126	S	C	.	.	H	α-helix	trans	-68.3	-36.9	176.5	-177.2	166.3	173.7	38.6	0	112.5	N104 L105 Y110 D111 F422	N104-K107 VanDerWaalsContact O-CB 3.23Å; N104-K107 WeakPolarHBondContact O-CB 3.45Å; N104-K107 PolarHBondContact O-N 3.21Å; L105-K107 PolarHBondContact O-N 3.45Å; K107-Y110 PolarHBondContact O-N 2.96Å; K107-D111 IonicContact NZ-OD1 3.52Å; K107-D111 PolarHBondContact NZ-OD1 3.35Å; K107-D111 VanDerWaalsContact NZ-OD1 3.15Å; K107-D111 IonicContact NZ-OD2 3.81Å; K107-D111 PolarHBondContact NZ-OD2 3.15Å; K107-D111 WeakPolarHBondContact O-CB 3.48Å; K107-D111 PolarHBondContact O-N 3.32Å; K107-F422 HydrophobicContact CB-CE2 4.26Å; K107-F422 HydrophobicContact CB-CZ 4.26Å; K107-F422 HydrophobicContact CD-CD1 3.85Å; K107-F422 HydrophobicContact CD-CD2 4.26Å; K107-F422 HydrophobicContact CD-CE1 3.69Å; K107-F422 HydrophobicContact CD-CE2 4.1Å; K107-F422 HydrophobicContact CD-CG 4.13Å; K107-F422 HydrophobicContact CD-CZ 3.82Å; K107-F422 VanDerWaalsContact CE-CE1 3.48Å; K107-F422 HydrophobicContact CG-CE1 4.15Å; K107-F422 HydrophobicContact CG-CE2 4.32Å; K107-F422 HydrophobicContact CG-CZ 3.9Å
108	I	98.9	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-47.3	174.7	-68.6	-64.7	0	0	0	110.7	L105 Y110 D111 S112 H403 V407 Y410 F422 L424	L105-I108 HydrophobicContact CD2-CB 4.18Å; L105-I108 HydrophobicContact CD2-CG1 4.17Å; L105-I108 HydrophobicContact CD2-CG2 4.44Å; L105-I108 WeakPolarHBondContact O-CB 3.22Å; L105-I108 PolarHBondContact O-N 3.37Å; L105-I108 VanDerWaalsContact O-N 3.09Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 3.45Å; I108-D111 PolarHBondContact O-N 2.78Å; I108-S112 PolarHBondContact O-N 3.26Å; I108-S112 PolarHBondContact O-OG 3.1Å; I108-H403 HydrophobicContact CG2-CB 4.27Å; I108-V407 HydrophobicContact CD1-CG2 4.08Å; I108-V407 HydrophobicContact CG2-CG2 3.85Å; I108-Y410 HydrophobicContact CD1-CG 4.49Å; I108-F422 HydrophobicContact CD1-CZ 3.88Å; I108-F422 HydrophobicContact CG1-CZ 4.33Å; I108-L424 HydrophobicContact CD1-CD1 3.78Å; I108-L424 HydrophobicContact CG1-CD1 3.83Å
109	H	98.9	Very high	98.7	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.032	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-45.5	176.3	-74.5	-137.4	0	0	0	111.3	T97 F99 H100 L105 K106 S112 I113 I402 H403	T97-H109 PolarHBondContact O-ND1 2.96Å; F99-H109 PolarHBondContact O-CE1 3.33Å; F99-H109 PolarHBondContact O-ND1 2.98Å; F99-H109 VanDerWaalsContact O-ND1 3.12Å; H100-H109 AromaticContact CD2-CE1 3.81Å; H100-H109 AromaticContact CD2-NE2 3.39Å; H100-H109 PolarHBondContact CD2-NE2 2.98Å; H100-H109 AromaticContact CG-NE2 3.99Å; L105-H109 PolarHBondContact O-CD2 2.91Å; L105-H109 PolarHBondContact O-N 3.36Å; L105-H109 VanDerWaalsContact O-N 3.08Å; K106-H109 PolarHBondContact O-N 2.95Å; H109-S112 WeakPolarHBondContact O-CB 3.35Å; H109-S112 PolarHBondContact O-N 2.91Å; H109-I113 WeakPolarHBondContact O-CG1 3.43Å; H109-I113 PolarHBondContact O-N 2.99Å; H109-I402 HydrophobicContact CB-CD1 4.16Å; H109-I402 HydrophobicContact CB-CG1 4.19Å; H109-I402 WeakPolarHBondContact ND1-CG1 3.29Å; H109-H403 AromaticContact CD2-CD2 3.68Å; H109-H403 AromaticContact CD2-NE2 3.83Å; H109-H403 AromaticContact NE2-CD2 3.34Å; H109-H403 PolarHBondContact NE2-CD2 2.95Å; H109-H403 VanDerWaalsContact NE2-CD2 3.34Å; H109-H403 AromaticContact NE2-NE2 3.09Å; H109-H403 PolarHBondContact NE2-NE2 2.91Å
110	Y	98.9	Very high	98.7	Very high	70 Å²	70	32.7 Å²	32.7	28%	0.275	16%	0.16	S	C	.	.	H	α-helix	trans	-58.7	-52	178.1	-174.4	-83.3	0	0	0	111.9	Y98 K106 K107 I108 S112 I113 K114 A158	Y98-Y110 AromaticContact CD1-CD2 3.94Å; Y98-Y110 HydrophobicContact CD1-CD2 3.94Å; Y98-Y110 HydrophobicContact CD1-CG 4.46Å; Y98-Y110 AromaticContact CE1-CD2 3.6Å; Y98-Y110 HydrophobicContact CE1-CD2 3.6Å; Y98-Y110 HydrophobicContact CE1-CE2 4.19Å; Y98-Y110 HydrophobicContact CE1-CG 4.13Å; K106-Y110 VanDerWaalsContact O-CB 3.31Å; K106-Y110 WeakPolarHBondContact O-CB 3.49Å; K106-Y110 PolarHBondContact O-N 3.49Å; K107-Y110 PolarHBondContact O-N 2.96Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 3.45Å; Y110-S112 VanDerWaalsContact C-N 3.29Å; Y110-S112 PolarHBondContact O-N 3.31Å; Y110-I113 PolarHBondContact O-N 2.76Å; Y110-K114 HydrophobicContact CD1-CG 3.89Å; Y110-K114 HydrophobicContact CE1-CG 3.52Å; Y110-K114 WeakPolarHBondContact O-CB 3.32Å; Y110-K114 WeakPolarHBondContact O-CG 3.35Å; Y110-K114 PolarHBondContact O-N 2.99Å; Y110-A158 HydrophobicContact CD2-CB 4.39Å; Y110-A158 HydrophobicContact CE2-CB 3.92Å
111	D	98.9	Very high	98.7	Very high	26 Å²	26	40.3 Å²	40.3	14%	0.139	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-34.2	-178.4	-71.9	-12.9	0	0	0	111.4	K107 I108 L115	K107-D111 IonicContact NZ-OD1 3.52Å; K107-D111 PolarHBondContact NZ-OD1 3.35Å; K107-D111 VanDerWaalsContact NZ-OD1 3.15Å; K107-D111 IonicContact NZ-OD2 3.81Å; K107-D111 PolarHBondContact NZ-OD2 3.15Å; K107-D111 WeakPolarHBondContact O-CB 3.48Å; K107-D111 PolarHBondContact O-N 3.32Å; I108-D111 PolarHBondContact O-N 2.78Å; D111-L115 WeakPolarHBondContact O-CB 3.2Å; D111-L115 PolarHBondContact O-N 2.77Å
112	S	98.9	Very high	98.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-54.2	171.4	-71.7	0	0	0	0	112.3	I108 H109 Y110 K114 L115 Y116 I402 G405 G406	I108-S112 PolarHBondContact O-N 3.26Å; I108-S112 PolarHBondContact O-OG 3.1Å; H109-S112 WeakPolarHBondContact O-CB 3.35Å; H109-S112 PolarHBondContact O-N 2.91Å; Y110-S112 VanDerWaalsContact C-N 3.29Å; Y110-S112 PolarHBondContact O-N 3.31Å; S112-K114 VanDerWaalsContact C-N 3.31Å; S112-K114 PolarHBondContact O-N 3.3Å; S112-L115 WeakPolarHBondContact O-CB 3.41Å; S112-L115 PolarHBondContact O-N 2.71Å; S112-L115 VanDerWaalsContact O-N 3.08Å; S112-Y116 WeakPolarHBondContact O-CD1 3.42Å; S112-Y116 PolarHBondContact O-N 3.48Å; S112-I402 WeakPolarHBondContact CB-O 3.48Å; S112-I402 PolarHBondContact OG-O 3.45Å; S112-G405 PolarHBondContact OG-N 3.36Å; S112-G406 PolarHBondContact OG-N 2.58Å
113	I	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-43.4	-177	-69.1	165.6	0	0	0	110.1	Y98 H109 Y110 L115 Y116 E117 F129 D190 I402	Y98-I113 HydrophobicContact CD1-CB 4.46Å; Y98-I113 HydrophobicContact CD1-CD1 3.58Å; Y98-I113 HydrophobicContact CD2-CD1 3.77Å; Y98-I113 HydrophobicContact CE1-CB 3.8Å; Y98-I113 HydrophobicContact CE1-CD1 3.77Å; Y98-I113 HydrophobicContact CE1-CG1 4.37Å; Y98-I113 HydrophobicContact CE1-CG2 3.95Å; Y98-I113 HydrophobicContact CE2-CB 4.46Å; Y98-I113 HydrophobicContact CE2-CD1 3.91Å; Y98-I113 HydrophobicContact CE2-CG2 3.86Å; Y98-I113 HydrophobicContact CG-CD1 3.57Å; Y98-I113 WeakPolarHBondContact OH-CG2 3.38Å; H109-I113 WeakPolarHBondContact O-CG1 3.43Å; H109-I113 PolarHBondContact O-N 2.99Å; Y110-I113 PolarHBondContact O-N 2.76Å; I113-L115 VanDerWaalsContact C-N 3.27Å; I113-L115 PolarHBondContact O-N 2.68Å; I113-Y116 PolarHBondContact O-N 2.91Å; I113-Y116 VanDerWaalsContact O-N 3.09Å; I113-E117 WeakPolarHBondContact O-CG 3.36Å; I113-E117 PolarHBondContact O-N 2.86Å; I113-F129 HydrophobicContact CG1-CZ 4.43Å; I113-F129 HydrophobicContact CG2-CE1 3.88Å; I113-F129 HydrophobicContact CG2-CZ 3.76Å; I113-D190 HydrophobicContact CD1-CB 3.79Å; I113-I402 HydrophobicContact CD1-CD1 3.94Å; I113-I402 HydrophobicContact CG1-CD1 3.83Å
114	K	98.8	Very high	98.6	Very high	62 Å²	62	41.4 Å²	41.4	27%	0.27	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-32.3	176	-66.8	-42.6	-176.2	-170.7	0	113.3	Y98 Y110 S112 E117 K118	Y98-K114 WeakPolarHBondContact OH-CE 3.38Å; Y98-K114 PolarHBondContact OH-NZ 2.75Å; Y110-K114 HydrophobicContact CD1-CG 3.89Å; Y110-K114 HydrophobicContact CE1-CG 3.52Å; Y110-K114 WeakPolarHBondContact O-CB 3.32Å; Y110-K114 WeakPolarHBondContact O-CG 3.35Å; Y110-K114 PolarHBondContact O-N 2.99Å; S112-K114 VanDerWaalsContact C-N 3.31Å; S112-K114 PolarHBondContact O-N 3.3Å; K114-E117 WeakPolarHBondContact CD-OE2 3.33Å; K114-E117 IonicContact NZ-OE1 3.65Å; K114-E117 PolarHBondContact NZ-OE1 3.29Å; K114-E117 IonicContact NZ-OE2 3.62Å; K114-E117 PolarHBondContact NZ-OE2 3.39Å; K114-K118 WeakPolarHBondContact O-CE 3.36Å
115	L	98.9	Very high	98.5	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.068	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-48.1	170.7	174.9	62.6	0	0	0	111	Y66 H67 D111 S112 I113 E117 K118 L119 L202	Y66-L115 HydrophobicContact CE1-CD1 3.8Å; Y66-L115 HydrophobicContact CE1-CD2 4.26Å; Y66-L115 WeakPolarHBondContact OH-CD1 3.32Å; H67-L115 VanDerWaalsContact CE1-CD2 3.47Å; H67-L115 WeakPolarHBondContact CE1-CD2 3.49Å; D111-L115 WeakPolarHBondContact O-CB 3.2Å; D111-L115 PolarHBondContact O-N 2.77Å; S112-L115 WeakPolarHBondContact O-CB 3.41Å; S112-L115 PolarHBondContact O-N 2.71Å; S112-L115 VanDerWaalsContact O-N 3.08Å; I113-L115 VanDerWaalsContact C-N 3.27Å; I113-L115 PolarHBondContact O-N 2.68Å; L115-E117 VanDerWaalsContact C-N 3.3Å; L115-E117 PolarHBondContact O-N 3.28Å; L115-K118 PolarHBondContact O-N 2.93Å; L115-L119 HydrophobicContact CD1-CD2 4.08Å; L115-L119 HydrophobicContact CD1-CG 4.32Å; L115-L119 HydrophobicContact CG-CD1 4.45Å; L115-L119 HydrophobicContact CG-CD2 4.39Å; L115-L119 HydrophobicContact CG-CG 4.25Å; L115-L119 PolarHBondContact O-N 2.78Å; L115-L202 HydrophobicContact CD2-CD2 4.1Å
116	Y	98.9	Very high	98.5	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-37.3	-173.3	-58.8	-11.9	0	0	0	112.2	T96 S112 I113 K118 L119 I193 L198 I401 G405	T96-Y116 HydrophobicContact CG2-CD2 4.37Å; T96-Y116 HydrophobicContact CG2-CE2 4.04Å; S112-Y116 WeakPolarHBondContact O-CD1 3.42Å; S112-Y116 PolarHBondContact O-N 3.48Å; I113-Y116 PolarHBondContact O-N 2.91Å; I113-Y116 VanDerWaalsContact O-N 3.09Å; Y116-K118 PolarHBondContact O-N 3.4Å; Y116-L119 HydrophobicContact CD1-CD1 3.97Å; Y116-L119 PolarHBondContact O-N 2.91Å; Y116-I193 HydrophobicContact CD2-CD1 3.89Å; Y116-I193 HydrophobicContact CG-CD1 3.93Å; Y116-L198 HydrophobicContact CD1-CD1 3.54Å; Y116-L198 HydrophobicContact CE1-CD1 3.58Å; Y116-L198 HydrophobicContact CE1-CD2 4.1Å; Y116-L198 HydrophobicContact CE1-CG 4.47Å; Y116-L198 HydrophobicContact CE2-CD2 4.05Å; Y116-L198 HydrophobicContact CG-CD1 4.13Å; Y116-I401 PolarHBondContact OH-O 3.01Å; Y116-G405 PolarHBondContact OH-N 2.84Å
117	E	98.6	Very high	98.4	Very high	74 Å²	74	48.3 Å²	48.3	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-54.2	-32.3	171.4	-71.3	171.3	175.4	0	0	113.1	I113 K114 L115 F129 Q131	I113-E117 WeakPolarHBondContact O-CG 3.36Å; I113-E117 PolarHBondContact O-N 2.86Å; K114-E117 WeakPolarHBondContact CD-OE2 3.33Å; K114-E117 IonicContact NZ-OE1 3.65Å; K114-E117 PolarHBondContact NZ-OE1 3.29Å; K114-E117 IonicContact NZ-OE2 3.62Å; K114-E117 PolarHBondContact NZ-OE2 3.39Å; L115-E117 VanDerWaalsContact C-N 3.3Å; L115-E117 PolarHBondContact O-N 3.28Å; E117-F129 HydrophobicContact CG-CD1 4.37Å; E117-F129 HydrophobicContact CG-CE1 3.95Å; E117-Q131 PolarHBondContact OE1-NE2 3.07Å
118	K	98.6	Very high	98.3	Very high	113 Å²	113	45.6 Å²	45.6	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-99.2	-9.5	-173.2	-63.5	-177.9	-63	-173.5	0	114.2	K114 L115 Y116 E120 E121 E122	K114-K118 WeakPolarHBondContact O-CE 3.36Å; L115-K118 PolarHBondContact O-N 2.93Å; Y116-K118 PolarHBondContact O-N 3.4Å; K118-E120 PolarHBondContact O-N 2.95Å; K118-E121 PolarHBondContact O-N 2.93Å; K118-E122 WeakPolarHBondContact O-CB 3.48Å; K118-E122 PolarHBondContact O-N 3.05Å; K118-E122 VanDerWaalsContact O-N 3.08Å
119	L	98.3	Very high	98.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-37.5	-171.4	-81.4	176.4	0	0	0	112.8	Y66 L115 Y116 E122 T123 V127 L198 A201 L202	Y66-L119 HydrophobicContact CE2-CD2 4.42Å; L115-L119 HydrophobicContact CD1-CD2 4.08Å; L115-L119 HydrophobicContact CD1-CG 4.32Å; L115-L119 HydrophobicContact CG-CD1 4.45Å; L115-L119 HydrophobicContact CG-CD2 4.39Å; L115-L119 HydrophobicContact CG-CG 4.25Å; L115-L119 PolarHBondContact O-N 2.78Å; Y116-L119 HydrophobicContact CD1-CD1 3.97Å; Y116-L119 PolarHBondContact O-N 2.91Å; L119-E122 PolarHBondContact O-N 2.88Å; L119-T123 WeakPolarHBondContact O-CB 3.48Å; L119-T123 WeakPolarHBondContact O-CG2 3.39Å; L119-T123 PolarHBondContact O-N 3.33Å; L119-T123 PolarHBondContact O-OG1 2.82Å; L119-V127 HydrophobicContact CB-CG1 3.91Å; L119-V127 HydrophobicContact CD1-CG1 4.36Å; L119-L198 HydrophobicContact CD1-CD1 3.47Å; L119-L198 VanDerWaalsContact CD1-CD1 3.47Å; L119-A201 HydrophobicContact CB-CB 4.49Å; L119-L202 HydrophobicContact CD1-CD2 3.98Å; L119-L202 HydrophobicContact CD1-CG 4.01Å; L119-L202 HydrophobicContact CD2-CD2 3.88Å; L119-L202 HydrophobicContact CD2-CG 4.48Å
120	E	98.1	Very high	98.3	Very high	94 Å²	94	50.6 Å²	50.6	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-46.8	178.8	-176.6	173.2	156.8	0	0	111.4	K118 E122 T123 G124 Q125	K118-E120 PolarHBondContact O-N 2.95Å; E120-E122 VanDerWaalsContact C-N 3.28Å; E120-E122 PolarHBondContact O-N 3.23Å; E120-T123 PolarHBondContact O-N 3Å; E120-G124 VanDerWaalsContact O-CA 3.26Å; E120-G124 WeakPolarHBondContact O-CA 3.41Å; E120-G124 PolarHBondContact O-N 2.85Å; E120-Q125 VanDerWaalsContact CA-O 3.32Å; E120-Q125 WeakPolarHBondContact CA-O 3.36Å; E120-Q125 WeakPolarHBondContact CB-O 3.09Å
121	E	98.3	Very high	98.3	Very high	177 Å²	177	51.1 Å²	51.1	83%	0.827	27%	0.27	S	S	*	.	H	α-helix	trans	-59.1	-41	174.8	-174.7	-175.3	177.8	0	0	111.6	K118	K118-E121 PolarHBondContact O-N 2.93Å
122	E	98.3	Very high	98.3	Very high	30 Å²	30	51.2 Å²	51.2	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-73	-33.7	-176	180	167.8	-167.9	0	0	113.8	Y66 K70 K118 L119 E120 K208 Y209	Y66-E122 VanDerWaalsContact OH-CD 3.27Å; Y66-E122 PolarHBondContact OH-OE1 3.45Å; Y66-E122 PolarHBondContact OH-OE2 3.28Å; K70-E122 WeakPolarHBondContact CE-OE1 3.04Å; K70-E122 IonicContact NZ-OE1 3.42Å; K70-E122 PolarHBondContact NZ-OE1 2.67Å; K70-E122 IonicContact NZ-OE2 3.59Å; K70-E122 PolarHBondContact NZ-OE2 3.14Å; K118-E122 WeakPolarHBondContact O-CB 3.48Å; K118-E122 PolarHBondContact O-N 3.05Å; K118-E122 VanDerWaalsContact O-N 3.08Å; L119-E122 PolarHBondContact O-N 2.88Å; E120-E122 VanDerWaalsContact C-N 3.28Å; E120-E122 PolarHBondContact O-N 3.23Å; E122-K208 PolarHBondContact O-NZ 3.23Å; E122-Y209 WeakPolarHBondContact OE1-CE2 3.34Å; E122-Y209 VanDerWaalsContact OE1-CZ 3.27Å; E122-Y209 PolarHBondContact OE1-OH 2.88Å
123	T	98.1	Very high	98.3	Very high	31 Å²	31	51.2 Å²	51.2	19%	0.19	27%	0.272	C	S	.	.	H	α-helix	trans	-116.3	-16	-167.1	67.7	0	0	0	0	113.9	L119 E120 Q125 A201	L119-T123 WeakPolarHBondContact O-CB 3.48Å; L119-T123 WeakPolarHBondContact O-CG2 3.39Å; L119-T123 PolarHBondContact O-N 3.33Å; L119-T123 PolarHBondContact O-OG1 2.82Å; E120-T123 PolarHBondContact O-N 3Å; T123-Q125 PolarHBondContact O-N 3.04Å; T123-Q125 PolarHBondContact OG1-N 2.96Å; T123-A201 WeakPolarHBondContact CG2-O 3.44Å
124	G	97.8	Very high	98.3	Very high	70 Å²	70	51.7 Å²	51.7	72%	0.722	28%	0.276	S	S	*	.	S	Bend	trans	71.9	7.9	-171.1	0	0	0	0	0	114.1	E120	E120-G124 VanDerWaalsContact O-CA 3.26Å; E120-G124 WeakPolarHBondContact O-CA 3.41Å; E120-G124 PolarHBondContact O-N 2.85Å
125	Q	96.6	Very high	98.3	Very high	69 Å²	69	48.8 Å²	48.8	32%	0.322	26%	0.263	S	S	.	.			trans	-104.5	123.1	-179.7	-60.8	-170.9	18.3	0	0	110.8	E120 T123 V127 M200 A201	E120-Q125 VanDerWaalsContact CA-O 3.32Å; E120-Q125 WeakPolarHBondContact CA-O 3.36Å; E120-Q125 WeakPolarHBondContact CB-O 3.09Å; T123-Q125 PolarHBondContact O-N 3.04Å; T123-Q125 PolarHBondContact OG1-N 2.96Å; Q125-V127 PolarHBondContact O-N 2.85Å; Q125-M200 VanDerWaalsContact OE1-C 3.26Å; Q125-M200 PolarHBondContact OE1-O 3.28Å; Q125-A201 HydrophobicContact CB-CB 4.08Å
126	V	97.8	Very high	98.3	Very high	94 Å²	94	49.3 Å²	49.3	57%	0.57	26%	0.264	S	S	*	.			trans	-65.4	119.5	172.7	-179.1	0	0	0	0	108.5
127	V	96.9	Very high	98.3	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.024	26%	0.264	C	S	.	.			trans	-89.2	-5.6	-179	-65.9	0	0	0	0	113.3	L119 Q125 F129 I193 A201	L119-V127 HydrophobicContact CB-CG1 3.91Å; L119-V127 HydrophobicContact CD1-CG1 4.36Å; Q125-V127 PolarHBondContact O-N 2.85Å; V127-F129 HydrophobicContact CG2-CB 3.9Å; V127-I193 HydrophobicContact CB-CD1 4.07Å; V127-I193 HydrophobicContact CB-CG1 4.39Å; V127-I193 HydrophobicContact CG2-CD1 3.97Å; V127-I193 HydrophobicContact CG2-CG1 4.48Å; V127-I193 VanDerWaalsContact O-CG1 3.29Å; V127-I193 WeakPolarHBondContact O-CG1 3.36Å; V127-A201 HydrophobicContact CG1-CB 3.53Å
128	G	97.3	Very high	98.3	Very high	22 Å²	22	45.7 Å²	45.7	23%	0.227	25%	0.247	C	C	.	.			trans	62.2	44.7	-176.7	0	0	0	0	0	111.8	H130 I193 D194	G128-H130 PolarHBondContact O-CD2 2.97Å; G128-I193 WeakPolarHBondContact O-CA 3.23Å; G128-D194 PolarHBondContact O-N 3.44Å
129	F	98.7	Very high	98.3	Very high	32 Å²	32	41.5 Å²	41.5	14%	0.14	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.2	178.4	-171	-155.7	0	0	0	110.7	T96 I113 E117 V127 Q131 H192 I193	T96-F129 WeakPolarHBondContact OG1-CE2 3.29Å; I113-F129 HydrophobicContact CG1-CZ 4.43Å; I113-F129 HydrophobicContact CG2-CE1 3.88Å; I113-F129 HydrophobicContact CG2-CZ 3.76Å; E117-F129 HydrophobicContact CG-CD1 4.37Å; E117-F129 HydrophobicContact CG-CE1 3.95Å; V127-F129 HydrophobicContact CG2-CB 3.9Å; F129-Q131 HydrophobicContact CD1-CG 3.78Å; F129-Q131 HydrophobicContact CD2-CG 4.04Å; F129-Q131 VanDerWaalsContact CE1-CD 3.46Å; F129-Q131 HydrophobicContact CE1-CG 3.62Å; F129-Q131 HydrophobicContact CE2-CG 3.87Å; F129-Q131 HydrophobicContact CG-CG 3.99Å; F129-Q131 HydrophobicContact CZ-CG 3.66Å; F129-H192 WeakPolarHBondContact CD2-O 3.31Å; F129-I193 HydrophobicContact CB-CD1 3.85Å; F129-I193 HydrophobicContact CB-CG1 3.95Å; F129-I193 HydrophobicContact CD2-CB 3.97Å; F129-I193 HydrophobicContact CD2-CD1 4.24Å; F129-I193 HydrophobicContact CD2-CG1 4.27Å; F129-I193 HydrophobicContact CG-CD1 4.06Å; F129-I193 HydrophobicContact CG-CG1 4.36Å
130	H	98.8	Very high	98.3	Very high	80 Å²	80	43.2 Å²	43.2	37%	0.37	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.9	178.7	-73.7	-126.1	0	0	0	109.2	G128 P132 G191 H192 E287	G128-H130 PolarHBondContact O-CD2 2.97Å; H130-P132 VanDerWaalsContact O-CD 3.27Å; H130-P132 WeakPolarHBondContact O-CD 3.35Å; H130-G191 WeakPolarHBondContact O-CA 3.42Å; H130-H192 VanDerWaalsContact CB-NE2 3.31Å; H130-H192 WeakPolarHBondContact CB-NE2 3.44Å; H130-H192 AromaticContact CG-CE1 3.6Å; H130-H192 AromaticContact CG-NE2 3.66Å; H130-H192 PolarHBondContact N-O 3.27Å; H130-H192 AromaticContact ND1-CE1 3.91Å; H130-H192 AromaticContact ND1-NE2 3.86Å; H130-H192 PolarHBondContact O-N 2.98Å; H130-E287 IonicContact CE1-OE2 2.95Å; H130-E287 IonicContact CG-OE1 2.7Å; H130-E287 IonicContact CG-OE2 3.48Å; H130-E287 VanDerWaalsContact ND1-CD 3.27Å; H130-E287 IonicContact ND1-OE1 3.12Å; H130-E287 PolarHBondContact ND1-OE1 3.48Å; H130-E287 IonicContact ND1-OE2 3.68Å; H130-E287 PolarHBondContact ND1-OE2 2.69Å
131	Q	98.8	Very high	98.4	Very high	82 Å²	82	43.4 Å²	43.4	38%	0.383	25%	0.251	S	S	.	.			trans	-118.3	49.2	-169.4	-59.8	-178.3	-91.8	0	0	114.7	E117 F129 G133 G189 D190	E117-Q131 PolarHBondContact OE1-NE2 3.07Å; F129-Q131 HydrophobicContact CD1-CG 3.78Å; F129-Q131 HydrophobicContact CD2-CG 4.04Å; F129-Q131 VanDerWaalsContact CE1-CD 3.46Å; F129-Q131 HydrophobicContact CE1-CG 3.62Å; F129-Q131 HydrophobicContact CE2-CG 3.87Å; F129-Q131 HydrophobicContact CG-CG 3.99Å; F129-Q131 HydrophobicContact CZ-CG 3.66Å; Q131-G133 PolarHBondContact O-N 2.72Å; Q131-G189 PolarHBondContact NE2-O 2.95Å; Q131-D190 CarbonylContact C-O 3.28Å; Q131-D190 WeakPolarHBondContact CA-O 3.18Å
132	P	98.8	Very high	98.4	Very high	28 Å²	28	37.2 Å²	37.2	18%	0.182	23%	0.225	C	C	.	.	S	Bend	trans	-72	-10.1	179.3	33.5	-37.8	0	0	0	113.6	H130 E287 L288	H130-P132 VanDerWaalsContact O-CD 3.27Å; H130-P132 WeakPolarHBondContact O-CD 3.35Å; P132-E287 HydrophobicContact CB-CB 4.3Å; P132-E287 HydrophobicContact CB-CG 4.28Å; P132-E287 HydrophobicContact CG-CG 4.19Å; P132-L288 WeakPolarHBondContact CG-O 3.23Å
133	G	98.9	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.22	C	C	.	.			trans	89	171.9	-169.4	0	0	0	0	0	112.8	Q131 N187 D190 P289 V290	Q131-G133 PolarHBondContact O-N 2.72Å; G133-N187 CarbonylContact C-O 3.49Å; G133-N187 WeakPolarHBondContact CA-O 3.44Å; G133-D190 WeakPolarHBondContact CA-O 3.28Å; G133-D190 VanDerWaalsContact CA-OD1 3.32Å; G133-D190 WeakPolarHBondContact CA-OD1 3.27Å; G133-D190 PolarHBondContact N-O 3.3Å; G133-P289 CarbonylContact O-C 3.53Å; G133-P289 WeakPolarHBondContact O-CA 2.87Å; G133-P289 VanDerWaalsContact O-CB 3.24Å; G133-P289 WeakPolarHBondContact O-CB 3.43Å; G133-V290 PolarHBondContact O-N 3.29Å
134	S	98.9	Very high	98.5	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.2	-177.4	-56.6	0	0	0	0	111.2	Y186 N187 D190 V290	S134-Y186 WeakPolarHBondContact O-CA 3.45Å; S134-Y186 WeakPolarHBondContact O-CD2 3.4Å; S134-N187 PolarHBondContact N-O 2.91Å; S134-N187 PolarHBondContact O-N 2.67Å; S134-D190 WeakPolarHBondContact CB-OD1 3.49Å; S134-D190 PolarHBondContact N-OD1 2.82Å; S134-D190 VanDerWaalsContact OG-CG 3.32Å; S134-D190 PolarHBondContact OG-OD1 3.39Å; S134-V290 CarbonylContact C-O 3.48Å; S134-V290 VanDerWaalsContact CA-O 3.28Å; S134-V290 WeakPolarHBondContact CA-O 3.36Å
135	I	98.9	Very high	98.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.4	178.6	-54.9	171.2	0	0	0	109.7	L137 I164 M172 L185 Y186 P289 V290 L291 R292	I135-L137 HydrophobicContact CG2-CD2 3.93Å; I135-I164 HydrophobicContact CD1-CD1 4.16Å; I135-I164 HydrophobicContact CG1-CD1 4.39Å; I135-I164 HydrophobicContact CG2-CD1 4.47Å; I135-M172 HydrophobicContact CD1-CB 4.15Å; I135-M172 HydrophobicContact CD1-CE 3.94Å; I135-M172 HydrophobicContact CD1-SD 4.22Å; I135-M172 HydrophobicContact CG1-CE 4.45Å; I135-L185 WeakPolarHBondContact CA-O 3.45Å; I135-Y186 HydrophobicContact CG1-CD2 3.73Å; I135-Y186 HydrophobicContact CG1-CG 4.46Å; I135-P289 HydrophobicContact CD1-CB 4.11Å; I135-P289 HydrophobicContact CD1-CG 3.64Å; I135-P289 HydrophobicContact CG1-CB 4.23Å; I135-P289 HydrophobicContact CG1-CG 4.29Å; I135-V290 PolarHBondContact N-O 2.84Å; I135-L291 HydrophobicContact CB-CD2 3.85Å; I135-L291 HydrophobicContact CD1-CD2 4.5Å; I135-L291 HydrophobicContact CG2-CD2 4.4Å; I135-L291 CarbonylContact O-C 3.54Å; I135-L291 WeakPolarHBondContact O-CA 3.12Å; I135-R292 PolarHBondContact O-N 2.85Å
136	R	98.9	Very high	98.6	Very high	23 Å²	23	31.2 Å²	31.2	9%	0.087	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.2	166.3	-55.7	172	65.1	85.6	-1.7	108.8	F147 G184 L185 R292 L294	R136-F147 HydrophobicContact CB-CE1 4.28Å; R136-F147 HydrophobicContact CB-CZ 3.92Å; R136-F147 VanDerWaalsContact O-CE2 3.29Å; R136-F147 WeakPolarHBondContact O-CE2 3.4Å; R136-F147 VanDerWaalsContact O-CZ 3.3Å; R136-F147 WeakPolarHBondContact O-CZ 3.37Å; R136-G184 CarbonylContact O-C 3.57Å; R136-G184 VanDerWaalsContact O-CA 3.26Å; R136-G184 WeakPolarHBondContact O-CA 3.31Å; R136-L185 HydrophobicContact CB-CB 4.26Å; R136-L185 PolarHBondContact N-O 3.45Å; R136-L185 PolarHBondContact O-N 3.25Å; R136-R292 HydrophobicContact CG-CB 4.34Å; R136-R292 VanDerWaalsContact NH1-CD 3.28Å; R136-L294 HydrophobicContact CB-CD1 4.38Å
137	L	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.8	-175.3	-60.5	176.5	0	0	0	111.9	I135 I169 L176 V181 R292 M355	I135-L137 HydrophobicContact CG2-CD2 3.93Å; L137-I169 HydrophobicContact CD2-CD1 4.4Å; L137-I169 HydrophobicContact CD2-CG2 4.06Å; L137-L176 HydrophobicContact CD1-CD1 4.02Å; L137-L176 HydrophobicContact CD1-CD2 3.87Å; L137-L176 HydrophobicContact CD2-CD2 3.92Å; L137-V181 HydrophobicContact CD2-CG1 4.35Å; L137-R292 PolarHBondContact N-O 2.97Å; L137-M355 HydrophobicContact CD1-CG 4.44Å; L137-M355 HydrophobicContact CD1-SD 4.31Å
138	A	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.7	165.4	0	0	0	0	0	109.3	R143 V144 F147 L182 A183	A138-R143 HydrophobicContact CB-CB 3.45Å; A138-R143 VanDerWaalsContact CB-CB 3.45Å; A138-V144 HydrophobicContact CB-CG2 3.99Å; A138-F147 HydrophobicContact CB-CD2 3.89Å; A138-F147 HydrophobicContact CB-CE2 3.41Å; A138-F147 VanDerWaalsContact CB-CE2 3.41Å; A138-F147 HydrophobicContact CB-CZ 3.89Å; A138-L182 PolarHBondContact O-N 2.86Å; A138-A183 HydrophobicContact CB-CB 4.39Å; A138-A183 PolarHBondContact N-O 2.68Å; A138-A183 PolarHBondContact O-N 2.92Å
139	T	98.8	Very high	98.9	Very high	25 Å²	25	29.9 Å²	29.9	15%	0.153	16%	0.158	C	C	.	.			trans	-115.7	1.2	175.6	52.9	0	0	0	0	112.9	K180 E295 M355	T139-K180 VanDerWaalsContact CA-O 3.26Å; T139-K180 WeakPolarHBondContact CA-O 3.35Å; T139-K180 WeakPolarHBondContact CB-O 3.26Å; T139-K180 HydrophobicContact CG2-CB 4.39Å; T139-E295 WeakPolarHBondContact OG1-CG 3.32Å; T139-M355 HydrophobicContact CG2-CE 3.99Å
140	T	98.9	Very high	98.9	Very high	36 Å²	36	28.6 Å²	28.6	22%	0.221	15%	0.153	C	C	.	.	S	Bend	trans	-130.6	150.4	174.8	64.8	0	0	0	0	110.1	V142 R143 V144 L182 E295	T140-V142 PolarHBondContact O-N 2.84Å; T140-V142 WeakPolarHBondContact OG1-CG1 3.39Å; T140-R143 WeakPolarHBondContact O-CB 3.44Å; T140-R143 PolarHBondContact O-N 3.33Å; T140-R143 WeakPolarHBondContact OG1-CG 3.2Å; T140-V144 PolarHBondContact O-N 3.14Å; T140-L182 VanDerWaalsContact C-CD1 3.43Å; T140-E295 HydrophobicContact CG2-CG 4.07Å
141	P	98.8	Very high	98.9	Very high	98 Å²	98	26.5 Å²	26.5	64%	0.636	14%	0.143	S	C	*	.	H	α-helix	trans	-57.9	-33.2	179.8	-27.3	35.7	0	0	0	113.4	R143 V144 D145 L182	P141-R143 VanDerWaalsContact C-N 3.27Å; P141-R143 PolarHBondContact O-N 2.79Å; P141-V144 WeakPolarHBondContact O-CB 3.41Å; P141-V144 PolarHBondContact O-N 3.17Å; P141-V144 VanDerWaalsContact O-N 3.12Å; P141-D145 PolarHBondContact O-N 3.12Å; P141-D145 VanDerWaalsContact O-N 3.16Å; P141-L182 HydrophobicContact CG-CD1 4.3Å
142	V	98.8	Very high	98.9	Very high	47 Å²	47	22.7 Å²	22.7	29%	0.285	13%	0.126	S	C	.	.	H	α-helix	trans	-67.6	-28.1	179.2	70.2	0	0	0	0	112.8	T140 D145 E146 V455 Y457 F509	T140-V142 PolarHBondContact O-N 2.84Å; T140-V142 WeakPolarHBondContact OG1-CG1 3.39Å; V142-D145 PolarHBondContact O-N 2.88Å; V142-E146 PolarHBondContact O-N 3.18Å; V142-V455 HydrophobicContact CG1-CG2 4.11Å; V142-V455 HydrophobicContact CG2-CG1 4.3Å; V142-V455 HydrophobicContact CG2-CG2 4.49Å; V142-Y457 HydrophobicContact CG2-CE1 3.85Å; V142-Y457 WeakPolarHBondContact CG2-OH 3.32Å; V142-F509 HydrophobicContact CG2-CD2 4.34Å; V142-F509 HydrophobicContact CG2-CE2 3.93Å; V142-F509 WeakPolarHBondContact O-CE2 3.36Å
143	R	98.8	Very high	98.9	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-72.1	-32	171	-68.8	-65.7	167.3	173.6	3	113.5	A138 T140 P141 D145 E146 F147 E295 N453 I454 V455	A138-R143 HydrophobicContact CB-CB 3.45Å; A138-R143 VanDerWaalsContact CB-CB 3.45Å; T140-R143 WeakPolarHBondContact O-CB 3.44Å; T140-R143 PolarHBondContact O-N 3.33Å; T140-R143 WeakPolarHBondContact OG1-CG 3.2Å; P141-R143 VanDerWaalsContact C-N 3.27Å; P141-R143 PolarHBondContact O-N 2.79Å; R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 PolarHBondContact O-N 3.34Å; R143-E146 WeakPolarHBondContact CD-OE2 3.31Å; R143-E146 IonicContact CZ-OE2 3.23Å; R143-E146 IonicContact NE-OE2 3.77Å; R143-E146 VanDerWaalsContact NH1-CD 3.35Å; R143-E146 IonicContact NH1-OE1 2.68Å; R143-E146 PolarHBondContact NH1-OE1 3.42Å; R143-E146 IonicContact NH1-OE2 2.84Å; R143-E146 PolarHBondContact NH1-OE2 3.48Å; R143-E146 WeakPolarHBondContact O-CB 3.48Å; R143-E146 PolarHBondContact O-N 3.39Å; R143-F147 WeakPolarHBondContact O-CD1 3.32Å; R143-F147 VanDerWaalsContact O-CG 3.3Å; R143-F147 WeakPolarHBondContact O-CG 3.26Å; R143-F147 PolarHBondContact O-N 3.13Å; R143-E295 WeakPolarHBondContact CG-OE1 3.3Å; R143-E295 IonicContact CZ-OE1 3.15Å; R143-E295 IonicContact NE-OE1 2.81Å; R143-E295 PolarHBondContact NE-OE1 2.99Å; R143-E295 IonicContact NH2-OE1 3.02Å; R143-E295 PolarHBondContact NH2-OE1 3.24Å; R143-N453 PolarHBondContact NH1-O 3.03Å; R143-N453 PolarHBondContact NH2-O 2.79Å; R143-I454 VanDerWaalsContact NH1-C 3.26Å; R143-I454 PolarHBondContact NH1-O 3.12Å; R143-I454 PolarHBondContact NH2-O 3.39Å; R143-V455 VanDerWaalsContact CZ-CA 3.44Å; R143-V455 VanDerWaalsContact NH2-CG2 3.27Å
144	V	98.9	Very high	98.9	Very high	30 Å²	30	22.6 Å²	22.6	18%	0.182	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-40.3	171.8	-177	0	0	0	0	109.9	A138 T140 P141 F147 K148 L182 A183	A138-V144 HydrophobicContact CB-CG2 3.99Å; T140-V144 PolarHBondContact O-N 3.14Å; P141-V144 WeakPolarHBondContact O-CB 3.41Å; P141-V144 PolarHBondContact O-N 3.17Å; P141-V144 VanDerWaalsContact O-N 3.12Å; V144-F147 PolarHBondContact O-N 3.44Å; V144-K148 WeakPolarHBondContact O-CG 3.41Å; V144-K148 PolarHBondContact O-N 2.81Å; V144-L182 HydrophobicContact CG2-CB 3.89Å; V144-L182 HydrophobicContact CG2-CD1 4.28Å; V144-A183 HydrophobicContact CG2-CB 4.22Å
145	D	98.9	Very high	98.9	Very high	26 Å²	26	23.7 Å²	23.7	14%	0.139	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-39.2	173.8	-80.2	-14.7	0	0	0	112.5	P141 V142 R143 F147 K148 Y149 F509 R510	P141-D145 PolarHBondContact O-N 3.12Å; P141-D145 VanDerWaalsContact O-N 3.16Å; V142-D145 PolarHBondContact O-N 2.88Å; R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 PolarHBondContact O-N 3.34Å; D145-F147 VanDerWaalsContact C-N 3.29Å; D145-F147 PolarHBondContact O-N 3.19Å; D145-K148 PolarHBondContact O-N 3.5Å; D145-Y149 WeakPolarHBondContact O-CB 3.45Å; D145-Y149 PolarHBondContact O-N 3.06Å; D145-F509 HydrophobicContact CB-CD2 3.58Å; D145-F509 HydrophobicContact CB-CE2 4.03Å; D145-F509 HydrophobicContact CB-CG 4.18Å; D145-R510 IonicContact OD1-NH2 2.81Å; D145-R510 IonicContact OD2-CZ 2.88Å; D145-R510 IonicContact OD2-NH1 2.95Å; D145-R510 PolarHBondContact OD2-NH1 3.46Å; D145-R510 IonicContact OD2-NH2 2.78Å
146	E	98.9	Very high	98.9	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.047	15%	0.147	C	C	.	.	H	α-helix	trans	-57.6	-43	171.4	-173	-175	-150.7	0	0	111.4	V142 R143 Y149 Q150 V455 G456 F509	V142-E146 PolarHBondContact O-N 3.18Å; R143-E146 WeakPolarHBondContact CD-OE2 3.31Å; R143-E146 IonicContact CZ-OE2 3.23Å; R143-E146 IonicContact NE-OE2 3.77Å; R143-E146 VanDerWaalsContact NH1-CD 3.35Å; R143-E146 IonicContact NH1-OE1 2.68Å; R143-E146 PolarHBondContact NH1-OE1 3.42Å; R143-E146 IonicContact NH1-OE2 2.84Å; R143-E146 PolarHBondContact NH1-OE2 3.48Å; R143-E146 WeakPolarHBondContact O-CB 3.48Å; R143-E146 PolarHBondContact O-N 3.39Å; E146-Y149 WeakPolarHBondContact O-CB 3.48Å; E146-Y149 PolarHBondContact O-N 2.9Å; E146-Q150 HydrophobicContact CG-CG 4.45Å; E146-Q150 WeakPolarHBondContact O-CB 3.43Å; E146-Q150 VanDerWaalsContact O-CG 3.29Å; E146-Q150 WeakPolarHBondContact O-CG 3.44Å; E146-Q150 PolarHBondContact O-N 2.99Å; E146-V455 HydrophobicContact CB-CG1 4.41Å; E146-G456 PolarHBondContact OE1-N 2.85Å; E146-F509 HydrophobicContact CB-CE1 4.3Å; E146-F509 HydrophobicContact CB-CE2 4.09Å; E146-F509 HydrophobicContact CB-CZ 3.52Å; E146-F509 HydrophobicContact CG-CZ 3.99Å
147	F	98.9	Very high	98.8	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-41	179.5	-69	-0.6	0	0	0	111.6	R136 A138 R143 V144 D145 Q150 M151 I163 L185 L294	R136-F147 HydrophobicContact CB-CE1 4.28Å; R136-F147 HydrophobicContact CB-CZ 3.92Å; R136-F147 VanDerWaalsContact O-CE2 3.29Å; R136-F147 WeakPolarHBondContact O-CE2 3.4Å; R136-F147 VanDerWaalsContact O-CZ 3.3Å; R136-F147 WeakPolarHBondContact O-CZ 3.37Å; A138-F147 HydrophobicContact CB-CD2 3.89Å; A138-F147 HydrophobicContact CB-CE2 3.41Å; A138-F147 VanDerWaalsContact CB-CE2 3.41Å; A138-F147 HydrophobicContact CB-CZ 3.89Å; R143-F147 WeakPolarHBondContact O-CD1 3.32Å; R143-F147 VanDerWaalsContact O-CG 3.3Å; R143-F147 WeakPolarHBondContact O-CG 3.26Å; R143-F147 PolarHBondContact O-N 3.13Å; V144-F147 PolarHBondContact O-N 3.44Å; D145-F147 VanDerWaalsContact C-N 3.29Å; D145-F147 PolarHBondContact O-N 3.19Å; F147-Q150 PolarHBondContact O-N 3.13Å; F147-M151 WeakPolarHBondContact O-CG 3.28Å; F147-M151 PolarHBondContact O-N 3.33Å; F147-I163 HydrophobicContact CB-CD1 4Å; F147-I163 HydrophobicContact CB-CG1 4.08Å; F147-L185 HydrophobicContact CB-CD1 4.24Å; F147-L185 HydrophobicContact CD1-CB 4.02Å; F147-L185 HydrophobicContact CD1-CD2 4.16Å; F147-L185 HydrophobicContact CD2-CB 3.79Å; F147-L185 HydrophobicContact CE1-CB 4.12Å; F147-L185 HydrophobicContact CE2-CB 3.87Å; F147-L185 HydrophobicContact CG-CB 3.87Å; F147-L185 HydrophobicContact CG-CD1 4.44Å; F147-L185 HydrophobicContact CG-CD2 4.48Å; F147-L185 HydrophobicContact CZ-CB 4.05Å; F147-L294 HydrophobicContact CE1-CD1 3.69Å; F147-L294 HydrophobicContact CZ-CD1 3.91Å
148	K	98.9	Very high	98.8	Very high	69 Å²	69	31.1 Å²	31.1	30%	0.3	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-41.9	174	-70.5	167.1	175.2	178.9	0	112	V144 D145 Q150 M151 T152 I163	V144-K148 WeakPolarHBondContact O-CG 3.41Å; V144-K148 PolarHBondContact O-N 2.81Å; D145-K148 PolarHBondContact O-N 3.5Å; K148-Q150 VanDerWaalsContact C-N 3.35Å; K148-M151 PolarHBondContact O-N 3.42Å; K148-T152 PolarHBondContact O-N 2.97Å; K148-I163 HydrophobicContact CG-CD1 3.92Å
149	Y	98.9	Very high	98.8	Very high	22 Å²	22	31.6 Å²	31.6	9%	0.086	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-44.5	172.5	172	-103.9	0	0	0	111.6	D145 E146 M151 T152 R153 P458 F509 E785	D145-Y149 WeakPolarHBondContact O-CB 3.45Å; D145-Y149 PolarHBondContact O-N 3.06Å; E146-Y149 WeakPolarHBondContact O-CB 3.48Å; E146-Y149 PolarHBondContact O-N 2.9Å; Y149-M151 PolarHBondContact O-N 3.34Å; Y149-T152 VanDerWaalsContact O-CG2 3.23Å; Y149-T152 WeakPolarHBondContact O-CG2 3.35Å; Y149-R153 VanDerWaalsContact O-CD 3.29Å; Y149-R153 WeakPolarHBondContact O-CD 3.27Å; Y149-R153 WeakPolarHBondContact O-CG 3.4Å; Y149-R153 PolarHBondContact O-N 3.04Å; Y149-R153 PolarHBondContact OH-NH1 2.79Å; Y149-R153 VanDerWaalsContact OH-NH1 3.14Å; Y149-P458 HydrophobicContact CE2-CB 4.25Å; Y149-F509 HydrophobicContact CD1-CD1 4.43Å; Y149-F509 AromaticContact CD1-CE1 3.96Å; Y149-F509 HydrophobicContact CD1-CE1 3.96Å; Y149-F509 HydrophobicContact CD2-CD1 4.3Å; Y149-F509 AromaticContact CG-CD1 3.94Å; Y149-F509 HydrophobicContact CG-CD1 3.94Å; Y149-F509 AromaticContact CG-CE1 3.9Å; Y149-F509 HydrophobicContact CG-CE1 3.9Å; Y149-E785 WeakPolarHBondContact CE2-OE1 3.38Å; Y149-E785 PolarHBondContact OH-OE1 2.79Å
150	Q	98.9	Very high	98.8	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-69.7	-29.9	178	-68.8	-62.3	-13.5	0	0	113.5	F99 P101 E146 F147 K148 R153 T154 L185	F99-Q150 HydrophobicContact CE2-CG 4.38Å; P101-Q150 PolarHBondContact O-NE2 3.48Å; P101-Q150 PolarHBondContact O-OE1 3.04Å; E146-Q150 HydrophobicContact CG-CG 4.45Å; E146-Q150 WeakPolarHBondContact O-CB 3.43Å; E146-Q150 VanDerWaalsContact O-CG 3.29Å; E146-Q150 WeakPolarHBondContact O-CG 3.44Å; E146-Q150 PolarHBondContact O-N 2.99Å; F147-Q150 PolarHBondContact O-N 3.13Å; K148-Q150 VanDerWaalsContact C-N 3.35Å; Q150-R153 PolarHBondContact O-N 2.78Å; Q150-T154 WeakPolarHBondContact O-CB 3.38Å; Q150-T154 PolarHBondContact O-N 2.91Å; Q150-T154 VanDerWaalsContact O-N 3.16Å; Q150-T154 PolarHBondContact O-OG1 2.86Å; Q150-L185 HydrophobicContact CB-CD2 4.21Å
151	M	98.9	Very high	98.8	Very high	36 Å²	36	34.1 Å²	34.1	18%	0.177	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-50.6	177.4	-80.6	-54.1	-63.5	0	0	112.3	F147 K148 Y149 R153 T154 G155 Q161 I163 L185	F147-M151 WeakPolarHBondContact O-CG 3.28Å; F147-M151 PolarHBondContact O-N 3.33Å; K148-M151 PolarHBondContact O-N 3.42Å; Y149-M151 PolarHBondContact O-N 3.34Å; M151-R153 PolarHBondContact O-N 3.15Å; M151-T154 PolarHBondContact O-N 3Å; M151-G155 PolarHBondContact O-N 2.9Å; M151-Q161 VanDerWaalsContact CE-O 3.24Å; M151-Q161 WeakPolarHBondContact CE-O 3.2Å; M151-Q161 HydrophobicContact SD-CB 4.13Å; M151-Q161 HydrophobicContact SD-CG 3.83Å; M151-I163 HydrophobicContact CB-CD1 4.39Å; M151-I163 HydrophobicContact CG-CD1 3.54Å; M151-I163 HydrophobicContact CG-CG1 3.55Å; M151-I163 HydrophobicContact SD-CG1 4.34Å; M151-L185 HydrophobicContact CG-CD1 3.97Å; M151-L185 HydrophobicContact SD-CD1 3.7Å
152	T	98.9	Very high	98.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-31.9	176.8	-176.6	0	0	0	0	111.9	K148 Y149 T154 E788 S789 E832	K148-T152 PolarHBondContact O-N 2.97Å; Y149-T152 VanDerWaalsContact O-CG2 3.23Å; Y149-T152 WeakPolarHBondContact O-CG2 3.35Å; T152-T154 VanDerWaalsContact C-N 3.27Å; T152-T154 PolarHBondContact O-N 2.92Å; T152-E788 HydrophobicContact CG2-CB 4.35Å; T152-E788 HydrophobicContact CG2-CG 4.04Å; T152-E788 WeakPolarHBondContact OG1-CA 3.34Å; T152-E788 WeakPolarHBondContact OG1-CB 3.36Å; T152-S789 WeakPolarHBondContact O-CB 3.48Å; T152-S789 PolarHBondContact O-N 3.2Å; T152-S789 PolarHBondContact O-OG 3.16Å; T152-S789 PolarHBondContact OG1-N 2.85Å; T152-E832 VanDerWaalsContact CB-O 3.3Å; T152-E832 WeakPolarHBondContact CB-O 3.27Å; T152-E832 PolarHBondContact OG1-O 3.21Å
153	R	98.9	Very high	98.8	Very high	22 Å²	22	35 Å²	35	8%	0.083	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.3	174.6	-68.8	164	57.6	83.9	-1	115	P101 I103 K106 Y149 Q150 M151 W156 H157 N787	P101-R153 PolarHBondContact O-NH2 3.27Å; I103-R153 HydrophobicContact CD1-CB 4.29Å; I103-R153 VanDerWaalsContact CD1-CZ 3.47Å; K106-R153 WeakPolarHBondContact CE-O 3.41Å; Y149-R153 VanDerWaalsContact O-CD 3.29Å; Y149-R153 WeakPolarHBondContact O-CD 3.27Å; Y149-R153 WeakPolarHBondContact O-CG 3.4Å; Y149-R153 PolarHBondContact O-N 3.04Å; Y149-R153 PolarHBondContact OH-NH1 2.79Å; Y149-R153 VanDerWaalsContact OH-NH1 3.14Å; Q150-R153 PolarHBondContact O-N 2.78Å; M151-R153 PolarHBondContact O-N 3.15Å; R153-W156 PolarHBondContact O-NE1 3.45Å; R153-H157 PolarHBondContact O-CE1 3.23Å; R153-H157 VanDerWaalsContact O-CE1 3.29Å; R153-H157 PolarHBondContact O-ND1 3.42Å; R153-H157 VanDerWaalsContact O-ND1 3.12Å; R153-N787 VanDerWaalsContact CA-O 3.31Å; R153-N787 WeakPolarHBondContact CA-O 3.14Å; R153-N787 HydrophobicContact CG-CB 4.33Å
154	T	98.9	Very high	98.8	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-25.6	-177.7	-52.2	0	0	0	0	111.9	K106 Q150 M151 T152 W156 H157 T159 Q161	K106-T154 HydrophobicContact CD-CG2 4.48Å; K106-T154 PolarHBondContact NZ-OG1 2.87Å; Q150-T154 WeakPolarHBondContact O-CB 3.38Å; Q150-T154 PolarHBondContact O-N 2.91Å; Q150-T154 VanDerWaalsContact O-N 3.16Å; Q150-T154 PolarHBondContact O-OG1 2.86Å; M151-T154 PolarHBondContact O-N 3Å; T152-T154 VanDerWaalsContact C-N 3.27Å; T152-T154 PolarHBondContact O-N 2.92Å; T154-W156 PolarHBondContact O-N 3.43Å; T154-H157 WeakPolarHBondContact O-CB 3.41Å; T154-H157 PolarHBondContact O-N 2.83Å; T154-T159 HydrophobicContact CG2-CG2 3.9Å; T154-Q161 HydrophobicContact CG2-CB 3.99Å; T154-Q161 PolarHBondContact OG1-NE2 2.88Å
155	G	98.4	Very high	98.8	Very high	34 Å²	34	39.6 Å²	39.6	35%	0.351	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.5	-174.1	0	0	0	0	0	116	M151 S789	M151-G155 PolarHBondContact O-N 2.9Å; G155-S789 WeakPolarHBondContact CA-OG 3.21Å
156	W	98.6	Very high	98.8	Very high	66 Å²	66	39.8 Å²	39.8	25%	0.25	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	3.8	175.5	60.4	-91.9	0	0	0	114.3	I103 R153 T154 N787 S789 V796 N799	I103-W156 HydrophobicContact CD1-CZ2 4.43Å; I103-W156 HydrophobicContact CG2-CH2 3.44Å; I103-W156 VanDerWaalsContact CG2-CH2 3.44Å; I103-W156 HydrophobicContact CG2-CZ2 3.67Å; R153-W156 PolarHBondContact O-NE1 3.45Å; T154-W156 PolarHBondContact O-N 3.43Å; W156-N787 HydrophobicContact CZ2-CB 4.19Å; W156-N787 PolarHBondContact NE1-O 2.71Å; W156-S789 PolarHBondContact N-OG 3.44Å; W156-V796 HydrophobicContact CB-CG1 3.86Å; W156-N799 HydrophobicContact CB-CB 4.18Å; W156-N799 HydrophobicContact CD2-CB 3.71Å; W156-N799 HydrophobicContact CE3-CB 4.39Å; W156-N799 HydrophobicContact CG-CB 3.6Å; W156-N799 HydrophobicContact CZ2-CB 4.42Å
157	H	98.8	Very high	98.7	Very high	35 Å²	35	45.7 Å²	45.7	16%	0.162	23%	0.232	C	C	.	.	S	Bend	trans	-99.7	161.5	173.9	-66.8	82.1	0	0	0	111.4	R153 T154 T159	R153-H157 PolarHBondContact O-CE1 3.23Å; R153-H157 VanDerWaalsContact O-CE1 3.29Å; R153-H157 PolarHBondContact O-ND1 3.42Å; R153-H157 VanDerWaalsContact O-ND1 3.12Å; T154-H157 WeakPolarHBondContact O-CB 3.41Å; T154-H157 PolarHBondContact O-N 2.83Å; H157-T159 PolarHBondContact O-N 3.43Å
158	A	98.3	Very high	98.7	Very high	79 Å²	79	49.8 Å²	49.8	65%	0.653	25%	0.25	S	S	*	.	S	Bend	trans	-69.6	-12.7	171.1	0	0	0	0	0	113.5	Y110 E160	Y110-A158 HydrophobicContact CD2-CB 4.39Å; Y110-A158 HydrophobicContact CE2-CB 3.92Å; A158-E160 PolarHBondContact O-N 2.95Å
159	T	98.1	Very high	98.7	Very high	10 Å²	10	46.5 Å²	46.5	6%	0.061	24%	0.236	C	C	.	.			trans	-64.9	113.4	179	-63.3	0	0	0	0	110.5	T154 H157 Q161	T154-T159 HydrophobicContact CG2-CG2 3.9Å; H157-T159 PolarHBondContact O-N 3.43Å; T159-Q161 PolarHBondContact O-N 3.03Å
160	E	98.6	Very high	98.7	Very high	102 Å²	102	50.8 Å²	50.8	48%	0.477	26%	0.257	S	S	.	.			trans	-73.6	124.6	172.7	-172.4	176.7	-175.3	0	0	109.9	A158 Y162 N187 P188	A158-E160 PolarHBondContact O-N 2.95Å; E160-Y162 HydrophobicContact CG-CD2 4.45Å; E160-Y162 HydrophobicContact CG-CE2 3.43Å; E160-Y162 VanDerWaalsContact CG-CE2 3.43Å; E160-Y162 WeakPolarHBondContact CG-OH 3.44Å; E160-Y162 VanDerWaalsContact OE1-CE2 3.27Å; E160-Y162 WeakPolarHBondContact OE1-CE2 3.33Å; E160-Y162 VanDerWaalsContact OE1-CZ 3.31Å; E160-Y162 PolarHBondContact OE1-OH 2.92Å; E160-N187 PolarHBondContact O-ND2 3.38Å; E160-P188 HydrophobicContact CB-CG 4.34Å; E160-P188 HydrophobicContact CG-CG 3.84Å
161	Q	98.9	Very high	98.7	Very high	11 Å²	11	56 Å²	56	5%	0.051	28%	0.281	C	S	.	.			trans	-153.2	146.6	-176.2	-167	171.9	-81.5	0	0	110.5	M151 T154 T159 L185 Y186 N187	M151-Q161 VanDerWaalsContact CE-O 3.24Å; M151-Q161 WeakPolarHBondContact CE-O 3.2Å; M151-Q161 HydrophobicContact SD-CB 4.13Å; M151-Q161 HydrophobicContact SD-CG 3.83Å; T154-Q161 HydrophobicContact CG2-CB 3.99Å; T154-Q161 PolarHBondContact OG1-NE2 2.88Å; T159-Q161 PolarHBondContact O-N 3.03Å; Q161-L185 HydrophobicContact CG-CD1 3.93Å; Q161-L185 HydrophobicContact CG-CG 4.04Å; Q161-Y186 CarbonylContact C-O 3.47Å; Q161-Y186 WeakPolarHBondContact CA-O 3.5Å; Q161-N187 WeakPolarHBondContact CB-ND2 3.35Å; Q161-N187 WeakPolarHBondContact CG-ND2 3.42Å; Q161-N187 PolarHBondContact OE1-ND2 3.31Å; Q161-N187 PolarHBondContact OE1-OD1 3.12Å
162	Y	98.9	Very high	98.7	Very high	106 Å²	106	56 Å²	56	42%	0.416	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145	-177.7	-57	-76.8	0	0	0	111.5	E160 L185 Y186 P188	E160-Y162 HydrophobicContact CG-CD2 4.45Å; E160-Y162 HydrophobicContact CG-CE2 3.43Å; E160-Y162 VanDerWaalsContact CG-CE2 3.43Å; E160-Y162 WeakPolarHBondContact CG-OH 3.44Å; E160-Y162 VanDerWaalsContact OE1-CE2 3.27Å; E160-Y162 WeakPolarHBondContact OE1-CE2 3.33Å; E160-Y162 VanDerWaalsContact OE1-CZ 3.31Å; E160-Y162 PolarHBondContact OE1-OH 2.92Å; Y162-L185 CarbonylContact O-C 3.58Å; Y162-L185 WeakPolarHBondContact O-CA 3.23Å; Y162-Y186 HydrophobicContact CD2-CD1 4.14Å; Y162-Y186 PolarHBondContact N-O 3.12Å; Y162-Y186 PolarHBondContact O-N 2.9Å; Y162-P188 HydrophobicContact CE2-CG 4.22Å
163	I	98.9	Very high	98.7	Very high	58 Å²	58	56 Å²	56	30%	0.297	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.2	155.8	-67.6	169.3	0	0	0	107.1	F147 K148 M151 A183 G184 L185	F147-I163 HydrophobicContact CB-CD1 4Å; F147-I163 HydrophobicContact CB-CG1 4.08Å; K148-I163 HydrophobicContact CG-CD1 3.92Å; M151-I163 HydrophobicContact CB-CD1 4.39Å; M151-I163 HydrophobicContact CG-CD1 3.54Å; M151-I163 HydrophobicContact CG-CG1 3.55Å; M151-I163 HydrophobicContact SD-CG1 4.34Å; I163-A183 HydrophobicContact CG2-CB 4.24Å; I163-G184 CarbonylContact C-O 3.53Å; I163-G184 WeakPolarHBondContact CA-O 3.34Å; I163-L185 HydrophobicContact CG1-CD1 3.89Å
164	I	98.9	Very high	98.7	Very high	19 Å²	19	58.1 Å²	58.1	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.5	179.7	60.2	167	0	0	0	111	I135 K168 I169 M172 A183 G184 Y186	I135-I164 HydrophobicContact CD1-CD1 4.16Å; I135-I164 HydrophobicContact CG1-CD1 4.39Å; I135-I164 HydrophobicContact CG2-CD1 4.47Å; I164-K168 HydrophobicContact CB-CB 4.23Å; I164-K168 HydrophobicContact CB-CG 4.28Å; I164-K168 HydrophobicContact CD1-CG 4.29Å; I164-K168 HydrophobicContact CG2-CG 4.4Å; I164-I169 HydrophobicContact CD1-CG1 3.59Å; I164-I169 HydrophobicContact CG1-CD1 4.4Å; I164-I169 HydrophobicContact CG1-CG1 3.83Å; I164-M172 HydrophobicContact CD1-SD 4.08Å; I164-A183 WeakPolarHBondContact O-CA 3.31Å; I164-G184 WeakPolarHBondContact CG1-O 3.25Å; I164-G184 PolarHBondContact N-O 3.13Å; I164-G184 PolarHBondContact O-N 3.43Å; I164-Y186 HydrophobicContact CD1-CG 4.28Å; I164-Y186 HydrophobicContact CG2-CD1 4.37Å
165	E	98.6	Very high	98.7	Very high	115 Å²	115	59.3 Å²	59.3	54%	0.537	30%	0.304	S	S	.	.			trans	-79.8	159.7	-178.9	-58.6	-59.5	161.3	0	0	112.1	E167 K168 I169	E165-E167 WeakPolarHBondContact CB-OE2 3.43Å; E165-E167 PolarHBondContact O-N 3.21Å; E165-E167 VanDerWaalsContact O-N 3.15Å; E165-K168 PolarHBondContact O-N 3.17Å; E165-I169 WeakPolarHBondContact O-CG1 3.4Å; E165-I169 PolarHBondContact O-N 2.89Å
166	P	98.8	Very high	98.7	Very high	29 Å²	29	58.3 Å²	58.3	19%	0.188	29%	0.29	C	S	.	.	H	α-helix	trans	-49.9	-38.1	179	-30.5	38.1	0	0	0	114.6	K168 I169 Q170 M178 V181 L182	P166-K168 VanDerWaalsContact C-N 3.3Å; P166-K168 PolarHBondContact O-N 2.86Å; P166-I169 PolarHBondContact O-N 3.43Å; P166-Q170 PolarHBondContact O-N 2.92Å; P166-M178 HydrophobicContact CB-CE 3.73Å; P166-M178 WeakPolarHBondContact O-CE 3.23Å; P166-V181 WeakPolarHBondContact CG-O 3.4Å; P166-L182 WeakPolarHBondContact CD-O 3.2Å; P166-L182 WeakPolarHBondContact CG-O 3.47Å
167	E	98.7	Very high	98.7	Very high	135 Å²	135	57.1 Å²	57.1	63%	0.631	29%	0.289	S	S	*	.	H	α-helix	trans	-62.1	-40.2	179.8	-60.9	73.1	-158.8	0	0	111.5	E165 Q170 E171	E165-E167 WeakPolarHBondContact CB-OE2 3.43Å; E165-E167 PolarHBondContact O-N 3.21Å; E165-E167 VanDerWaalsContact O-N 3.15Å; E167-Q170 PolarHBondContact O-N 2.78Å; E167-E171 PolarHBondContact O-N 3.47Å
168	K	98.8	Very high	98.7	Very high	86 Å²	86	57.2 Å²	57.2	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-71	-36.5	178.8	-171.5	60.4	-179.1	176.8	0	111.3	I164 E165 P166 E171 M172	I164-K168 HydrophobicContact CB-CB 4.23Å; I164-K168 HydrophobicContact CB-CG 4.28Å; I164-K168 HydrophobicContact CD1-CG 4.29Å; I164-K168 HydrophobicContact CG2-CG 4.4Å; E165-K168 PolarHBondContact O-N 3.17Å; P166-K168 VanDerWaalsContact C-N 3.3Å; P166-K168 PolarHBondContact O-N 2.86Å; K168-E171 VanDerWaalsContact CD-OE2 3.31Å; K168-E171 WeakPolarHBondContact CD-OE2 3.33Å; K168-E171 VanDerWaalsContact NZ-CD 3.25Å; K168-E171 IonicContact NZ-OE1 2.7Å; K168-E171 PolarHBondContact NZ-OE1 2.94Å; K168-E171 VanDerWaalsContact NZ-OE1 3.1Å; K168-E171 IonicContact NZ-OE2 3.53Å; K168-E171 PolarHBondContact NZ-OE2 3.05Å; K168-E171 PolarHBondContact O-N 2.65Å; K168-M172 HydrophobicContact CD-SD 4.36Å; K168-M172 HydrophobicContact CG-SD 3.95Å; K168-M172 WeakPolarHBondContact O-CB 3.16Å; K168-M172 VanDerWaalsContact O-CG 3.22Å; K168-M172 WeakPolarHBondContact O-CG 3.23Å; K168-M172 PolarHBondContact O-N 3.25Å; K168-M172 VanDerWaalsContact O-N 3.07Å
169	I	98.9	Very high	98.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-44.8	174.9	-58.8	166.6	0	0	0	110	L137 I164 E165 P166 E171 M172 F173 L176 M178 V181	L137-I169 HydrophobicContact CD2-CD1 4.4Å; L137-I169 HydrophobicContact CD2-CG2 4.06Å; I164-I169 HydrophobicContact CD1-CG1 3.59Å; I164-I169 HydrophobicContact CG1-CD1 4.4Å; I164-I169 HydrophobicContact CG1-CG1 3.83Å; E165-I169 WeakPolarHBondContact O-CG1 3.4Å; E165-I169 PolarHBondContact O-N 2.89Å; P166-I169 PolarHBondContact O-N 3.43Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 2.92Å; I169-M172 PolarHBondContact O-N 3.28Å; I169-M172 VanDerWaalsContact O-N 3.16Å; I169-F173 PolarHBondContact O-N 3.35Å; I169-L176 HydrophobicContact CG2-CD2 3.61Å; I169-M178 HydrophobicContact CB-CE 4.09Å; I169-M178 HydrophobicContact CG2-CE 4.22Å; I169-M178 HydrophobicContact CG2-SD 4.32Å; I169-V181 HydrophobicContact CD1-CG1 3.6Å
170	Q	98.7	Very high	98.7	Very high	112 Å²	112	67.5 Å²	67.5	52%	0.523	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-39.2	177.3	-170.9	-176.7	29.1	0	0	112.2	P166 E167 M172 F173 P174 M178	P166-Q170 PolarHBondContact O-N 2.92Å; E167-Q170 PolarHBondContact O-N 2.78Å; Q170-M172 VanDerWaalsContact C-N 3.31Å; Q170-M172 PolarHBondContact O-N 3.18Å; Q170-F173 CarbonylContact O-C 3.56Å; Q170-P174 VanDerWaalsContact O-CA 3.27Å; Q170-P174 WeakPolarHBondContact O-CA 3.18Å; Q170-M178 HydrophobicContact CB-CE 4.32Å; Q170-M178 HydrophobicContact CB-CG 4.1Å; Q170-M178 HydrophobicContact CB-SD 4.15Å; Q170-M178 HydrophobicContact CG-CG 4.12Å
171	E	98.6	Very high	98.7	Very high	117 Å²	117	63 Å²	63	55%	0.547	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-42.2	173.8	-172.9	-160.6	146.3	0	0	111.6	E167 K168 I169	E167-E171 PolarHBondContact O-N 3.47Å; K168-E171 VanDerWaalsContact CD-OE2 3.31Å; K168-E171 WeakPolarHBondContact CD-OE2 3.33Å; K168-E171 VanDerWaalsContact NZ-CD 3.25Å; K168-E171 IonicContact NZ-OE1 2.7Å; K168-E171 PolarHBondContact NZ-OE1 2.94Å; K168-E171 VanDerWaalsContact NZ-OE1 3.1Å; K168-E171 IonicContact NZ-OE2 3.53Å; K168-E171 PolarHBondContact NZ-OE2 3.05Å; K168-E171 PolarHBondContact O-N 2.65Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 2.92Å
172	M	98.8	Very high	98.7	Very high	36 Å²	36	66.1 Å²	66.1	18%	0.177	32%	0.322	C	S	.	.	H	α-helix	trans	-82.6	-35	-174.2	-69.1	175.3	70.4	0	0	113.5	I135 I164 K168 I169 Q170 Y186 P289	I135-M172 HydrophobicContact CD1-CB 4.15Å; I135-M172 HydrophobicContact CD1-CE 3.94Å; I135-M172 HydrophobicContact CD1-SD 4.22Å; I135-M172 HydrophobicContact CG1-CE 4.45Å; I164-M172 HydrophobicContact CD1-SD 4.08Å; K168-M172 HydrophobicContact CD-SD 4.36Å; K168-M172 HydrophobicContact CG-SD 3.95Å; K168-M172 WeakPolarHBondContact O-CB 3.16Å; K168-M172 VanDerWaalsContact O-CG 3.22Å; K168-M172 WeakPolarHBondContact O-CG 3.23Å; K168-M172 PolarHBondContact O-N 3.25Å; K168-M172 VanDerWaalsContact O-N 3.07Å; I169-M172 PolarHBondContact O-N 3.28Å; I169-M172 VanDerWaalsContact O-N 3.16Å; Q170-M172 VanDerWaalsContact C-N 3.31Å; Q170-M172 PolarHBondContact O-N 3.18Å; M172-Y186 HydrophobicContact CE-CD1 4.4Å; M172-Y186 HydrophobicContact CE-CD2 3.72Å; M172-Y186 HydrophobicContact CE-CE1 3.98Å; M172-Y186 HydrophobicContact CE-CE2 3.24Å; M172-Y186 HydrophobicContact CE-CG 4.28Å; M172-P289 HydrophobicContact CB-CG 4.23Å; M172-P289 WeakPolarHBondContact O-CD 3.23Å
173	F	98.8	Very high	98.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.304	C	S	.	.			trans	-129.7	79.7	178.7	-157.2	-66.6	0	0	0	109.4	I169 Q170 L175 L176 L288 P289 L291 L300 V356	I169-F173 PolarHBondContact O-N 3.35Å; Q170-F173 CarbonylContact O-C 3.56Å; F173-L175 HydrophobicContact CD1-CB 4.27Å; F173-L175 HydrophobicContact CE1-CB 3.94Å; F173-L175 PolarHBondContact O-N 2.95Å; F173-L175 VanDerWaalsContact O-N 3.13Å; F173-L176 HydrophobicContact CD1-CB 3.76Å; F173-L176 HydrophobicContact CE1-CB 4.45Å; F173-L176 HydrophobicContact CG-CB 4.46Å; F173-L176 WeakPolarHBondContact O-CB 3.47Å; F173-L176 PolarHBondContact O-N 2.86Å; F173-L288 HydrophobicContact CB-CD2 4.44Å; F173-L288 HydrophobicContact CD1-CD2 4.08Å; F173-L288 HydrophobicContact CD2-CB 3.92Å; F173-L288 HydrophobicContact CD2-CD2 3.8Å; F173-L288 HydrophobicContact CD2-CG 4.32Å; F173-L288 HydrophobicContact CE1-CD1 4.31Å; F173-L288 HydrophobicContact CE1-CD2 4.29Å; F173-L288 HydrophobicContact CE2-CB 3.69Å; F173-L288 HydrophobicContact CE2-CD1 3.96Å; F173-L288 HydrophobicContact CE2-CD2 4Å; F173-L288 HydrophobicContact CE2-CG 4.1Å; F173-L288 HydrophobicContact CG-CD2 3.85Å; F173-L288 HydrophobicContact CZ-CB 4.41Å; F173-L288 HydrophobicContact CZ-CD1 3.81Å; F173-L288 HydrophobicContact CZ-CD2 4.25Å; F173-L288 HydrophobicContact CZ-CG 4.39Å; F173-P289 HydrophobicContact CB-CG 4.35Å; F173-P289 HydrophobicContact CD2-CG 4.1Å; F173-L291 HydrophobicContact CD1-CD1 4.02Å; F173-L291 HydrophobicContact CD2-CD1 3.45Å; F173-L291 VanDerWaalsContact CD2-CD1 3.45Å; F173-L291 HydrophobicContact CD2-CD2 3.83Å; F173-L291 HydrophobicContact CD2-CG 3.5Å; F173-L291 HydrophobicContact CE1-CD1 3.88Å; F173-L291 HydrophobicContact CE2-CD1 3.3Å; F173-L291 HydrophobicContact CE2-CD2 4.31Å; F173-L291 HydrophobicContact CE2-CG 3.47Å; F173-L291 VanDerWaalsContact CE2-CG 3.47Å; F173-L291 HydrophobicContact CG-CD1 3.82Å; F173-L291 HydrophobicContact CG-CD2 4.36Å; F173-L291 HydrophobicContact CG-CG 4.27Å; F173-L291 HydrophobicContact CZ-CD1 3.53Å; F173-L291 HydrophobicContact CZ-CG 4.2Å; F173-L300 HydrophobicContact CE2-CD2 3.94Å; F173-L300 HydrophobicContact CZ-CD2 3.67Å; F173-V356 HydrophobicContact CE1-CG1 4.32Å; F173-V356 HydrophobicContact CE1-CG2 4.22Å; F173-V356 HydrophobicContact CZ-CG2 4.49Å
174	P	98.7	Very high	98.7	Very high	67 Å²	67	58.5 Å²	58.5	44%	0.435	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.8	-171.9	26.9	-36.5	0	0	0	114.6	Q170 L176 L284	Q170-P174 VanDerWaalsContact O-CA 3.27Å; Q170-P174 WeakPolarHBondContact O-CA 3.18Å; P174-L176 VanDerWaalsContact C-N 3.34Å; P174-L284 HydrophobicContact CG-CD2 3.7Å
175	L	98.8	Very high	98.7	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.147	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.4	179.6	-52.4	-176.9	0	0	0	113.1	F173 E280 V281 L284 L288 V358	F173-L175 HydrophobicContact CD1-CB 4.27Å; F173-L175 HydrophobicContact CE1-CB 3.94Å; F173-L175 PolarHBondContact O-N 2.95Å; F173-L175 VanDerWaalsContact O-N 3.13Å; L175-E280 HydrophobicContact CD1-CB 4.26Å; L175-E280 HydrophobicContact CD2-CB 3.82Å; L175-V281 HydrophobicContact CD1-CG2 3.58Å; L175-L284 HydrophobicContact CD1-CD1 4.23Å; L175-L288 HydrophobicContact CD1-CD1 4.18Å; L175-V358 HydrophobicContact CD1-CG2 4.26Å
176	L	98.6	Very high	98.7	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.073	27%	0.267	C	S	.	.	S	Bend	trans	-81.8	140.9	-177.3	-164.2	66.2	0	0	0	111.3	L137 I169 F173 P174 M178 V181 L291 M355 V356	L137-L176 HydrophobicContact CD1-CD1 4.02Å; L137-L176 HydrophobicContact CD1-CD2 3.87Å; L137-L176 HydrophobicContact CD2-CD2 3.92Å; I169-L176 HydrophobicContact CG2-CD2 3.61Å; F173-L176 HydrophobicContact CD1-CB 3.76Å; F173-L176 HydrophobicContact CE1-CB 4.45Å; F173-L176 HydrophobicContact CG-CB 4.46Å; F173-L176 WeakPolarHBondContact O-CB 3.47Å; F173-L176 PolarHBondContact O-N 2.86Å; P174-L176 VanDerWaalsContact C-N 3.34Å; L176-M178 HydrophobicContact CB-SD 4.03Å; L176-M178 HydrophobicContact CD2-SD 3.82Å; L176-M178 HydrophobicContact CG-SD 4.11Å; L176-M178 PolarHBondContact O-N 2.83Å; L176-V181 HydrophobicContact CD2-CG2 4.15Å; L176-L291 HydrophobicContact CD1-CD1 3.74Å; L176-M355 HydrophobicContact CD1-CG 3.59Å; L176-M355 HydrophobicContact CD1-SD 3.78Å; L176-M355 HydrophobicContact CG-SD 4.21Å; L176-V356 HydrophobicContact CD1-CG2 3.99Å
177	N	98.8	Very high	98.7	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.219	26%	0.259	C	S	.	.			trans	-77.4	104.5	168.5	-177	-10.2	0	0	0	110.2	N179 E354 M355 P357	N177-N179 VanDerWaalsContact C-N 3.28Å; N177-N179 PolarHBondContact O-N 2.91Å; N177-N179 VanDerWaalsContact OD1-CB 3.26Å; N177-N179 WeakPolarHBondContact OD1-CB 3.49Å; N177-N179 PolarHBondContact OD1-N 2.8Å; N177-N179 VanDerWaalsContact OD1-N 3.15Å; N177-N179 PolarHBondContact OD1-ND2 3.38Å; N177-E354 WeakPolarHBondContact CB-O 3.41Å; N177-E354 PolarHBondContact ND2-O 2.86Å; N177-M355 VanDerWaalsContact CB-O 3.24Å; N177-M355 WeakPolarHBondContact CB-O 3.37Å; N177-M355 PolarHBondContact N-O 3.42Å; N177-P357 HydrophobicContact CB-CG 4.22Å
178	M	98.7	Very high	98.7	Very high	37 Å²	37	47.5 Å²	47.5	18%	0.182	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-79.1	-3.3	-174.5	-61.1	-54.2	-60	0	0	114.6	P166 I169 Q170 L176 K180 V181	P166-M178 HydrophobicContact CB-CE 3.73Å; P166-M178 WeakPolarHBondContact O-CE 3.23Å; I169-M178 HydrophobicContact CB-CE 4.09Å; I169-M178 HydrophobicContact CG2-CE 4.22Å; I169-M178 HydrophobicContact CG2-SD 4.32Å; Q170-M178 HydrophobicContact CB-CE 4.32Å; Q170-M178 HydrophobicContact CB-CG 4.1Å; Q170-M178 HydrophobicContact CB-SD 4.15Å; Q170-M178 HydrophobicContact CG-CG 4.12Å; L176-M178 HydrophobicContact CB-SD 4.03Å; L176-M178 HydrophobicContact CD2-SD 3.82Å; L176-M178 HydrophobicContact CG-SD 4.11Å; L176-M178 PolarHBondContact O-N 2.83Å; M178-K180 PolarHBondContact O-N 2.88Å; M178-V181 HydrophobicContact CE-CB 3.81Å; M178-V181 HydrophobicContact CE-CG1 3.86Å; M178-V181 HydrophobicContact CE-CG2 4.24Å; M178-V181 PolarHBondContact O-N 3.4Å; M178-V181 HydrophobicContact SD-CG2 4.33Å
179	N	98.3	Very high	98.7	Very high	145 Å²	145	44.8 Å²	44.8	78%	0.775	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-56	-30.9	-168	-74.2	-10.1	0	0	0	115.3	N177	N177-N179 VanDerWaalsContact C-N 3.28Å; N177-N179 PolarHBondContact O-N 2.91Å; N177-N179 VanDerWaalsContact OD1-CB 3.26Å; N177-N179 WeakPolarHBondContact OD1-CB 3.49Å; N177-N179 PolarHBondContact OD1-N 2.8Å; N177-N179 VanDerWaalsContact OD1-N 3.15Å; N177-N179 PolarHBondContact OD1-ND2 3.38Å
180	K	98.2	Very high	98.7	Very high	159 Å²	159	44.8 Å²	44.8	69%	0.691	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-120.3	0.7	-178.3	-66.5	-174.9	178.7	178.7	0	113.5	T139 M178 L182	T139-K180 VanDerWaalsContact CA-O 3.26Å; T139-K180 WeakPolarHBondContact CA-O 3.35Å; T139-K180 WeakPolarHBondContact CB-O 3.26Å; T139-K180 HydrophobicContact CG2-CB 4.39Å; M178-K180 PolarHBondContact O-N 2.88Å; K180-L182 PolarHBondContact O-N 2.86Å
181	V	98.8	Very high	98.7	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	21%	0.207	C	C	.	.			trans	-74.4	123.1	-176	179.1	0	0	0	0	108.8	L137 P166 I169 L176 M178 M355	L137-V181 HydrophobicContact CD2-CG1 4.35Å; P166-V181 WeakPolarHBondContact CG-O 3.4Å; I169-V181 HydrophobicContact CD1-CG1 3.6Å; L176-V181 HydrophobicContact CD2-CG2 4.15Å; M178-V181 HydrophobicContact CE-CB 3.81Å; M178-V181 HydrophobicContact CE-CG1 3.86Å; M178-V181 HydrophobicContact CE-CG2 4.24Å; M178-V181 PolarHBondContact O-N 3.4Å; M178-V181 HydrophobicContact SD-CG2 4.33Å; V181-M355 HydrophobicContact CG2-SD 4.42Å
182	L	98.9	Very high	98.7	Very high	75 Å²	75	34.5 Å²	34.5	39%	0.393	18%	0.184	S	C	.	.			trans	-102	-39.2	-179.1	-58.5	-179.6	0	0	0	112.1	A138 T140 P141 V144 P166 K180	A138-L182 PolarHBondContact O-N 2.86Å; T140-L182 VanDerWaalsContact C-CD1 3.43Å; P141-L182 HydrophobicContact CG-CD1 4.3Å; V144-L182 HydrophobicContact CG2-CB 3.89Å; V144-L182 HydrophobicContact CG2-CD1 4.28Å; P166-L182 WeakPolarHBondContact CD-O 3.2Å; P166-L182 WeakPolarHBondContact CG-O 3.47Å; K180-L182 PolarHBondContact O-N 2.86Å
183	A	98.9	Very high	98.7	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.033	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	167.2	178.2	0	0	0	0	0	110.6	A138 V144 I163 I164	A138-A183 HydrophobicContact CB-CB 4.39Å; A138-A183 PolarHBondContact N-O 2.68Å; A138-A183 PolarHBondContact O-N 2.92Å; V144-A183 HydrophobicContact CG2-CB 4.22Å; I163-A183 HydrophobicContact CG2-CB 4.24Å; I164-A183 WeakPolarHBondContact O-CA 3.31Å
184	G	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.8	173.9	0	0	0	0	0	110.9	R136 I163 I164	R136-G184 CarbonylContact O-C 3.57Å; R136-G184 VanDerWaalsContact O-CA 3.26Å; R136-G184 WeakPolarHBondContact O-CA 3.31Å; I163-G184 CarbonylContact C-O 3.53Å; I163-G184 WeakPolarHBondContact CA-O 3.34Å; I164-G184 WeakPolarHBondContact CG1-O 3.25Å; I164-G184 PolarHBondContact N-O 3.13Å; I164-G184 PolarHBondContact O-N 3.43Å
185	L	98.9	Very high	98.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.6	166.3	-166.1	68.1	0	0	0	108.2	F99 I135 R136 F147 Q150 M151 Q161 Y162 I163	F99-L185 HydrophobicContact CD2-CD2 3.81Å; F99-L185 HydrophobicContact CE2-CD2 3.62Å; I135-L185 WeakPolarHBondContact CA-O 3.45Å; R136-L185 HydrophobicContact CB-CB 4.26Å; R136-L185 PolarHBondContact N-O 3.45Å; R136-L185 PolarHBondContact O-N 3.25Å; F147-L185 HydrophobicContact CB-CD1 4.24Å; F147-L185 HydrophobicContact CD1-CB 4.02Å; F147-L185 HydrophobicContact CD1-CD2 4.16Å; F147-L185 HydrophobicContact CD2-CB 3.79Å; F147-L185 HydrophobicContact CE1-CB 4.12Å; F147-L185 HydrophobicContact CE2-CB 3.87Å; F147-L185 HydrophobicContact CG-CB 3.87Å; F147-L185 HydrophobicContact CG-CD1 4.44Å; F147-L185 HydrophobicContact CG-CD2 4.48Å; F147-L185 HydrophobicContact CZ-CB 4.05Å; Q150-L185 HydrophobicContact CB-CD2 4.21Å; M151-L185 HydrophobicContact CG-CD1 3.97Å; M151-L185 HydrophobicContact SD-CD1 3.7Å; Q161-L185 HydrophobicContact CG-CD1 3.93Å; Q161-L185 HydrophobicContact CG-CG 4.04Å; Y162-L185 CarbonylContact O-C 3.58Å; Y162-L185 WeakPolarHBondContact O-CA 3.23Å; I163-L185 HydrophobicContact CG1-CD1 3.89Å
186	Y	98.9	Very high	98.7	Very high	42 Å²	42	36.7 Å²	36.7	17%	0.165	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.6	-168.7	172.3	-124	0	0	0	112.4	S134 I135 Q161 Y162 I164 M172 P188	S134-Y186 WeakPolarHBondContact O-CA 3.45Å; S134-Y186 WeakPolarHBondContact O-CD2 3.4Å; I135-Y186 HydrophobicContact CG1-CD2 3.73Å; I135-Y186 HydrophobicContact CG1-CG 4.46Å; Q161-Y186 CarbonylContact C-O 3.47Å; Q161-Y186 WeakPolarHBondContact CA-O 3.5Å; Y162-Y186 HydrophobicContact CD2-CD1 4.14Å; Y162-Y186 PolarHBondContact N-O 3.12Å; Y162-Y186 PolarHBondContact O-N 2.9Å; I164-Y186 HydrophobicContact CD1-CG 4.28Å; I164-Y186 HydrophobicContact CG2-CD1 4.37Å; M172-Y186 HydrophobicContact CE-CD1 4.4Å; M172-Y186 HydrophobicContact CE-CD2 3.72Å; M172-Y186 HydrophobicContact CE-CE1 3.98Å; M172-Y186 HydrophobicContact CE-CE2 3.24Å; M172-Y186 HydrophobicContact CE-CG 4.28Å; Y186-P188 HydrophobicContact CE1-CB 3.88Å; Y186-P188 HydrophobicContact CE1-CG 4.34Å; Y186-P188 WeakPolarHBondContact OH-CA 3.44Å; Y186-P188 WeakPolarHBondContact OH-CB 3.35Å
187	N	98.9	Very high	98.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.9	168.6	-65.4	97	0	0	0	109.5	F99 G133 S134 E160 Q161 D190	F99-N187 WeakPolarHBondContact CB-OD1 3.37Å; G133-N187 CarbonylContact C-O 3.49Å; G133-N187 WeakPolarHBondContact CA-O 3.44Å; S134-N187 PolarHBondContact N-O 2.91Å; S134-N187 PolarHBondContact O-N 2.67Å; E160-N187 PolarHBondContact O-ND2 3.38Å; Q161-N187 WeakPolarHBondContact CB-ND2 3.35Å; Q161-N187 WeakPolarHBondContact CG-ND2 3.42Å; Q161-N187 PolarHBondContact OE1-ND2 3.31Å; Q161-N187 PolarHBondContact OE1-OD1 3.12Å; N187-D190 VanDerWaalsContact CB-OD2 3.24Å; N187-D190 WeakPolarHBondContact CB-OD2 3.43Å
188	P	98.8	Very high	98.7	Very high	24 Å²	24	35.6 Å²	35.6	16%	0.156	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	158	175.1	31.5	-34.6	0	0	0	112.1	E160 Y162 Y186 D190	E160-P188 HydrophobicContact CB-CG 4.34Å; E160-P188 HydrophobicContact CG-CG 3.84Å; Y162-P188 HydrophobicContact CE2-CG 4.22Å; Y186-P188 HydrophobicContact CE1-CB 3.88Å; Y186-P188 HydrophobicContact CE1-CG 4.34Å; Y186-P188 WeakPolarHBondContact OH-CA 3.44Å; Y186-P188 WeakPolarHBondContact OH-CB 3.35Å; P188-D190 PolarHBondContact O-N 3.38Å
189	G	98.1	Very high	98.7	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	9.6	169.7	0	0	0	0	0	115.3	Q131	Q131-G189 PolarHBondContact NE2-O 2.95Å
190	D	98.8	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.			trans	-112.1	-175.5	169.7	72.5	15	0	0	0	110.9	T96 T97 Y98 I113 Q131 G133 S134 N187 P188	T96-D190 WeakPolarHBondContact O-CB 3.24Å; T97-D190 WeakPolarHBondContact CA-OD2 3.14Å; T97-D190 WeakPolarHBondContact CB-OD2 3.42Å; T97-D190 PolarHBondContact OG1-OD2 3.05Å; Y98-D190 HydrophobicContact CD2-CB 3.6Å; Y98-D190 HydrophobicContact CE2-CB 3.98Å; Y98-D190 HydrophobicContact CG-CB 4.41Å; Y98-D190 PolarHBondContact N-OD2 3.46Å; I113-D190 HydrophobicContact CD1-CB 3.79Å; Q131-D190 CarbonylContact C-O 3.28Å; Q131-D190 WeakPolarHBondContact CA-O 3.18Å; G133-D190 WeakPolarHBondContact CA-O 3.28Å; G133-D190 VanDerWaalsContact CA-OD1 3.32Å; G133-D190 WeakPolarHBondContact CA-OD1 3.27Å; G133-D190 PolarHBondContact N-O 3.3Å; S134-D190 WeakPolarHBondContact CB-OD1 3.49Å; S134-D190 PolarHBondContact N-OD1 2.82Å; S134-D190 VanDerWaalsContact OG-CG 3.32Å; S134-D190 PolarHBondContact OG-OD1 3.39Å; N187-D190 VanDerWaalsContact CB-OD2 3.24Å; N187-D190 WeakPolarHBondContact CB-OD2 3.43Å; P188-D190 PolarHBondContact O-N 3.38Å
191	G	98.8	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-111.2	179.7	0	0	0	0	0	112.9	T96 H130	T96-G191 CarbonylContact C-O 3.58Å; T96-G191 PolarHBondContact N-O 2.77Å; T96-G191 CarbonylContact O-C 3.05Å; T96-G191 PolarHBondContact O-N 2.99Å; T96-G191 VanDerWaalsContact O-O 3.09Å; T96-G191 PolarHBondContact OG1-O 3.43Å; H130-G191 WeakPolarHBondContact O-CA 3.42Å
192	H	98.9	Very high	98.8	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.06	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.4	-179.6	69.5	95.2	0	0	0	112.5	G94 F129 H130 E287 R301	G94-H192 CarbonylContact O-C 3.55Å; G94-H192 WeakPolarHBondContact O-CA 3.44Å; G94-H192 WeakPolarHBondContact O-CB 3.11Å; F129-H192 WeakPolarHBondContact CD2-O 3.31Å; H130-H192 VanDerWaalsContact CB-NE2 3.31Å; H130-H192 WeakPolarHBondContact CB-NE2 3.44Å; H130-H192 AromaticContact CG-CE1 3.6Å; H130-H192 AromaticContact CG-NE2 3.66Å; H130-H192 PolarHBondContact N-O 3.27Å; H130-H192 AromaticContact ND1-CE1 3.91Å; H130-H192 AromaticContact ND1-NE2 3.86Å; H130-H192 PolarHBondContact O-N 2.98Å; H192-E287 IonicContact CD2-OE1 3.55Å; H192-E287 IonicContact CE1-OE1 3.83Å; H192-E287 IonicContact NE2-OE1 3.93Å; H192-E287 PolarHBondContact NE2-OE1 3Å; H192-R301 VanDerWaalsContact CG-CD 3.48Å
193	I	98.8	Very high	98.8	Very high	3 Å²	3	17 Å²	17	2%	0.015	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148	-176.7	-161.9	165.3	0	0	0	110.7	G94 T96 Y116 V127 G128 F129 P195 L198 I401	G94-I193 WeakPolarHBondContact CA-O 3.44Å; G94-I193 PolarHBondContact O-N 2.92Å; T96-I193 HydrophobicContact CG2-CB 4.47Å; T96-I193 HydrophobicContact CG2-CG2 3.66Å; Y116-I193 HydrophobicContact CD2-CD1 3.89Å; Y116-I193 HydrophobicContact CG-CD1 3.93Å; V127-I193 HydrophobicContact CB-CD1 4.07Å; V127-I193 HydrophobicContact CB-CG1 4.39Å; V127-I193 HydrophobicContact CG2-CD1 3.97Å; V127-I193 HydrophobicContact CG2-CG1 4.48Å; V127-I193 VanDerWaalsContact O-CG1 3.29Å; V127-I193 WeakPolarHBondContact O-CG1 3.36Å; G128-I193 WeakPolarHBondContact O-CA 3.23Å; F129-I193 HydrophobicContact CB-CD1 3.85Å; F129-I193 HydrophobicContact CB-CG1 3.95Å; F129-I193 HydrophobicContact CD2-CB 3.97Å; F129-I193 HydrophobicContact CD2-CD1 4.24Å; F129-I193 HydrophobicContact CD2-CG1 4.27Å; F129-I193 HydrophobicContact CG-CD1 4.06Å; F129-I193 HydrophobicContact CG-CG1 4.36Å; I193-P195 WeakPolarHBondContact O-CD 3.49Å; I193-L198 HydrophobicContact CD1-CB 4.2Å; I193-L198 HydrophobicContact CD1-CD1 4.15Å; I193-L198 HydrophobicContact CD1-CD2 4.42Å; I193-L198 HydrophobicContact CD1-CG 4.48Å; I193-L198 HydrophobicContact CG1-CB 4.41Å; I193-L198 HydrophobicContact CG2-CD2 4.13Å; I193-I401 HydrophobicContact CG2-CG2 3.58Å
194	D	98.6	Very high	98.8	Very high	63 Å²	63	18 Å²	18	34%	0.337	10%	0.099	S	C	.	.			trans	-69.8	113	170.3	173.1	13.8	0	0	0	110.4	G128 Y196 S197 L198	G128-D194 PolarHBondContact O-N 3.44Å; D194-Y196 VanDerWaalsContact C-N 3.25Å; D194-Y196 PolarHBondContact O-N 3.3Å; D194-Y196 PolarHBondContact OD1-N 2.7Å; D194-S197 PolarHBondContact O-N 3.09Å; D194-S197 WeakPolarHBondContact OD2-CB 3.35Å; D194-S197 PolarHBondContact OD2-N 2.68Å; D194-S197 PolarHBondContact OD2-OG 2.91Å; D194-L198 VanDerWaalsContact O-CB 3.31Å; D194-L198 WeakPolarHBondContact O-CB 3.05Å; D194-L198 PolarHBondContact O-N 3.11Å
195	P	98.4	Very high	98.8	Very high	9 Å²	9	18 Å²	18	6%	0.058	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-33	-178.9	-24.7	36.6	0	0	0	114.2	T89 A92 I193 T199 I401	T89-P195 HydrophobicContact CG2-CB 4.07Å; T89-P195 WeakPolarHBondContact O-CB 3.29Å; A92-P195 HydrophobicContact CB-CB 4.42Å; A92-P195 HydrophobicContact CB-CG 3.85Å; A92-P195 WeakPolarHBondContact O-CG 3.35Å; I193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-T199 WeakPolarHBondContact O-CB 3.47Å; P195-T199 PolarHBondContact O-N 2.7Å; P195-T199 VanDerWaalsContact O-N 3.16Å; P195-T199 PolarHBondContact O-OG1 3.33Å; P195-I401 HydrophobicContact CB-CD1 3.75Å; P195-I401 HydrophobicContact CB-CG1 4.42Å; P195-I401 HydrophobicContact CG-CD1 4.14Å; P195-I401 HydrophobicContact CG-CG1 4.28Å
196	Y	98.7	Very high	98.8	Very high	103 Å²	103	17.9 Å²	17.9	40%	0.404	10%	0.099	S	C	.	.	H	α-helix	trans	-69.6	-55.2	-179.3	-178.8	-90.7	0	0	0	109.8	T85 D194 L198 T199 M200	T85-Y196 HydrophobicContact CG2-CD2 4Å; D194-Y196 VanDerWaalsContact C-N 3.25Å; D194-Y196 PolarHBondContact O-N 3.3Å; D194-Y196 PolarHBondContact OD1-N 2.7Å; Y196-L198 VanDerWaalsContact C-N 3.33Å; Y196-L198 PolarHBondContact O-N 2.89Å; Y196-T199 PolarHBondContact O-N 3.14Å; Y196-T199 VanDerWaalsContact O-N 3.08Å; Y196-M200 HydrophobicContact CD1-CG 4.03Å; Y196-M200 HydrophobicContact CE1-CG 3.62Å; Y196-M200 HydrophobicContact CE2-CE 4.44Å; Y196-M200 HydrophobicContact CE2-CG 4.49Å; Y196-M200 WeakPolarHBondContact O-CG 3.42Å; Y196-M200 PolarHBondContact O-N 3.07Å
197	S	98.8	Very high	98.8	Very high	31 Å²	31	19.7 Å²	19.7	22%	0.217	11%	0.105	C	C	.	.	H	α-helix	trans	-60.8	-40	179.5	-62.5	0	0	0	0	112.3	D194 T199 M200 A201	D194-S197 PolarHBondContact O-N 3.09Å; D194-S197 WeakPolarHBondContact OD2-CB 3.35Å; D194-S197 PolarHBondContact OD2-N 2.68Å; D194-S197 PolarHBondContact OD2-OG 2.91Å; S197-T199 VanDerWaalsContact C-N 3.35Å; S197-T199 PolarHBondContact O-N 3.13Å; S197-M200 PolarHBondContact O-N 3.04Å; S197-A201 WeakPolarHBondContact O-CB 3.39Å; S197-A201 PolarHBondContact O-N 2.86Å
198	L	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-54.5	-50.1	171.5	169.8	60.7	0	0	0	111.8	Y116 L119 I193 D194 Y196 M200 A201 L202 I401	Y116-L198 HydrophobicContact CD1-CD1 3.54Å; Y116-L198 HydrophobicContact CE1-CD1 3.58Å; Y116-L198 HydrophobicContact CE1-CD2 4.1Å; Y116-L198 HydrophobicContact CE1-CG 4.47Å; Y116-L198 HydrophobicContact CE2-CD2 4.05Å; Y116-L198 HydrophobicContact CG-CD1 4.13Å; L119-L198 HydrophobicContact CD1-CD1 3.47Å; L119-L198 VanDerWaalsContact CD1-CD1 3.47Å; I193-L198 HydrophobicContact CD1-CB 4.2Å; I193-L198 HydrophobicContact CD1-CD1 4.15Å; I193-L198 HydrophobicContact CD1-CD2 4.42Å; I193-L198 HydrophobicContact CD1-CG 4.48Å; I193-L198 HydrophobicContact CG1-CB 4.41Å; I193-L198 HydrophobicContact CG2-CD2 4.13Å; D194-L198 VanDerWaalsContact O-CB 3.31Å; D194-L198 WeakPolarHBondContact O-CB 3.05Å; D194-L198 PolarHBondContact O-N 3.11Å; Y196-L198 VanDerWaalsContact C-N 3.33Å; Y196-L198 PolarHBondContact O-N 2.89Å; L198-M200 VanDerWaalsContact C-N 3.34Å; L198-M200 PolarHBondContact O-N 3.31Å; L198-A201 PolarHBondContact O-N 3.33Å; L198-L202 HydrophobicContact CD1-CD1 3.87Å; L198-L202 HydrophobicContact CD1-CG 4.22Å; L198-L202 HydrophobicContact CG-CD1 4.14Å; L198-L202 WeakPolarHBondContact O-CG 3.46Å; L198-L202 PolarHBondContact O-N 3.04Å; L198-I401 HydrophobicContact CD2-CG2 4.11Å
199	T	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.9	-38	-177.1	-54.8	0	0	0	0	111.2	C59 V62 T85 T89 P195 Y196 S197 A203	C59-T199 WeakPolarHBondContact CB-OG1 3.38Å; V62-T199 HydrophobicContact CB-CG2 4.16Å; V62-T199 HydrophobicContact CG1-CG2 4.43Å; V62-T199 HydrophobicContact CG2-CG2 3.88Å; T85-T199 HydrophobicContact CG2-CG2 3.62Å; T89-T199 WeakPolarHBondContact CG2-OG1 3.29Å; P195-T199 WeakPolarHBondContact O-CB 3.47Å; P195-T199 PolarHBondContact O-N 2.7Å; P195-T199 VanDerWaalsContact O-N 3.16Å; P195-T199 PolarHBondContact O-OG1 3.33Å; Y196-T199 PolarHBondContact O-N 3.14Å; Y196-T199 VanDerWaalsContact O-N 3.08Å; S197-T199 VanDerWaalsContact C-N 3.35Å; S197-T199 PolarHBondContact O-N 3.13Å; T199-A203 WeakPolarHBondContact O-CB 3.12Å; T199-A203 PolarHBondContact O-N 3.15Å
200	M	98.8	Very high	98.7	Very high	35 Å²	35	29.2 Å²	29.2	17%	0.172	15%	0.148	C	C	.	.	H	α-helix	trans	-67.1	-41.3	177.2	-67.3	-48.8	100.7	0	0	112	L84 T85 Q125 Y196 S197 L198 A203 A204	L84-M200 HydrophobicContact CB-CE 3.48Å; L84-M200 VanDerWaalsContact CB-CE 3.48Å; L84-M200 HydrophobicContact CD1-CE 3.79Å; L84-M200 HydrophobicContact CD1-SD 4.29Å; L84-M200 HydrophobicContact CG-CE 4.28Å; T85-M200 HydrophobicContact CG2-CE 3.75Å; Q125-M200 VanDerWaalsContact OE1-C 3.26Å; Q125-M200 PolarHBondContact OE1-O 3.28Å; Y196-M200 HydrophobicContact CD1-CG 4.03Å; Y196-M200 HydrophobicContact CE1-CG 3.62Å; Y196-M200 HydrophobicContact CE2-CE 4.44Å; Y196-M200 HydrophobicContact CE2-CG 4.49Å; Y196-M200 WeakPolarHBondContact O-CG 3.42Å; Y196-M200 PolarHBondContact O-N 3.07Å; S197-M200 PolarHBondContact O-N 3.04Å; L198-M200 VanDerWaalsContact C-N 3.34Å; L198-M200 PolarHBondContact O-N 3.31Å; M200-A203 PolarHBondContact O-N 2.77Å; M200-A204 PolarHBondContact O-N 2.69Å
201	A	98.9	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-46.7	175.6	0	0	0	0	0	111.3	L119 T123 Q125 V127 S197 L198 A203 A204 G205	L119-A201 HydrophobicContact CB-CB 4.49Å; T123-A201 WeakPolarHBondContact CG2-O 3.44Å; Q125-A201 HydrophobicContact CB-CB 4.08Å; V127-A201 HydrophobicContact CG1-CB 3.53Å; S197-A201 WeakPolarHBondContact O-CB 3.39Å; S197-A201 PolarHBondContact O-N 2.86Å; L198-A201 PolarHBondContact O-N 3.33Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 2.88Å; A201-A204 PolarHBondContact O-N 2.91Å; A201-G205 PolarHBondContact O-N 2.66Å
202	L	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-41.8	174.4	-72.5	167.4	0	0	0	111.8	V62 Y66 L115 L119 L198 G205 A206	V62-L202 HydrophobicContact CG1-CB 3.72Å; Y66-L202 HydrophobicContact CD1-CD2 3.92Å; Y66-L202 HydrophobicContact CD2-CD2 4.35Å; Y66-L202 HydrophobicContact CE1-CD2 4.37Å; Y66-L202 HydrophobicContact CG-CD2 3.91Å; L115-L202 HydrophobicContact CD2-CD2 4.1Å; L119-L202 HydrophobicContact CD1-CD2 3.98Å; L119-L202 HydrophobicContact CD1-CG 4.01Å; L119-L202 HydrophobicContact CD2-CD2 3.88Å; L119-L202 HydrophobicContact CD2-CG 4.48Å; L198-L202 HydrophobicContact CD1-CD1 3.87Å; L198-L202 HydrophobicContact CD1-CG 4.22Å; L198-L202 HydrophobicContact CG-CD1 4.14Å; L198-L202 WeakPolarHBondContact O-CG 3.46Å; L198-L202 PolarHBondContact O-N 3.04Å; L202-G205 PolarHBondContact O-N 2.95Å; L202-A206 WeakPolarHBondContact O-CB 3.48Å; L202-A206 PolarHBondContact O-N 2.96Å
203	A	98.9	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-40	177.7	0	0	0	0	0	112.1	V62 L84 T199 M200 A201 A206 R207 L213	V62-A203 VanDerWaalsContact CG1-CA 3.49Å; V62-A203 HydrophobicContact CG1-CB 3.7Å; V62-A203 VanDerWaalsContact CG1-N 3.27Å; L84-A203 HydrophobicContact CD1-CB 3.71Å; T199-A203 WeakPolarHBondContact O-CB 3.12Å; T199-A203 PolarHBondContact O-N 3.15Å; M200-A203 PolarHBondContact O-N 2.77Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 2.88Å; A203-A206 PolarHBondContact O-N 2.72Å; A203-R207 WeakPolarHBondContact O-CG 3.43Å; A203-R207 PolarHBondContact O-N 2.95Å; A203-L213 HydrophobicContact CB-CD2 3.7Å
204	A	98.8	Very high	98.6	Very high	24 Å²	24	32.7 Å²	32.7	20%	0.198	17%	0.166	C	C	.	.	H	α-helix	trans	-64.5	-43	174.5	0	0	0	0	0	111.6	M200 A201 R207 K208	M200-A204 PolarHBondContact O-N 2.69Å; A201-A204 PolarHBondContact O-N 2.91Å; A204-R207 PolarHBondContact O-N 3.28Å; A204-K208 VanDerWaalsContact O-CB 3.29Å; A204-K208 WeakPolarHBondContact O-CB 3.31Å; A204-K208 PolarHBondContact O-N 2.73Å
205	G	98.8	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-46.1	170.9	0	0	0	0	0	112.3	A201 L202 R207 K208 Y209	A201-G205 PolarHBondContact O-N 2.66Å; L202-G205 PolarHBondContact O-N 2.95Å; G205-R207 PolarHBondContact O-N 3.1Å; G205-K208 WeakPolarHBondContact O-CB 3.29Å; G205-K208 PolarHBondContact O-N 2.6Å; G205-Y209 WeakPolarHBondContact O-CD2 3.36Å; G205-Y209 PolarHBondContact O-N 3.33Å
206	A	98.8	Very high	98.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-47.1	178.7	0	0	0	0	0	112	A65 L202 A203 Y209 G210 A211 L213	A65-A206 HydrophobicContact CB-CB 4.29Å; L202-A206 WeakPolarHBondContact O-CB 3.48Å; L202-A206 PolarHBondContact O-N 2.96Å; A203-A206 PolarHBondContact O-N 2.72Å; A206-Y209 CarbonylContact O-C 3.56Å; A206-Y209 PolarHBondContact O-N 2.78Å; A206-G210 PolarHBondContact O-N 2.84Å; A206-A211 HydrophobicContact CB-CB 4Å; A206-A211 WeakPolarHBondContact O-CB 3.28Å; A206-A211 PolarHBondContact O-N 3.04Å; A206-L213 HydrophobicContact CB-CD1 4.21Å
207	R	98.7	Very high	98.5	Very high	79 Å²	79	33 Å²	33	30%	0.298	17%	0.172	S	C	.	.	H	α-helix	trans	-62.8	-43.2	175.5	-69.5	-175.6	-167.4	101.8	-4.9	112	A203 A204 G205 Y209 G210 L213 Y215	A203-R207 WeakPolarHBondContact O-CG 3.43Å; A203-R207 PolarHBondContact O-N 2.95Å; A204-R207 PolarHBondContact O-N 3.28Å; G205-R207 PolarHBondContact O-N 3.1Å; R207-Y209 PolarHBondContact O-N 2.87Å; R207-G210 PolarHBondContact O-N 3.16Å; R207-L213 HydrophobicContact CG-CD1 4.4Å; R207-Y215 PolarHBondContact NH2-OH 3.37Å
208	K	98.4	Very high	98.5	Very high	131 Å²	131	33.1 Å²	33.1	57%	0.57	17%	0.173	S	C	*	.	H	α-helix	trans	-54.7	-34.6	175.1	179.1	-174.5	-177.9	-175.9	0	112.1	E122 A204 G205	E122-K208 PolarHBondContact O-NZ 3.23Å; A204-K208 VanDerWaalsContact O-CB 3.29Å; A204-K208 WeakPolarHBondContact O-CB 3.31Å; A204-K208 PolarHBondContact O-N 2.73Å; G205-K208 WeakPolarHBondContact O-CB 3.29Å; G205-K208 PolarHBondContact O-N 2.6Å
209	Y	98.6	Very high	98.5	Very high	74 Å²	74	34 Å²	34	29%	0.29	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	2.9	177	-61.8	-57.3	0	0	0	114.7	Y66 K70 E122 G205 A206 R207	Y66-Y209 HydrophobicContact CD2-CD2 4.47Å; Y66-Y209 HydrophobicContact CD2-CE2 4.44Å; Y66-Y209 HydrophobicContact CE2-CD2 4.44Å; Y66-Y209 AromaticContact CE2-CE2 3.98Å; Y66-Y209 HydrophobicContact CE2-CE2 3.98Å; K70-Y209 HydrophobicContact CB-CD2 3.6Å; K70-Y209 HydrophobicContact CB-CE2 3.82Å; K70-Y209 HydrophobicContact CB-CG 4.08Å; K70-Y209 HydrophobicContact CD-CD2 4.39Å; K70-Y209 HydrophobicContact CD-CE2 3.73Å; K70-Y209 HydrophobicContact CG-CD2 4.04Å; K70-Y209 HydrophobicContact CG-CE1 4.41Å; K70-Y209 HydrophobicContact CG-CE2 3.73Å; E122-Y209 WeakPolarHBondContact OE1-CE2 3.34Å; E122-Y209 VanDerWaalsContact OE1-CZ 3.27Å; E122-Y209 PolarHBondContact OE1-OH 2.88Å; G205-Y209 WeakPolarHBondContact O-CD2 3.36Å; G205-Y209 PolarHBondContact O-N 3.33Å; A206-Y209 CarbonylContact O-C 3.56Å; A206-Y209 PolarHBondContact O-N 2.78Å; R207-Y209 PolarHBondContact O-N 2.87Å
210	G	97.5	Very high	98.5	Very high	48 Å²	48	37.9 Å²	37.9	50%	0.495	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	11.3	171.3	0	0	0	0	0	115.9	A206 R207	A206-G210 PolarHBondContact O-N 2.84Å; R207-G210 PolarHBondContact O-N 3.16Å
211	A	98.6	Very high	98.5	Very high	7 Å²	7	38 Å²	38	6%	0.058	21%	0.206	C	C	.	.			trans	-70.3	139	168.9	0	0	0	0	0	110.9	A69 V76 A206 L213	A69-A211 HydrophobicContact CB-CB 4Å; V76-A211 HydrophobicContact CB-CB 4.16Å; V76-A211 HydrophobicContact CG1-CB 4.21Å; V76-A211 WeakPolarHBondContact O-CA 3.42Å; A206-A211 HydrophobicContact CB-CB 4Å; A206-A211 WeakPolarHBondContact O-CB 3.28Å; A206-A211 PolarHBondContact O-N 3.04Å; A211-L213 HydrophobicContact CB-CD1 3.79Å
212	L	98.4	Very high	98.5	Very high	20 Å²	20	38.3 Å²	38.3	11%	0.105	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.9	174.2	178.3	64.2	0	0	0	109.7	K47 V76 V77 L78 K214	K47-L212 HydrophobicContact CD-CD2 4.45Å; K47-L212 HydrophobicContact CG-CD2 4.19Å; V76-L212 PolarHBondContact O-N 2.85Å; V77-L212 CarbonylContact C-O 3.53Å; V77-L212 VanDerWaalsContact CA-O 3.31Å; V77-L212 WeakPolarHBondContact CA-O 3.39Å; V77-L212 HydrophobicContact CG2-CB 4.36Å; V77-L212 HydrophobicContact CG2-CD2 4.46Å; L78-L212 PolarHBondContact N-O 3.49Å; L212-K214 HydrophobicContact CD1-CD 3.88Å; L212-K214 HydrophobicContact CD1-CG 4.45Å; L212-K214 HydrophobicContact CD2-CD 4.13Å; L212-K214 HydrophobicContact CD2-CG 4.15Å; L212-K214 HydrophobicContact CG-CD 3.95Å; L212-K214 HydrophobicContact CG-CG 3.99Å
213	L	98.6	Very high	98.5	Very high	14 Å²	14	44 Å²	44	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.9	177.8	-77.2	59.6	0	0	0	108.5	L78 L84 A203 A206 R207 A211 Y215	L78-L213 HydrophobicContact CB-CD1 4.42Å; L78-L213 HydrophobicContact CB-CG 4.05Å; L78-L213 HydrophobicContact CD2-CG 4.43Å; L84-L213 HydrophobicContact CD1-CD2 4.27Å; A203-L213 HydrophobicContact CB-CD2 3.7Å; A206-L213 HydrophobicContact CB-CD1 4.21Å; R207-L213 HydrophobicContact CG-CD1 4.4Å; A211-L213 HydrophobicContact CB-CD1 3.79Å; L213-Y215 HydrophobicContact CB-CE1 4.31Å
214	K	98.3	Very high	98.4	Very high	49 Å²	49	47.2 Å²	47.2	21%	0.213	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.3	179.6	-61.8	-61.3	-61.9	-173.5	0	111	L78 L79 E80 L212 A217	L78-K214 PolarHBondContact O-N 3.34Å; L79-K214 HydrophobicContact CD2-CB 4.01Å; E80-K214 PolarHBondContact N-O 3.11Å; L212-K214 HydrophobicContact CD1-CD 3.88Å; L212-K214 HydrophobicContact CD1-CG 4.45Å; L212-K214 HydrophobicContact CD2-CD 4.13Å; L212-K214 HydrophobicContact CD2-CG 4.15Å; L212-K214 HydrophobicContact CG-CD 3.95Å; L212-K214 HydrophobicContact CG-CG 3.99Å; K214-A217 HydrophobicContact CB-CB 4Å
215	Y	97.5	Very high	98.4	Very high	96 Å²	96	50.6 Å²	50.6	38%	0.376	27%	0.267	S	S	.	.	S	Bend	trans	-158.8	146.4	173.8	50.7	-90.1	0	0	0	110	S82 L84 R207 L213	S82-Y215 WeakPolarHBondContact O-CB 3.44Å; L84-Y215 HydrophobicContact CD1-CE1 4.22Å; L84-Y215 HydrophobicContact CD2-CD1 4.16Å; L84-Y215 HydrophobicContact CD2-CE1 4.21Å; L84-Y215 HydrophobicContact CG-CD1 4.29Å; L84-Y215 HydrophobicContact CG-CE1 3.97Å; R207-Y215 PolarHBondContact NH2-OH 3.37Å; L213-Y215 HydrophobicContact CB-CE1 4.31Å
216	P	97.8	Very high	98.4	Very high	84 Å²	84	56.5 Å²	56.5	55%	0.545	31%	0.308	S	S	.	.	S	Bend	cis	-68.4	128.5	-11.4	30	-34	0	0	0	110.4	K81 Q236	K81-P216 WeakPolarHBondContact O-CB 3.31Å; P216-Q236 VanDerWaalsContact O-CD 3.28Å; P216-Q236 PolarHBondContact O-NE2 2.65Å
217	A	98.2	Very high	98.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.008	33%	0.329	C	S	.	.			trans	-151.1	64.1	178	0	0	0	0	0	111.5	L79 E80 K214 V219 Q236	L79-A217 HydrophobicContact CD2-CB 4.1Å; E80-A217 CarbonylContact O-C 3.58Å; E80-A217 PolarHBondContact O-N 3.47Å; K214-A217 HydrophobicContact CB-CB 4Å; A217-V219 PolarHBondContact O-N 3.32Å; A217-Q236 VanDerWaalsContact CA-OE1 3.24Å
218	P	98.6	Very high	98.2	Very high	34 Å²	34	56.9 Å²	56.9	22%	0.221	32%	0.317	C	S	.	.			trans	-64.1	134.5	-178.1	25.8	-32	0	0	0	111.2	K81 T220 T234 P235	K81-P218 HydrophobicContact CB-CB 4.12Å; K81-P218 HydrophobicContact CG-CB 4.07Å; P218-T220 PolarHBondContact O-N 3.09Å; P218-T234 WeakPolarHBondContact O-CA 3.29Å; P218-T234 VanDerWaalsContact O-CB 3.26Å; P218-T234 WeakPolarHBondContact O-CB 3.22Å; P218-P235 HydrophobicContact CG-CG 4.07Å; P218-P235 VanDerWaalsContact O-CD 3.26Å; P218-P235 WeakPolarHBondContact O-CD 3.44Å
219	V	98.8	Very high	98.2	Very high	17 Å²	17	51.6 Å²	51.6	10%	0.103	30%	0.296	C	S	.	.			trans	-70.1	128.6	166.5	177.1	0	0	0	0	108.7	I55 L79 A217 L222 V232 E233 M258	I55-V219 HydrophobicContact CD1-CG1 4.4Å; I55-V219 HydrophobicContact CD1-CG2 4.15Å; I55-V219 HydrophobicContact CG1-CG2 4.04Å; I55-V219 HydrophobicContact CG2-CB 4.18Å; I55-V219 HydrophobicContact CG2-CG2 3.88Å; L79-V219 HydrophobicContact CB-CG2 4.23Å; L79-V219 HydrophobicContact CD1-CG2 3.75Å; A217-V219 PolarHBondContact O-N 3.32Å; V219-L222 HydrophobicContact CG1-CD2 3.8Å; V219-L222 HydrophobicContact CG1-CG 3.87Å; V219-V232 HydrophobicContact CG1-CG1 4.05Å; V219-V232 HydrophobicContact CG2-CG1 3.77Å; V219-E233 WeakPolarHBondContact CA-O 3.44Å; V219-M258 HydrophobicContact CG1-SD 4.08Å
220	T	98.6	Very high	98.2	Very high	83 Å²	83	48.2 Å²	48.2	51%	0.509	28%	0.282	S	S	.	.			trans	-114.5	-21.1	179.6	56.2	0	0	0	0	112.7	P218 E233 P235	P218-T220 PolarHBondContact O-N 3.09Å; T220-E233 PolarHBondContact N-O 2.75Å; T220-E233 PolarHBondContact OG1-O 3.04Å; T220-P235 HydrophobicContact CG2-CG 4.41Å
221	S	98.6	Very high	98.3	Very high	37 Å²	37	47.5 Å²	47.5	26%	0.259	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	147.9	175.4	-170.8	0	0	0	0	111.2	E233	S221-E233 PolarHBondContact O-N 3.26Å
222	L	98.9	Very high	98.3	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.6	174.6	-67.9	171.7	0	0	0	108	I55 V219 W230 V232 I244 V255 M258 I259	I55-L222 HydrophobicContact CD1-CD1 3.94Å; I55-L222 HydrophobicContact CD1-CD2 4.07Å; V219-L222 HydrophobicContact CG1-CD2 3.8Å; V219-L222 HydrophobicContact CG1-CG 3.87Å; L222-W230 HydrophobicContact CB-CZ3 4.49Å; L222-V232 HydrophobicContact CD2-CB 4.26Å; L222-V232 HydrophobicContact CD2-CG1 3.97Å; L222-V232 HydrophobicContact CD2-CG2 3.85Å; L222-I244 HydrophobicContact CD1-CD1 3.9Å; L222-I244 HydrophobicContact CD2-CD1 3.83Å; L222-I244 HydrophobicContact CG-CD1 4.34Å; L222-V255 HydrophobicContact CD1-CG1 4Å; L222-M258 HydrophobicContact CB-CB 4.33Å; L222-M258 HydrophobicContact CD1-CB 4.37Å; L222-M258 HydrophobicContact CD1-SD 4.38Å; L222-M258 HydrophobicContact CG-SD 4.34Å; L222-I259 HydrophobicContact CB-CG2 3.53Å; L222-I259 HydrophobicContact CD1-CG2 4.15Å
223	K	98.7	Very high	98.3	Very high	119 Å²	119	49.3 Å²	49.3	52%	0.517	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.1	176.3	-66	178.7	-175.6	170.6	0	109.9	D231	K223-D231 HydrophobicContact CB-CB 4.39Å; K223-D231 PolarHBondContact N-O 2.9Å; K223-D231 PolarHBondContact O-N 3.01Å
224	A	98.5	Very high	98.3	Very high	69 Å²	69	49.1 Å²	49.1	57%	0.57	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.4	171.7	0	0	0	0	0	110	W230	A224-W230 HydrophobicContact CB-CE3 4.12Å; A224-W230 HydrophobicContact CB-CH2 3.73Å; A224-W230 HydrophobicContact CB-CZ2 4.31Å; A224-W230 HydrophobicContact CB-CZ3 3.61Å
225	R	98.5	Very high	98.3	Very high	94 Å²	94	51.1 Å²	51.1	36%	0.355	29%	0.291	S	S	.	.			trans	-108.8	154.6	172.8	-59.8	176.6	63.9	84.4	9.1	109.8	D227 G228 T229 D231	R225-D227 VanDerWaalsContact CB-OD1 3.23Å; R225-D227 WeakPolarHBondContact CB-OD1 3.34Å; R225-D227 PolarHBondContact O-N 2.87Å; R225-G228 PolarHBondContact O-N 2.6Å; R225-T229 WeakPolarHBondContact CB-O 3.38Å; R225-T229 VanDerWaalsContact CD-OG1 3.31Å; R225-T229 WeakPolarHBondContact CD-OG1 3.38Å; R225-T229 PolarHBondContact N-O 3.22Å; R225-D231 WeakPolarHBondContact CD-OD2 3.47Å; R225-D231 IonicContact CZ-OD2 3.78Å; R225-D231 IonicContact NE-OD2 2.72Å; R225-D231 IonicContact NH1-OD1 3.71Å; R225-D231 IonicContact NH1-OD2 2.79Å; R225-D231 PolarHBondContact NH1-OD2 3.47Å
226	S	97	Very high	98.2	Very high	124 Å²	124	50.8 Å²	50.8	87%	0.867	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.9	-178.2	51.7	0	0	0	0	113.6	G228 R389	S226-G228 PolarHBondContact O-N 2.97Å; S226-R389 PolarHBondContact O-NH1 2.84Å
227	D	96.8	Very high	98.1	Very high	84 Å²	84	48 Å²	48	45%	0.449	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9	173.9	60.8	10.6	0	0	0	113.4	R225 T229 R389	R225-D227 VanDerWaalsContact CB-OD1 3.23Å; R225-D227 WeakPolarHBondContact CB-OD1 3.34Å; R225-D227 PolarHBondContact O-N 2.87Å; D227-T229 VanDerWaalsContact CG-OG1 3.32Å; D227-T229 WeakPolarHBondContact OD1-CB 3.29Å; D227-T229 PolarHBondContact OD1-N 3.03Å; D227-T229 PolarHBondContact OD1-OG1 2.86Å; D227-T229 PolarHBondContact OD2-OG1 2.93Å; D227-R389 VanDerWaalsContact C-NH1 3.34Å; D227-R389 PolarHBondContact O-NH1 2.92Å; D227-R389 PolarHBondContact O-NH2 2.99Å
228	G	97.6	Very high	98	Very high	4 Å²	4	50.9 Å²	50.9	4%	0.041	30%	0.3	C	S	.	.	S	Bend	trans	91.2	3.1	-178.2	0	0	0	0	0	114.1	R225 S226 N390	R225-G228 PolarHBondContact O-N 2.6Å; S226-G228 PolarHBondContact O-N 2.97Å; G228-N390 PolarHBondContact O-ND2 3.06Å
229	T	98.8	Very high	98	Very high	20 Å²	20	49.5 Å²	49.5	12%	0.123	29%	0.29	C	S	.	.			trans	-86.7	174.9	171.6	67.6	0	0	0	0	111.2	R225 D227 A241	R225-T229 WeakPolarHBondContact CB-O 3.38Å; R225-T229 VanDerWaalsContact CD-OG1 3.31Å; R225-T229 WeakPolarHBondContact CD-OG1 3.38Å; R225-T229 PolarHBondContact N-O 3.22Å; D227-T229 VanDerWaalsContact CG-OG1 3.32Å; D227-T229 WeakPolarHBondContact OD1-CB 3.29Å; D227-T229 PolarHBondContact OD1-N 3.03Å; D227-T229 PolarHBondContact OD1-OG1 2.86Å; D227-T229 PolarHBondContact OD2-OG1 2.93Å; T229-A241 WeakPolarHBondContact CB-O 3.35Å
230	W	98.9	Very high	98	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.7	-171	-68.9	90.1	0	0	0	111.5	L222 A224 V232 R240 A241 I244 I259 V388 R389 N390	L222-W230 HydrophobicContact CB-CZ3 4.49Å; A224-W230 HydrophobicContact CB-CE3 4.12Å; A224-W230 HydrophobicContact CB-CH2 3.73Å; A224-W230 HydrophobicContact CB-CZ2 4.31Å; A224-W230 HydrophobicContact CB-CZ3 3.61Å; W230-V232 HydrophobicContact CB-CG2 4.48Å; W230-R240 CarbonylContact O-C 3.53Å; W230-R240 WeakPolarHBondContact O-CA 3.19Å; W230-R240 WeakPolarHBondContact O-CG 3.32Å; W230-A241 HydrophobicContact CB-CB 4.44Å; W230-A241 PolarHBondContact N-O 3.47Å; W230-A241 PolarHBondContact O-N 2.99Å; W230-I244 HydrophobicContact CB-CG2 3.76Å; W230-I244 HydrophobicContact CD2-CD1 3.51Å; W230-I244 HydrophobicContact CD2-CG1 3.93Å; W230-I244 HydrophobicContact CD2-CG2 4.49Å; W230-I244 HydrophobicContact CE3-CD1 3.61Å; W230-I244 HydrophobicContact CG-CD1 3.96Å; W230-I244 HydrophobicContact CG-CG1 4.02Å; W230-I244 HydrophobicContact CG-CG2 3.83Å; W230-I244 HydrophobicContact CH2-CD1 4.29Å; W230-I244 HydrophobicContact CZ2-CD1 4.21Å; W230-I244 HydrophobicContact CZ2-CG1 4.49Å; W230-I244 HydrophobicContact CZ3-CD1 4.02Å; W230-I259 HydrophobicContact CH2-CB 4.49Å; W230-I259 HydrophobicContact CH2-CD1 4.16Å; W230-I259 HydrophobicContact CH2-CG2 4.01Å; W230-I259 HydrophobicContact CZ3-CB 4.49Å; W230-I259 HydrophobicContact CZ3-CG2 3.59Å; W230-V388 HydrophobicContact CH2-CG1 3.44Å; W230-V388 VanDerWaalsContact CH2-CG1 3.44Å; W230-V388 HydrophobicContact CZ2-CG1 3.51Å; W230-R389 VanDerWaalsContact CZ2-O 3.28Å; W230-R389 WeakPolarHBondContact CZ2-O 3.34Å; W230-R389 PolarHBondContact NE1-O 2.94Å; W230-N390 PolarHBondContact NE1-O 3.21Å
231	D	98.8	Very high	98	Very high	34 Å²	34	48.1 Å²	48.1	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.2	162.9	-62.9	-44.6	0	0	0	108.2	K223 R225 R240	K223-D231 HydrophobicContact CB-CB 4.39Å; K223-D231 PolarHBondContact N-O 2.9Å; K223-D231 PolarHBondContact O-N 3.01Å; R225-D231 WeakPolarHBondContact CD-OD2 3.47Å; R225-D231 IonicContact CZ-OD2 3.78Å; R225-D231 IonicContact NE-OD2 2.72Å; R225-D231 IonicContact NH1-OD1 3.71Å; R225-D231 IonicContact NH1-OD2 2.79Å; R225-D231 PolarHBondContact NH1-OD2 3.47Å; D231-R240 IonicContact OD1-NE 2.68Å; D231-R240 PolarHBondContact OD1-NE 2.85Å
232	V	98.8	Very high	98	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.3	-178.3	-175.7	0	0	0	0	108.8	V53 L79 V219 L222 W230 S238 M239 A241 I244	V53-V232 HydrophobicContact CG1-CG1 4.48Å; V53-V232 HydrophobicContact CG1-CG2 4.49Å; L79-V232 HydrophobicContact CD1-CG1 3.88Å; V219-V232 HydrophobicContact CG1-CG1 4.05Å; V219-V232 HydrophobicContact CG2-CG1 3.77Å; L222-V232 HydrophobicContact CD2-CB 4.26Å; L222-V232 HydrophobicContact CD2-CG1 3.97Å; L222-V232 HydrophobicContact CD2-CG2 3.85Å; W230-V232 HydrophobicContact CB-CG2 4.48Å; V232-S238 VanDerWaalsContact O-CA 3.29Å; V232-S238 WeakPolarHBondContact O-CA 3.23Å; V232-M239 HydrophobicContact CB-CG 3.98Å; V232-M239 PolarHBondContact N-O 2.86Å; V232-M239 PolarHBondContact O-N 2.89Å; V232-A241 HydrophobicContact CG2-CB 4.41Å; V232-I244 HydrophobicContact CG2-CG2 3.86Å
233	E	98.7	Very high	98	Very high	64 Å²	64	51 Å²	51	30%	0.299	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.3	-178.1	-63.2	-66.8	162.4	0	0	111.3	V219 T220 S221 S238	V219-E233 WeakPolarHBondContact CA-O 3.44Å; T220-E233 PolarHBondContact N-O 2.75Å; T220-E233 PolarHBondContact OG1-O 3.04Å; S221-E233 PolarHBondContact O-N 3.26Å; E233-S238 WeakPolarHBondContact OE2-CB 3.2Å
234	T	98.6	Very high	98	Very high	10 Å²	10	45.4 Å²	45.4	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	165	168.1	88.5	0	0	0	0	110.3	W46 L79 P218 Q236 G237	W46-T234 HydrophobicContact CH2-CG2 4.05Å; W46-T234 WeakPolarHBondContact CH2-OG1 3.49Å; L79-T234 HydrophobicContact CD1-CG2 3.81Å; P218-T234 WeakPolarHBondContact O-CA 3.29Å; P218-T234 VanDerWaalsContact O-CB 3.26Å; P218-T234 WeakPolarHBondContact O-CB 3.22Å; T234-Q236 PolarHBondContact O-N 3.18Å; T234-Q236 VanDerWaalsContact O-N 3.11Å; T234-Q236 PolarHBondContact OG1-N 3.32Å; T234-Q236 VanDerWaalsContact OG1-N 3.12Å; T234-Q236 PolarHBondContact OG1-OE1 3.45Å; T234-G237 PolarHBondContact N-O 2.89Å; T234-G237 PolarHBondContact O-N 3.07Å; T234-G237 VanDerWaalsContact O-N 3.15Å; T234-G237 PolarHBondContact OG1-O 3.34Å
235	P	97.7	Very high	98	Very high	91 Å²	91	42.1 Å²	42.1	59%	0.591	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18	173.7	-25.1	35.2	0	0	0	115	P218 T220	P218-P235 HydrophobicContact CG-CG 4.07Å; P218-P235 VanDerWaalsContact O-CD 3.26Å; P218-P235 WeakPolarHBondContact O-CD 3.44Å; T220-P235 HydrophobicContact CG2-CG 4.41Å
236	Q	95.6	Very high	98.1	Very high	90 Å²	90	37.6 Å²	37.6	42%	0.421	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.5	-178.5	-62.8	70.8	26	0	0	112.1	W46 P216 A217 T234	W46-Q236 HydrophobicContact CE3-CB 4.26Å; W46-Q236 HydrophobicContact CH2-CB 4.41Å; W46-Q236 HydrophobicContact CZ3-CB 3.92Å; P216-Q236 VanDerWaalsContact O-CD 3.28Å; P216-Q236 PolarHBondContact O-NE2 2.65Å; A217-Q236 VanDerWaalsContact CA-OE1 3.24Å; T234-Q236 PolarHBondContact O-N 3.18Å; T234-Q236 VanDerWaalsContact O-N 3.11Å; T234-Q236 PolarHBondContact OG1-N 3.32Å; T234-Q236 VanDerWaalsContact OG1-N 3.12Å; T234-Q236 PolarHBondContact OG1-OE1 3.45Å
237	G	95.4	Very high	98.2	Very high	25 Å²	25	32.1 Å²	32.1	26%	0.258	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	148	177.3	-179.5	0	0	0	0	0	111.9	W46 T234	W46-G237 WeakPolarHBondContact CH2-O 3.33Å; W46-G237 WeakPolarHBondContact CZ2-O 3Å; T234-G237 PolarHBondContact N-O 2.89Å; T234-G237 PolarHBondContact O-N 3.07Å; T234-G237 VanDerWaalsContact O-N 3.15Å; T234-G237 PolarHBondContact OG1-O 3.34Å
238	S	96.7	Very high	98.3	Very high	62 Å²	62	28.7 Å²	28.7	43%	0.434	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	154.4	172.8	61.8	0	0	0	0	111.4	W46 V232 E233	W46-S238 PolarHBondContact NE1-O 2.85Å; W46-S238 VanDerWaalsContact NE1-O 3.13Å; V232-S238 VanDerWaalsContact O-CA 3.29Å; V232-S238 WeakPolarHBondContact O-CA 3.23Å; E233-S238 WeakPolarHBondContact OE2-CB 3.2Å
239	M	97.8	Very high	98.3	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.02	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150.7	170.4	66.6	-179.8	68.8	0	0	110.8	W46 K47 D48 A50 V53 V77 L79 V232	W46-M239 HydrophobicContact CD2-CE 4.47Å; W46-M239 HydrophobicContact CE3-CE 4.31Å; W46-M239 HydrophobicContact CH2-CE 3.25Å; W46-M239 HydrophobicContact CZ2-CB 4.27Å; W46-M239 HydrophobicContact CZ2-CE 3.39Å; W46-M239 HydrophobicContact CZ3-CE 3.74Å; K47-M239 WeakPolarHBondContact O-CB 3.35Å; D48-M239 WeakPolarHBondContact O-CA 3.28Å; A50-M239 HydrophobicContact CB-SD 4.47Å; V53-M239 HydrophobicContact CG2-CG 4.23Å; V53-M239 HydrophobicContact CG2-SD 3.42Å; V53-M239 WeakPolarHBondContact CG2-SD 3.28Å; V77-M239 HydrophobicContact CB-SD 4.38Å; V77-M239 HydrophobicContact CG1-CE 4.01Å; V77-M239 HydrophobicContact CG1-SD 4.03Å; L79-M239 HydrophobicContact CD1-CE 4.06Å; L79-M239 HydrophobicContact CD1-SD 4.17Å; L79-M239 HydrophobicContact CD2-CE 3.83Å; L79-M239 HydrophobicContact CG-CE 4.41Å; V232-M239 HydrophobicContact CB-CG 3.98Å; V232-M239 PolarHBondContact N-O 2.86Å; V232-M239 PolarHBondContact O-N 2.89Å
240	R	98.8	Very high	98.3	Very high	72 Å²	72	29.3 Å²	29.3	27%	0.272	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.4	170.6	-174.9	-178.1	-60.7	151	4.1	110.4	D48 R49 A50 W230 D231	D48-R240 PolarHBondContact O-N 2.68Å; R49-R240 CarbonylContact C-O 3.55Å; R49-R240 WeakPolarHBondContact CA-O 3.17Å; A50-R240 PolarHBondContact N-O 2.79Å; W230-R240 CarbonylContact O-C 3.53Å; W230-R240 WeakPolarHBondContact O-CA 3.19Å; W230-R240 WeakPolarHBondContact O-CG 3.32Å; D231-R240 IonicContact OD1-NE 2.68Å; D231-R240 PolarHBondContact OD1-NE 2.85Å
241	A	98.8	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.5	178.3	0	0	0	0	0	111.1	A50 V53 T229 W230 V232 R243 I244	A50-A241 VanDerWaalsContact O-CA 3.31Å; A50-A241 WeakPolarHBondContact O-CA 3.44Å; V53-A241 HydrophobicContact CB-CB 4.03Å; V53-A241 HydrophobicContact CG2-CB 3.53Å; T229-A241 WeakPolarHBondContact CB-O 3.35Å; W230-A241 HydrophobicContact CB-CB 4.44Å; W230-A241 PolarHBondContact N-O 3.47Å; W230-A241 PolarHBondContact O-N 2.99Å; V232-A241 HydrophobicContact CG2-CB 4.41Å; A241-R243 VanDerWaalsContact C-N 3.3Å; A241-R243 WeakPolarHBondContact CB-O 3.37Å; A241-I244 HydrophobicContact CB-CG2 3.88Å
242	N	98.8	Very high	98.3	Very high	66 Å²	66	29.1 Å²	29.1	35%	0.353	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-37.4	171.3	-68.5	-17.9	0	0	0	110.9	A50 E51 N390	A50-N242 PolarHBondContact O-N 3.49Å; A50-N242 VanDerWaalsContact O-N 3.16Å; E51-N242 WeakPolarHBondContact O-CB 3.01Å; E51-N242 PolarHBondContact OE2-ND2 2.91Å; N242-N390 WeakPolarHBondContact O-CB 3.49Å; N242-N390 PolarHBondContact O-ND2 3.23Å
243	R	98.9	Very high	98.3	Very high	38 Å²	38	30.4 Å²	30.4	14%	0.143	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	158	171.9	73.4	-172.4	63.8	66.9	1.1	112.3	E51 T52 V53 A241 N390	E51-R243 PolarHBondContact O-N 2.89Å; E51-R243 PolarHBondContact O-NH1 3.36Å; E51-R243 IonicContact OE1-CZ 3.47Å; E51-R243 VanDerWaalsContact OE1-CZ 3.32Å; E51-R243 IonicContact OE1-NH1 3.8Å; E51-R243 PolarHBondContact OE1-NH1 3.43Å; E51-R243 IonicContact OE1-NH2 4Å; E51-R243 PolarHBondContact OE1-NH2 3.49Å; T52-R243 WeakPolarHBondContact CA-O 3.35Å; T52-R243 HydrophobicContact CG2-CG 3.85Å; T52-R243 WeakPolarHBondContact OG1-CD 3.1Å; T52-R243 VanDerWaalsContact OG1-CG 3.29Å; T52-R243 WeakPolarHBondContact OG1-CG 3.45Å; T52-R243 PolarHBondContact OG1-NH1 3.43Å; V53-R243 PolarHBondContact N-O 2.95Å; A241-R243 VanDerWaalsContact C-N 3.3Å; A241-R243 WeakPolarHBondContact CB-O 3.37Å; R243-N390 WeakPolarHBondContact CA-O 3.38Å; R243-N390 HydrophobicContact CB-CB 3.82Å; R243-N390 WeakPolarHBondContact CB-O 3.45Å
244	I	98.9	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.6	175.3	62.9	174.9	0	0	0	110.9	V53 L222 W230 V232 A241 N390 Y391 W392	V53-I244 HydrophobicContact CB-CG2 4.16Å; V53-I244 CarbonylContact O-C 3.34Å; V53-I244 VanDerWaalsContact O-CA 3.28Å; V53-I244 WeakPolarHBondContact O-CA 3.28Å; L222-I244 HydrophobicContact CD1-CD1 3.9Å; L222-I244 HydrophobicContact CD2-CD1 3.83Å; L222-I244 HydrophobicContact CG-CD1 4.34Å; W230-I244 HydrophobicContact CB-CG2 3.76Å; W230-I244 HydrophobicContact CD2-CD1 3.51Å; W230-I244 HydrophobicContact CD2-CG1 3.93Å; W230-I244 HydrophobicContact CD2-CG2 4.49Å; W230-I244 HydrophobicContact CE3-CD1 3.61Å; W230-I244 HydrophobicContact CG-CD1 3.96Å; W230-I244 HydrophobicContact CG-CG1 4.02Å; W230-I244 HydrophobicContact CG-CG2 3.83Å; W230-I244 HydrophobicContact CH2-CD1 4.29Å; W230-I244 HydrophobicContact CZ2-CD1 4.21Å; W230-I244 HydrophobicContact CZ2-CG1 4.49Å; W230-I244 HydrophobicContact CZ3-CD1 4.02Å; V232-I244 HydrophobicContact CG2-CG2 3.86Å; A241-I244 HydrophobicContact CB-CG2 3.88Å; I244-N390 PolarHBondContact N-O 3.18Å; I244-Y391 HydrophobicContact CD1-CD2 3.68Å; I244-Y391 HydrophobicContact CD1-CE2 4.23Å; I244-Y391 HydrophobicContact CG1-CD2 3.7Å; I244-Y391 HydrophobicContact CG1-CE2 4.47Å; I244-W392 PolarHBondContact O-N 2.97Å
245	V	99	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.8	178.3	-167.8	0	0	0	0	109.7	T52 V53 I54 I55 L64 A247 W392 L411 I415	T52-V245 HydrophobicContact CG2-CG2 3.86Å; V53-V245 PolarHBondContact O-N 3.32Å; I54-V245 HydrophobicContact CG1-CB 4.35Å; I54-V245 HydrophobicContact CG1-CG2 4.38Å; I55-V245 PolarHBondContact N-O 2.85Å; L64-V245 HydrophobicContact CD2-CB 4.05Å; L64-V245 HydrophobicContact CD2-CG1 3.64Å; L64-V245 HydrophobicContact CD2-CG2 3.92Å; V245-A247 PolarHBondContact O-N 3.12Å; V245-W392 CarbonylContact C-O 3.04Å; V245-W392 WeakPolarHBondContact CA-O 3.41Å; V245-W392 HydrophobicContact CB-CB 4.38Å; V245-W392 HydrophobicContact CG1-CB 4.08Å; V245-W392 HydrophobicContact CG2-CB 4.08Å; V245-L411 HydrophobicContact CG1-CD2 4.13Å; V245-I415 HydrophobicContact CG2-CD1 4.32Å
246	N	98.9	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.4	172	-176.7	2.2	0	0	0	109.8	A248 A252 V255 Y391 W392 V393 A394 I395	N246-A248 WeakPolarHBondContact OD1-CB 3.48Å; N246-A248 PolarHBondContact OD1-N 3.23Å; N246-A248 VanDerWaalsContact OD1-N 3.15Å; N246-A252 PolarHBondContact ND2-O 3.23Å; N246-V255 HydrophobicContact CB-CG1 4.34Å; N246-Y391 HydrophobicContact CB-CE2 4.02Å; N246-Y391 WeakPolarHBondContact CB-OH 3.49Å; N246-Y391 PolarHBondContact ND2-OH 3.46Å; N246-W392 PolarHBondContact N-O 3.34Å; N246-V393 HydrophobicContact CB-CG1 4.23Å; N246-V393 WeakPolarHBondContact O-CA 3.39Å; N246-A394 PolarHBondContact O-N 3.16Å; N246-I395 HydrophobicContact CB-CG2 4.38Å; N246-I395 WeakPolarHBondContact O-CG2 3.17Å
247	A	98.9	Very high	98.5	Very high	9 Å²	9	27 Å²	27	7%	0.074	14%	0.144	C	C	.	.			trans	-128.9	29.7	173.7	0	0	0	0	0	111.1	I54 I55 V245 G249 A394	I54-A247 HydrophobicContact CG2-CB 4.29Å; I55-A247 CarbonylContact O-C 3.5Å; I55-A247 WeakPolarHBondContact O-CA 3.43Å; I55-A247 PolarHBondContact O-N 2.85Å; V245-A247 PolarHBondContact O-N 3.12Å; A247-G249 PolarHBondContact O-N 2.99Å; A247-A394 WeakPolarHBondContact CA-O 3.4Å
248	A	98.9	Very high	98.7	Very high	12 Å²	12	28.5 Å²	28.5	10%	0.099	15%	0.145	C	C	.	.			trans	-83.2	26	-164.5	0	0	0	0	0	114.7	I55 N246 F250 W251 A252 V255	I55-A248 HydrophobicContact CG2-CB 4.45Å; I55-A248 PolarHBondContact O-N 3.27Å; I55-A248 VanDerWaalsContact O-N 3.14Å; N246-A248 WeakPolarHBondContact OD1-CB 3.48Å; N246-A248 PolarHBondContact OD1-N 3.23Å; N246-A248 VanDerWaalsContact OD1-N 3.15Å; A248-F250 PolarHBondContact O-N 2.96Å; A248-W251 HydrophobicContact CB-CB 4.16Å; A248-W251 WeakPolarHBondContact O-CA 3.3Å; A248-W251 WeakPolarHBondContact O-CB 3.27Å; A248-W251 PolarHBondContact O-N 2.94Å; A248-A252 PolarHBondContact O-N 3.14Å; A248-V255 HydrophobicContact CB-CG2 3.86Å
249	G	98.6	Very high	98.7	Very high	26 Å²	26	27.2 Å²	27.2	27%	0.268	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	52.1	-128.2	178.6	0	0	0	0	0	112.6	A247 W251 A252 T373	A247-G249 PolarHBondContact O-N 2.99Å; G249-W251 PolarHBondContact O-N 3.27Å; G249-A252 WeakPolarHBondContact O-CB 3.47Å; G249-A252 PolarHBondContact O-N 2.86Å; G249-T373 VanDerWaalsContact C-OG1 3.25Å
250	F	98.4	Very high	98.8	Very high	10 Å²	10	30.2 Å²	30.2	4%	0.044	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-74.4	-9.8	179.5	47.5	-97.8	0	0	0	114	S88 A248 A252 P267 W324 V329 F333 P371 T373	S88-F250 WeakPolarHBondContact OG-CD1 3.19Å; A248-F250 PolarHBondContact O-N 2.96Å; F250-A252 VanDerWaalsContact C-N 3.29Å; F250-P267 HydrophobicContact CB-CB 4.23Å; F250-P267 HydrophobicContact CB-CG 3.93Å; F250-W324 HydrophobicContact CD2-CE3 4.35Å; F250-W324 AromaticContact CD2-CZ3 3.89Å; F250-W324 HydrophobicContact CD2-CZ3 3.89Å; F250-W324 AromaticContact CE2-CZ3 3.99Å; F250-W324 HydrophobicContact CE2-CZ3 3.99Å; F250-W324 HydrophobicContact CG-CZ3 4.42Å; F250-V329 HydrophobicContact CD2-CG1 4.04Å; F250-V329 HydrophobicContact CD2-CG2 4Å; F250-V329 HydrophobicContact CE2-CG1 3.92Å; F250-F333 AromaticContact CE2-CD1 3.83Å; F250-F333 HydrophobicContact CE2-CD1 3.83Å; F250-F333 HydrophobicContact CE2-CE1 4.22Å; F250-F333 AromaticContact CZ-CD1 3.7Å; F250-F333 HydrophobicContact CZ-CD1 3.7Å; F250-F333 AromaticContact CZ-CE1 3.75Å; F250-F333 HydrophobicContact CZ-CE1 3.75Å; F250-P371 HydrophobicContact CD1-CB 4.24Å; F250-P371 HydrophobicContact CD1-CG 4.11Å; F250-P371 HydrophobicContact CE1-CB 4.39Å; F250-P371 HydrophobicContact CE1-CG 3.76Å; F250-P371 HydrophobicContact CZ-CG 4.24Å; F250-T373 VanDerWaalsContact CA-OG1 3.23Å; F250-T373 WeakPolarHBondContact CA-OG1 3.15Å; F250-T373 WeakPolarHBondContact CB-OG1 3.33Å; F250-T373 PolarHBondContact N-OG1 3.4Å
251	W	98.8	Very high	98.8	Very high	32 Å²	32	28 Å²	28	12%	0.121	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-83.3	-4.3	167.4	-63.5	-83.9	0	0	0	113.1	A248 G249 R253 E254 V255 V329 F333	A248-W251 HydrophobicContact CB-CB 4.16Å; A248-W251 WeakPolarHBondContact O-CA 3.3Å; A248-W251 WeakPolarHBondContact O-CB 3.27Å; A248-W251 PolarHBondContact O-N 2.94Å; G249-W251 PolarHBondContact O-N 3.27Å; W251-R253 PolarHBondContact O-N 3.47Å; W251-R253 VanDerWaalsContact O-N 3.13Å; W251-E254 WeakPolarHBondContact O-CA 3.36Å; W251-E254 WeakPolarHBondContact O-CB 3.12Å; W251-E254 PolarHBondContact O-N 2.93Å; W251-V255 PolarHBondContact O-N 3.27Å; W251-V329 HydrophobicContact CG-CG2 4.45Å; W251-V329 HydrophobicContact CZ2-CG1 4.17Å; W251-F333 VanDerWaalsContact CZ2-O 3.25Å; W251-F333 WeakPolarHBondContact CZ2-O 3.14Å
252	A	98.9	Very high	98.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-52.5	-40.1	-177.6	0	0	0	0	0	113.1	N246 A248 G249 F250 V255 G256 H263 L265 I395	N246-A252 PolarHBondContact ND2-O 3.23Å; A248-A252 PolarHBondContact O-N 3.14Å; G249-A252 WeakPolarHBondContact O-CB 3.47Å; G249-A252 PolarHBondContact O-N 2.86Å; F250-A252 VanDerWaalsContact C-N 3.29Å; A252-V255 PolarHBondContact O-N 3.08Å; A252-G256 PolarHBondContact O-N 3.31Å; A252-H263 PolarHBondContact O-CD2 3.18Å; A252-L265 HydrophobicContact CB-CD1 3.71Å; A252-I395 HydrophobicContact CB-CB 3.69Å; A252-I395 HydrophobicContact CB-CD1 4.15Å; A252-I395 HydrophobicContact CB-CG1 4.48Å; A252-I395 HydrophobicContact CB-CG2 3.44Å; A252-I395 VanDerWaalsContact CB-CG2 3.44Å
253	R	98.8	Very high	98.6	Very high	27 Å²	27	30.5 Å²	30.5	10%	0.102	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-40.4	176.6	-179.1	172.4	170.6	67.3	5.7	112.3	W251 G256 K257 E262 H263	W251-R253 PolarHBondContact O-N 3.47Å; W251-R253 VanDerWaalsContact O-N 3.13Å; R253-G256 PolarHBondContact O-N 2.87Å; R253-K257 WeakPolarHBondContact O-CG 3.5Å; R253-K257 PolarHBondContact O-N 3.1Å; R253-E262 IonicContact CZ-OE2 2.81Å; R253-E262 IonicContact NH1-OE2 2.73Å; R253-E262 PolarHBondContact NH1-OE2 2.91Å; R253-E262 IonicContact NH2-OE1 2.7Å; R253-E262 IonicContact NH2-OE2 3.16Å; R253-E262 PolarHBondContact NH2-OE2 3.18Å; R253-H263 PolarHBondContact NH1-O 2.89Å
254	E	98.8	Very high	98.6	Very high	81 Å²	81	29.2 Å²	29.2	38%	0.379	17%	0.165	S	C	.	.	H	α-helix	trans	-66.6	-42.6	177	-167.6	173	115.6	0	0	111.5	W251 G256 K257 M258	W251-E254 WeakPolarHBondContact O-CA 3.36Å; W251-E254 WeakPolarHBondContact O-CB 3.12Å; W251-E254 PolarHBondContact O-N 2.93Å; E254-G256 VanDerWaalsContact C-N 3.34Å; E254-G256 PolarHBondContact O-N 2.83Å; E254-K257 PolarHBondContact O-N 2.78Å; E254-M258 PolarHBondContact O-N 2.89Å
255	V	98.9	Very high	98.6	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.055	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-39.4	173.5	175.6	0	0	0	0	111.4	I55 L222 N246 A248 W251 A252 K257 M258	I55-V255 HydrophobicContact CD1-CG1 3.96Å; I55-V255 HydrophobicContact CG2-CG1 4.42Å; I55-V255 HydrophobicContact CG2-CG2 4.29Å; L222-V255 HydrophobicContact CD1-CG1 4Å; N246-V255 HydrophobicContact CB-CG1 4.34Å; A248-V255 HydrophobicContact CB-CG2 3.86Å; W251-V255 PolarHBondContact O-N 3.27Å; A252-V255 PolarHBondContact O-N 3.08Å; V255-K257 VanDerWaalsContact C-N 3.34Å; V255-K257 PolarHBondContact O-N 2.85Å; V255-M258 WeakPolarHBondContact O-CB 3.3Å; V255-M258 PolarHBondContact O-N 3.35Å
256	G	98.8	Very high	98.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-41	173.9	0	0	0	0	0	113	A252 R253 E254 M258 I259 G260 L261	A252-G256 PolarHBondContact O-N 3.31Å; R253-G256 PolarHBondContact O-N 2.87Å; E254-G256 VanDerWaalsContact C-N 3.34Å; E254-G256 PolarHBondContact O-N 2.83Å; G256-M258 PolarHBondContact O-N 3.14Å; G256-I259 WeakPolarHBondContact O-CG1 3.14Å; G256-I259 PolarHBondContact O-N 2.78Å; G256-I259 VanDerWaalsContact O-N 3.1Å; G256-G260 PolarHBondContact O-N 2.96Å; G256-L261 CarbonylContact C-O 3.55Å; G256-L261 PolarHBondContact O-N 3.4Å
257	K	98.7	Very high	98.6	Very high	93 Å²	93	30 Å²	30	40%	0.404	17%	0.169	S	C	.	.	H	α-helix	trans	-63.3	-25.8	178	-75.3	178.8	175.5	-175.4	0	113.5	R253 E254 V255 I259 G260 L261	R253-K257 WeakPolarHBondContact O-CG 3.5Å; R253-K257 PolarHBondContact O-N 3.1Å; E254-K257 PolarHBondContact O-N 2.78Å; V255-K257 VanDerWaalsContact C-N 3.34Å; V255-K257 PolarHBondContact O-N 2.85Å; K257-I259 PolarHBondContact O-N 2.77Å; K257-I259 VanDerWaalsContact O-N 3.08Å; K257-G260 PolarHBondContact O-N 3.05Å; K257-L261 PolarHBondContact N-O 3.4Å
258	M	98.8	Very high	98.6	Very high	57 Å²	57	29.5 Å²	29.5	28%	0.281	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.6	175	-60.5	-179.8	-178.2	0	0	112.9	V219 L222 E254 V255 G256	V219-M258 HydrophobicContact CG1-SD 4.08Å; L222-M258 HydrophobicContact CB-CB 4.33Å; L222-M258 HydrophobicContact CD1-CB 4.37Å; L222-M258 HydrophobicContact CD1-SD 4.38Å; L222-M258 HydrophobicContact CG-SD 4.34Å; E254-M258 PolarHBondContact O-N 2.89Å; V255-M258 WeakPolarHBondContact O-CB 3.3Å; V255-M258 PolarHBondContact O-N 3.35Å; G256-M258 PolarHBondContact O-N 3.14Å
259	I	98.6	Very high	98.6	Very high	35 Å²	35	29.9 Å²	29.9	18%	0.179	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	15.8	178.8	61.4	164.5	0	0	0	112.6	L222 W230 G256 K257 L261 V388 Y391	L222-I259 HydrophobicContact CB-CG2 3.53Å; L222-I259 HydrophobicContact CD1-CG2 4.15Å; W230-I259 HydrophobicContact CH2-CB 4.49Å; W230-I259 HydrophobicContact CH2-CD1 4.16Å; W230-I259 HydrophobicContact CH2-CG2 4.01Å; W230-I259 HydrophobicContact CZ3-CB 4.49Å; W230-I259 HydrophobicContact CZ3-CG2 3.59Å; G256-I259 WeakPolarHBondContact O-CG1 3.14Å; G256-I259 PolarHBondContact O-N 2.78Å; G256-I259 VanDerWaalsContact O-N 3.1Å; K257-I259 PolarHBondContact O-N 2.77Å; K257-I259 VanDerWaalsContact O-N 3.08Å; I259-L261 HydrophobicContact CD1-CD1 3.57Å; I259-L261 HydrophobicContact CD1-CG 3.97Å; I259-L261 HydrophobicContact CG1-CB 4.44Å; I259-L261 HydrophobicContact CG1-CD1 4.12Å; I259-L261 HydrophobicContact CG1-CG 4Å; I259-V388 HydrophobicContact CD1-CG1 4.23Å; I259-Y391 HydrophobicContact CD1-CD1 3.95Å; I259-Y391 HydrophobicContact CD1-CD2 3.65Å; I259-Y391 HydrophobicContact CD1-CE1 4.02Å; I259-Y391 HydrophobicContact CD1-CE2 3.72Å; I259-Y391 HydrophobicContact CD1-CG 3.78Å
260	G	98.2	Very high	98.6	Very high	68 Å²	68	29.3 Å²	29.3	70%	0.701	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	21.1	177.6	0	0	0	0	0	115.3	G256 K257	G256-G260 PolarHBondContact O-N 2.96Å; K257-G260 PolarHBondContact O-N 3.05Å
261	L	98.4	Very high	98.6	Very high	25 Å²	25	28.9 Å²	28.9	13%	0.131	15%	0.154	C	C	.	.			trans	-98.4	144.9	176.3	-65	-177.1	0	0	0	112.5	G256 K257 I259 V388 Y391	G256-L261 CarbonylContact C-O 3.55Å; G256-L261 PolarHBondContact O-N 3.4Å; K257-L261 PolarHBondContact N-O 3.4Å; I259-L261 HydrophobicContact CD1-CD1 3.57Å; I259-L261 HydrophobicContact CD1-CG 3.97Å; I259-L261 HydrophobicContact CG1-CB 4.44Å; I259-L261 HydrophobicContact CG1-CD1 4.12Å; I259-L261 HydrophobicContact CG1-CG 4Å; L261-V388 HydrophobicContact CD1-CG2 4.08Å; L261-V388 HydrophobicContact CD2-CG2 3.94Å; L261-V388 HydrophobicContact CG-CG2 4.26Å; L261-Y391 HydrophobicContact CD1-CD1 3.86Å; L261-Y391 HydrophobicContact CD1-CE1 3.67Å
262	E	96.4	Very high	98.6	Very high	119 Å²	119	28.8 Å²	28.8	56%	0.556	15%	0.153	S	C	*	.			trans	-106.9	90.1	175.6	-73.7	-67.7	140.1	0	0	109.8	R253	R253-E262 IonicContact CZ-OE2 2.81Å; R253-E262 IonicContact NH1-OE2 2.73Å; R253-E262 PolarHBondContact NH1-OE2 2.91Å; R253-E262 IonicContact NH2-OE1 2.7Å; R253-E262 IonicContact NH2-OE2 3.16Å; R253-E262 PolarHBondContact NH2-OE2 3.18Å
263	H	98.8	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.			trans	-75.2	125	173.5	-66.6	-43	0	0	0	110.1	A252 R253 L265 H385 Y391 I395	A252-H263 PolarHBondContact O-CD2 3.18Å; R253-H263 PolarHBondContact NH1-O 2.89Å; H263-L265 HydrophobicContact CB-CD1 4.29Å; H263-L265 HydrophobicContact CB-CG 4.33Å; H263-L265 PolarHBondContact O-N 3.41Å; H263-H385 AromaticContact CE1-CD2 3.68Å; H263-H385 AromaticContact CE1-NE2 3.75Å; H263-Y391 AromaticContact CE1-CE1 3.88Å; H263-Y391 AromaticContact NE2-CE1 3.64Å; H263-Y391 AromaticContact NE2-CZ 3.73Å; H263-Y391 PolarHBondContact NE2-OH 2.97Å; H263-I395 HydrophobicContact CB-CD1 4.1Å
264	P	98.7	Very high	98.6	Very high	11 Å²	11	28.6 Å²	28.6	7%	0.071	16%	0.155	C	C	.	.			trans	-80.3	72.5	-177.5	33.4	-35.4	0	0	0	110.1	P376 M381 Y432 T436 T441	P264-P376 HydrophobicContact CB-CG 4.4Å; P264-P376 VanDerWaalsContact O-CD 3.26Å; P264-P376 WeakPolarHBondContact O-CD 3.49Å; P264-M381 HydrophobicContact CG-CE 4.48Å; P264-M381 HydrophobicContact CG-SD 4.17Å; P264-Y432 HydrophobicContact CG-CD2 3.5Å; P264-Y432 VanDerWaalsContact CG-CD2 3.5Å; P264-Y432 HydrophobicContact CG-CE2 4.16Å; P264-Y432 HydrophobicContact CG-CG 3.79Å; P264-T436 HydrophobicContact CB-CG2 3.49Å; P264-T436 VanDerWaalsContact CB-CG2 3.49Å; P264-T436 HydrophobicContact CG-CG2 4Å; P264-T441 HydrophobicContact CB-CG2 4.37Å; P264-T441 WeakPolarHBondContact CB-OG1 3.42Å
265	L	98.9	Very high	98.6	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.031	14%	0.141	C	C	.	.			trans	-127.4	141.6	-178.2	-61.5	177.6	0	0	0	110.9	A252 H263 T373 Y374 M381 I395 G396	A252-L265 HydrophobicContact CB-CD1 3.71Å; H263-L265 HydrophobicContact CB-CD1 4.29Å; H263-L265 HydrophobicContact CB-CG 4.33Å; H263-L265 PolarHBondContact O-N 3.41Å; L265-T373 HydrophobicContact CB-CG2 4.01Å; L265-T373 HydrophobicContact CD1-CG2 3.98Å; L265-T373 HydrophobicContact CD2-CG2 4.4Å; L265-T373 HydrophobicContact CG-CG2 4.37Å; L265-Y374 WeakPolarHBondContact CA-O 3.31Å; L265-M381 HydrophobicContact CD2-SD 4.04Å; L265-M381 HydrophobicContact CG-SD 4.41Å; L265-I395 HydrophobicContact CD1-CB 3.86Å; L265-I395 HydrophobicContact CD1-CD1 3.69Å; L265-I395 HydrophobicContact CD1-CG1 3.78Å; L265-G396 VanDerWaalsContact CD2-CA 3.46Å
266	I	98.9	Very high	98.6	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.7	174.2	-174.5	164.3	0	0	0	110.1	V320 V325 Y374 T441 E442 A445	I266-V320 HydrophobicContact CD1-CB 3.84Å; I266-V320 HydrophobicContact CD1-CG1 4.46Å; I266-V320 HydrophobicContact CD1-CG2 3.97Å; I266-V320 HydrophobicContact CG1-CB 4.32Å; I266-V325 HydrophobicContact CB-CG2 4.02Å; I266-V325 HydrophobicContact CD1-CG2 4.13Å; I266-V325 HydrophobicContact CG1-CG2 3.72Å; I266-Y374 PolarHBondContact N-O 3.45Å; I266-Y374 PolarHBondContact O-N 3.45Å; I266-T441 HydrophobicContact CB-CG2 4.3Å; I266-T441 HydrophobicContact CG2-CG2 4.06Å; I266-E442 HydrophobicContact CD1-CB 3.92Å; I266-E442 HydrophobicContact CD1-CG 3.85Å; I266-A445 HydrophobicContact CG2-CB 3.4Å
267	P	98.9	Very high	98.6	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.039	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.8	170.6	-10.3	25.7	0	0	0	110.2	F250 Q321 W324 P371 I372	F250-P267 HydrophobicContact CB-CB 4.23Å; F250-P267 HydrophobicContact CB-CG 3.93Å; P267-Q321 HydrophobicContact CB-CB 3.9Å; P267-Q321 HydrophobicContact CB-CG 3.99Å; P267-Q321 HydrophobicContact CG-CB 4.07Å; P267-Q321 PolarHBondContact O-N 3.35Å; P267-W324 HydrophobicContact CB-CE3 4.19Å; P267-W324 HydrophobicContact CG-CB 4.43Å; P267-W324 HydrophobicContact CG-CE3 3.86Å; P267-P371 HydrophobicContact CB-CB 4.32Å; P267-I372 CarbonylContact C-O 3.55Å; P267-I372 VanDerWaalsContact CA-O 3.28Å; P267-I372 WeakPolarHBondContact CA-O 3.35Å
268	V	98.8	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	148	174.1	-56.4	0	0	0	0	109.8	M318 V320 P371 I372 Y374 Y449	V268-M318 HydrophobicContact CB-CE 3.87Å; V268-M318 HydrophobicContact CG1-CE 3.93Å; V268-V320 HydrophobicContact CG1-CG1 4.13Å; V268-P371 CarbonylContact O-C 3.48Å; V268-P371 WeakPolarHBondContact O-CA 3.46Å; V268-I372 HydrophobicContact CG2-CB 4.04Å; V268-I372 PolarHBondContact N-O 2.91Å; V268-I372 PolarHBondContact O-N 3.23Å; V268-Y374 HydrophobicContact CG1-CD1 4.11Å; V268-Y374 HydrophobicContact CG1-CD2 4.46Å; V268-Y374 HydrophobicContact CG1-CG 3.92Å; V268-Y374 HydrophobicContact CG2-CD1 4.17Å; V268-Y374 HydrophobicContact CG2-CD2 3.52Å; V268-Y374 HydrophobicContact CG2-CE1 4.29Å; V268-Y374 HydrophobicContact CG2-CE2 3.65Å; V268-Y374 HydrophobicContact CG2-CG 3.8Å; V268-Y449 HydrophobicContact CG2-CD2 4.22Å
269	Q	98.9	Very high	98.6	Very high	20 Å²	20	27.7 Å²	27.7	9%	0.093	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.2	171.2	-64.3	-163.8	8.2	0	0	109.9	K319 F338 R344 N369	Q269-K319 HydrophobicContact CB-CB 4.11Å; Q269-K319 HydrophobicContact CG-CB 3.98Å; Q269-K319 PolarHBondContact N-O 3.06Å; Q269-F338 HydrophobicContact CB-CD2 4.5Å; Q269-F338 HydrophobicContact CG-CD2 3.71Å; Q269-F338 HydrophobicContact CG-CE2 3.76Å; Q269-F338 HydrophobicContact CG-CG 4.49Å; Q269-R344 VanDerWaalsContact OE1-NH1 3.1Å; Q269-N369 PolarHBondContact OE1-ND2 2.81Å
270	H	98.8	Very high	98.6	Very high	14 Å²	14	29.6 Å²	29.6	7%	0.065	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.5	170.4	177.4	56.4	0	0	0	110	Y299 P311 N369 G370 I372 Y449	H270-Y299 AromaticContact CE1-CE1 3.81Å; H270-Y299 AromaticContact NE2-CE1 3.44Å; H270-Y299 WeakPolarHBondContact NE2-CE1 3.4Å; H270-Y299 AromaticContact NE2-CZ 3.57Å; H270-Y299 PolarHBondContact NE2-OH 2.91Å; H270-P311 PolarHBondContact CE1-O 3.14Å; H270-P311 PolarHBondContact ND1-O 3.43Å; H270-N369 WeakPolarHBondContact O-CA 3.33Å; H270-N369 PolarHBondContact O-OD1 3.18Å; H270-G370 PolarHBondContact N-O 3.47Å; H270-G370 PolarHBondContact O-N 2.93Å; H270-I372 HydrophobicContact CB-CD1 3.59Å; H270-I372 HydrophobicContact CB-CG1 4.23Å; H270-Y449 HydrophobicContact CB-CE2 4.15Å; H270-Y449 PolarHBondContact ND1-OH 3.08Å; H270-Y449 VanDerWaalsContact ND1-OH 3.17Å
271	Q	98.8	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.3	-177.8	-61.3	-171.8	98.4	0	0	112.1	G310 P311 D341 R344 I345 V368 N369	Q271-G310 WeakPolarHBondContact O-CA 3.21Å; Q271-P311 WeakPolarHBondContact O-CD 3.33Å; Q271-D341 PolarHBondContact NE2-O 3.5Å; Q271-R344 VanDerWaalsContact NE2-CZ 3.27Å; Q271-I345 HydrophobicContact CB-CD1 4.21Å; Q271-V368 VanDerWaalsContact CA-O 3.23Å; Q271-V368 WeakPolarHBondContact CA-O 3.38Å; Q271-N369 HydrophobicContact CG-CB 3.69Å; Q271-N369 WeakPolarHBondContact CG-OD1 3.31Å
272	Y	98.8	Very high	98.6	Very high	30 Å²	30	31.4 Å²	31.4	12%	0.118	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154	159	66.9	-97	0	0	0	111.4	H91 A93 V274 L308 F309 V367 V368	H91-Y272 VanDerWaalsContact O-CE1 3.24Å; H91-Y272 WeakPolarHBondContact O-CE1 3.31Å; H91-Y272 PolarHBondContact O-OH 3.4Å; A93-Y272 HydrophobicContact CB-CD1 4.01Å; A93-Y272 HydrophobicContact CB-CE1 4.13Å; A93-Y272 HydrophobicContact CB-CG 4.4Å; Y272-V274 HydrophobicContact CD2-CG2 3.87Å; Y272-V274 HydrophobicContact CE2-CG2 3.71Å; Y272-L308 HydrophobicContact CD2-CD1 3.51Å; Y272-L308 HydrophobicContact CD2-CD2 3.94Å; Y272-L308 HydrophobicContact CD2-CG 3.6Å; Y272-L308 HydrophobicContact CE2-CD1 3.49Å; Y272-L308 VanDerWaalsContact CE2-CD1 3.49Å; Y272-L308 HydrophobicContact CE2-CG 4.12Å; Y272-L308 HydrophobicContact CG-CD1 4.36Å; Y272-L308 HydrophobicContact CG-CD2 4.11Å; Y272-L308 HydrophobicContact CG-CG 4.29Å; Y272-F309 CarbonylContact C-O 3.58Å; Y272-F309 WeakPolarHBondContact CA-O 3.26Å; Y272-F309 WeakPolarHBondContact CB-O 3.29Å; Y272-V367 WeakPolarHBondContact O-CA 3.47Å; Y272-V368 HydrophobicContact CD1-CB 4.08Å; Y272-V368 HydrophobicContact CD1-CG1 4.3Å; Y272-V368 HydrophobicContact CD2-CB 4.21Å; Y272-V368 HydrophobicContact CD2-CG2 4.45Å; Y272-V368 HydrophobicContact CE1-CB 3.57Å; Y272-V368 HydrophobicContact CE1-CG1 3.52Å; Y272-V368 HydrophobicContact CE1-CG2 4.24Å; Y272-V368 HydrophobicContact CE2-CB 3.74Å; Y272-V368 HydrophobicContact CE2-CG1 4.45Å; Y272-V368 HydrophobicContact CE2-CG2 3.65Å; Y272-V368 HydrophobicContact CG-CB 4.38Å; Y272-V368 VanDerWaalsContact CZ-CB 3.41Å; Y272-V368 PolarHBondContact N-O 3.37Å; Y272-V368 VanDerWaalsContact N-O 3.07Å; Y272-V368 PolarHBondContact O-N 3.02Å; Y272-V368 WeakPolarHBondContact OH-CG2 3.49Å
273	V	98.8	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.7	-176.1	-178.3	0	0	0	0	108.5	L308 F309 I345 I364 V367	V273-L308 CarbonylContact O-C 3.59Å; V273-L308 VanDerWaalsContact O-CA 3.25Å; V273-L308 WeakPolarHBondContact O-CA 3.46Å; V273-F309 HydrophobicContact CB-CD1 4.22Å; V273-F309 HydrophobicContact CB-CE1 3.75Å; V273-F309 HydrophobicContact CB-CE2 4.4Å; V273-F309 HydrophobicContact CB-CZ 3.84Å; V273-F309 HydrophobicContact CG1-CE1 3.83Å; V273-F309 HydrophobicContact CG1-CZ 4.05Å; V273-F309 HydrophobicContact CG2-CE2 4.45Å; V273-F309 HydrophobicContact CG2-CZ 4.16Å; V273-F309 PolarHBondContact N-O 2.7Å; V273-F309 PolarHBondContact O-N 2.92Å; V273-I345 HydrophobicContact CG2-CD1 4.26Å; V273-I364 HydrophobicContact CG1-CB 4.27Å; V273-I364 HydrophobicContact CG1-CD1 3.81Å; V273-I364 HydrophobicContact CG1-CG1 3.7Å; V273-I364 HydrophobicContact CG1-CG2 3.7Å; V273-V367 HydrophobicContact CG1-CG2 4.33Å; V273-V367 HydrophobicContact CG2-CG1 4.39Å; V273-V367 HydrophobicContact CG2-CG2 4.12Å
274	V	98.8	Very high	98.7	Very high	24 Å²	24	32 Å²	32	15%	0.145	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.2	176.1	-175.1	0	0	0	0	108.9	Y272 E303 L308 I365 N366	Y272-V274 HydrophobicContact CD2-CG2 3.87Å; Y272-V274 HydrophobicContact CE2-CG2 3.71Å; V274-E303 HydrophobicContact CG1-CG 3.97Å; V274-L308 HydrophobicContact CG2-CB 4.46Å; V274-L308 HydrophobicContact CG2-CD1 3.93Å; V274-L308 HydrophobicContact CG2-CG 4.1Å; V274-I365 PolarHBondContact O-N 3.16Å; V274-N366 HydrophobicContact CB-CB 4.43Å; V274-N366 PolarHBondContact N-O 3.35Å; V274-N366 PolarHBondContact O-N 2.89Å
275	T	98.8	Very high	98.7	Very high	11 Å²	11	41.5 Å²	41.5	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	166.4	178.9	75.2	0	0	0	0	112.8	L307 L359 A362 D363	T275-L307 HydrophobicContact CG2-CB 4.48Å; T275-L307 PolarHBondContact N-O 2.86Å; T275-L307 PolarHBondContact OG1-N 3.07Å; T275-L307 PolarHBondContact OG1-O 3.05Å; T275-L359 HydrophobicContact CG2-CD2 3.71Å; T275-A362 HydrophobicContact CG2-CB 4.16Å; T275-D363 CarbonylContact C-O 3.44Å; T275-D363 WeakPolarHBondContact CA-O 3.43Å; T275-D363 WeakPolarHBondContact CB-O 3.11Å
276	S	98.4	Very high	98.6	Very high	30 Å²	30	50.8 Å²	50.8	21%	0.21	26%	0.258	C	S	.	.			trans	-68.9	174.7	164.5	65.3	0	0	0	0	110.9	I278 G306 D363	S276-I278 PolarHBondContact O-N 3.34Å; S276-G306 WeakPolarHBondContact O-CA 3.1Å; S276-D363 PolarHBondContact N-O 2.93Å; S276-D363 PolarHBondContact OG-N 2.88Å
277	T	98.7	Very high	98.6	Very high	82 Å²	82	53.3 Å²	53.3	50%	0.503	27%	0.269	S	S	.	.			trans	-55.9	126.6	173.3	-67.7	0	0	0	0	110.9	K282 D305	T277-K282 HydrophobicContact CG2-CB 4.42Å; T277-K282 HydrophobicContact CG2-CD 4.16Å; T277-D305 WeakPolarHBondContact CA-O 3.42Å; T277-D305 HydrophobicContact CG2-CB 3.69Å
278	I	98.8	Very high	98.6	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	27%	0.268	C	S	.	.			trans	-101.6	123.3	174.9	-62.5	177.9	0	0	0	108.1	S276 E280 V281 K282 D305 L307 V358 L359 A362	S276-I278 PolarHBondContact O-N 3.34Å; I278-E280 VanDerWaalsContact C-N 3.27Å; I278-E280 HydrophobicContact CG2-CB 4.4Å; I278-E280 WeakPolarHBondContact CG2-OE2 3.24Å; I278-E280 PolarHBondContact O-N 3.37Å; I278-V281 HydrophobicContact CB-CB 4.09Å; I278-V281 HydrophobicContact CB-CG2 3.79Å; I278-V281 HydrophobicContact CD1-CG2 4.4Å; I278-V281 HydrophobicContact CG2-CB 4.45Å; I278-V281 HydrophobicContact CG2-CG2 3.91Å; I278-V281 PolarHBondContact O-N 3.11Å; I278-V281 VanDerWaalsContact O-N 3.1Å; I278-K282 PolarHBondContact O-N 2.84Å; I278-D305 PolarHBondContact N-O 3.11Å; I278-L307 HydrophobicContact CD1-CB 4.4Å; I278-L307 HydrophobicContact CD1-CD1 3.82Å; I278-L307 HydrophobicContact CD1-CG 3.94Å; I278-V358 HydrophobicContact CD1-CG2 4.31Å; I278-V358 HydrophobicContact CG2-CB 3.88Å; I278-V358 HydrophobicContact CG2-CG2 4.06Å; I278-L359 HydrophobicContact CD1-CD2 4.3Å; I278-A362 HydrophobicContact CD1-CB 3.72Å; I278-A362 HydrophobicContact CG1-CB 3.8Å
279	P	98.6	Very high	98.6	Very high	94 Å²	94	53.3 Å²	53.3	61%	0.61	27%	0.27	S	S	*	.	H	α-helix	trans	-54.5	-40.8	-176	-27.9	35.4	0	0	0	113.9	K282 A283	P279-K282 PolarHBondContact O-N 3.12Å; P279-A283 WeakPolarHBondContact O-CB 3.37Å; P279-A283 PolarHBondContact O-N 2.87Å
280	E	98.8	Very high	98.6	Very high	75 Å²	75	52.8 Å²	52.8	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-68.2	-37.3	-179.8	-63.3	87.7	160.4	0	0	112	L175 I278 A283 L284 V358	L175-E280 HydrophobicContact CD1-CB 4.26Å; L175-E280 HydrophobicContact CD2-CB 3.82Å; I278-E280 VanDerWaalsContact C-N 3.27Å; I278-E280 HydrophobicContact CG2-CB 4.4Å; I278-E280 WeakPolarHBondContact CG2-OE2 3.24Å; I278-E280 PolarHBondContact O-N 3.37Å; E280-A283 PolarHBondContact O-N 3.02Å; E280-L284 WeakPolarHBondContact O-CG 3.45Å; E280-V358 HydrophobicContact CB-CG1 4.09Å; E280-V358 HydrophobicContact CG-CG1 3.99Å
281	V	98.8	Very high	98.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-46.8	175.1	175.9	0	0	0	0	110	L175 I278 A283 L284 L288 Q302 L307	L175-V281 HydrophobicContact CD1-CG2 3.58Å; I278-V281 HydrophobicContact CB-CB 4.09Å; I278-V281 HydrophobicContact CB-CG2 3.79Å; I278-V281 HydrophobicContact CD1-CG2 4.4Å; I278-V281 HydrophobicContact CG2-CB 4.45Å; I278-V281 HydrophobicContact CG2-CG2 3.91Å; I278-V281 PolarHBondContact O-N 3.11Å; I278-V281 VanDerWaalsContact O-N 3.1Å; V281-A283 PolarHBondContact O-N 3.4Å; V281-L284 WeakPolarHBondContact O-CB 3.35Å; V281-L284 WeakPolarHBondContact O-CG 3.43Å; V281-L284 PolarHBondContact O-N 3.29Å; V281-L284 VanDerWaalsContact O-N 3.09Å; V281-L288 HydrophobicContact CG2-CD1 4.4Å; V281-Q302 HydrophobicContact CG1-CG 4.01Å; V281-L307 HydrophobicContact CG2-CD1 4.49Å; V281-L307 HydrophobicContact CG2-CD2 4.2Å; V281-L307 HydrophobicContact CG2-CG 4.18Å
282	K	98.6	Very high	98.7	Very high	130 Å²	130	53.9 Å²	53.9	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-59.8	-31.8	177.1	-175.5	170.1	-176.7	164.8	0	113.4	T277 I278 P279 L284 D305	T277-K282 HydrophobicContact CG2-CB 4.42Å; T277-K282 HydrophobicContact CG2-CD 4.16Å; I278-K282 PolarHBondContact O-N 2.84Å; P279-K282 PolarHBondContact O-N 3.12Å; K282-L284 PolarHBondContact O-N 2.79Å; K282-D305 HydrophobicContact CB-CB 4.11Å; K282-D305 HydrophobicContact CG-CB 4.46Å
283	A	98.6	Very high	98.7	Very high	81 Å²	81	52.8 Å²	52.8	67%	0.669	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.1	179.8	0	0	0	0	0	113.4	P279 E280 V281	P279-A283 WeakPolarHBondContact O-CB 3.37Å; P279-A283 PolarHBondContact O-N 2.87Å; E280-A283 PolarHBondContact O-N 3.02Å; V281-A283 PolarHBondContact O-N 3.4Å
284	L	98.3	Very high	98.7	Very high	51 Å²	51	53 Å²	53	27%	0.267	27%	0.269	S	S	.	.			trans	-71.3	142.4	-179.9	-61.1	173.8	0	0	0	111.5	P174 L175 E280 V281 K282 R286 L288	P174-L284 HydrophobicContact CG-CD2 3.7Å; L175-L284 HydrophobicContact CD1-CD1 4.23Å; E280-L284 WeakPolarHBondContact O-CG 3.45Å; V281-L284 WeakPolarHBondContact O-CB 3.35Å; V281-L284 WeakPolarHBondContact O-CG 3.43Å; V281-L284 PolarHBondContact O-N 3.29Å; V281-L284 VanDerWaalsContact O-N 3.09Å; K282-L284 PolarHBondContact O-N 2.79Å; L284-R286 WeakPolarHBondContact CB-O 3.27Å; L284-L288 HydrophobicContact CD1-CD1 3.85Å; L284-L288 HydrophobicContact CD1-CD2 3.53Å; L284-L288 HydrophobicContact CD1-CG 3.56Å
285	K	98.1	Very high	98.7	Very high	209 Å²	209	56.3 Å²	56.3	91%	0.909	28%	0.282	S	S	*	.	S	Bend	trans	-89.6	-10.2	176.8	-62.5	-177.3	-179.4	178.2	0	113.3
286	R	97.8	Very high	98.7	Very high	201 Å²	201	56.3 Å²	56.3	76%	0.758	29%	0.285	S	S	*	.	S	Bend	trans	-133.6	145	-179.7	-65.3	-177.8	-179.1	166.4	-0.1	107.5	L284	L284-R286 WeakPolarHBondContact CB-O 3.27Å
287	E	98.8	Very high	98.7	Very high	56 Å²	56	55.6 Å²	55.6	26%	0.262	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-65	141.4	171	-175.6	172.5	-171.1	0	0	110.2	H130 P132 H192 Q302	H130-E287 IonicContact CE1-OE2 2.95Å; H130-E287 IonicContact CG-OE1 2.7Å; H130-E287 IonicContact CG-OE2 3.48Å; H130-E287 VanDerWaalsContact ND1-CD 3.27Å; H130-E287 IonicContact ND1-OE1 3.12Å; H130-E287 PolarHBondContact ND1-OE1 3.48Å; H130-E287 IonicContact ND1-OE2 3.68Å; H130-E287 PolarHBondContact ND1-OE2 2.69Å; P132-E287 HydrophobicContact CB-CB 4.3Å; P132-E287 HydrophobicContact CB-CG 4.28Å; P132-E287 HydrophobicContact CG-CG 4.19Å; H192-E287 IonicContact CD2-OE1 3.55Å; H192-E287 IonicContact CE1-OE1 3.83Å; H192-E287 IonicContact NE2-OE1 3.93Å; H192-E287 PolarHBondContact NE2-OE1 3Å; E287-Q302 HydrophobicContact CG-CB 4.14Å; E287-Q302 HydrophobicContact CG-CG 4.46Å
288	L	98.9	Very high	98.7	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69.2	138.9	177	-68.3	165.8	0	0	0	110.8	P132 F173 L175 V281 L284 Q302 L307	P132-L288 WeakPolarHBondContact CG-O 3.23Å; F173-L288 HydrophobicContact CB-CD2 4.44Å; F173-L288 HydrophobicContact CD1-CD2 4.08Å; F173-L288 HydrophobicContact CD2-CB 3.92Å; F173-L288 HydrophobicContact CD2-CD2 3.8Å; F173-L288 HydrophobicContact CD2-CG 4.32Å; F173-L288 HydrophobicContact CE1-CD1 4.31Å; F173-L288 HydrophobicContact CE1-CD2 4.29Å; F173-L288 HydrophobicContact CE2-CB 3.69Å; F173-L288 HydrophobicContact CE2-CD1 3.96Å; F173-L288 HydrophobicContact CE2-CD2 4Å; F173-L288 HydrophobicContact CE2-CG 4.1Å; F173-L288 HydrophobicContact CG-CD2 3.85Å; F173-L288 HydrophobicContact CZ-CB 4.41Å; F173-L288 HydrophobicContact CZ-CD1 3.81Å; F173-L288 HydrophobicContact CZ-CD2 4.25Å; F173-L288 HydrophobicContact CZ-CG 4.39Å; L175-L288 HydrophobicContact CD1-CD1 4.18Å; V281-L288 HydrophobicContact CG2-CD1 4.4Å; L284-L288 HydrophobicContact CD1-CD1 3.85Å; L284-L288 HydrophobicContact CD1-CD2 3.53Å; L284-L288 HydrophobicContact CD1-CG 3.56Å; L288-Q302 HydrophobicContact CB-CB 4.42Å; L288-L307 HydrophobicContact CD1-CD2 4.1Å
289	P	98.9	Very high	98.7	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.026	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-62.5	150.3	170.7	28.2	-33.9	0	0	0	110.6	G133 I135 M172 F173 L291	G133-P289 CarbonylContact O-C 3.53Å; G133-P289 WeakPolarHBondContact O-CA 2.87Å; G133-P289 VanDerWaalsContact O-CB 3.24Å; G133-P289 WeakPolarHBondContact O-CB 3.43Å; I135-P289 HydrophobicContact CD1-CB 4.11Å; I135-P289 HydrophobicContact CD1-CG 3.64Å; I135-P289 HydrophobicContact CG1-CB 4.23Å; I135-P289 HydrophobicContact CG1-CG 4.29Å; M172-P289 HydrophobicContact CB-CG 4.23Å; M172-P289 WeakPolarHBondContact O-CD 3.23Å; F173-P289 HydrophobicContact CB-CG 4.35Å; F173-P289 HydrophobicContact CD2-CG 4.1Å; P289-L291 PolarHBondContact O-N 2.87Å
290	V	98.9	Very high	98.7	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.9	174	178.6	0	0	0	0	108.4	L95 G133 S134 I135 L300 R301	L95-V290 HydrophobicContact CD2-CG1 3.59Å; L95-V290 HydrophobicContact CG-CG1 4Å; G133-V290 PolarHBondContact O-N 3.29Å; S134-V290 CarbonylContact C-O 3.48Å; S134-V290 VanDerWaalsContact CA-O 3.28Å; S134-V290 WeakPolarHBondContact CA-O 3.36Å; I135-V290 PolarHBondContact N-O 2.84Å; V290-L300 CarbonylContact C-O 3.59Å; V290-R301 HydrophobicContact CG1-CB 4.38Å; V290-R301 HydrophobicContact CG2-CB 3.98Å
291	L	98.9	Very high	98.7	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	151.5	177.1	-67.6	-173.7	0	0	0	112	I135 F173 L176 P289 Y299 L300	I135-L291 HydrophobicContact CB-CD2 3.85Å; I135-L291 HydrophobicContact CD1-CD2 4.5Å; I135-L291 HydrophobicContact CG2-CD2 4.4Å; I135-L291 CarbonylContact O-C 3.54Å; I135-L291 WeakPolarHBondContact O-CA 3.12Å; F173-L291 HydrophobicContact CD1-CD1 4.02Å; F173-L291 HydrophobicContact CD2-CD1 3.45Å; F173-L291 VanDerWaalsContact CD2-CD1 3.45Å; F173-L291 HydrophobicContact CD2-CD2 3.83Å; F173-L291 HydrophobicContact CD2-CG 3.5Å; F173-L291 HydrophobicContact CE1-CD1 3.88Å; F173-L291 HydrophobicContact CE2-CD1 3.3Å; F173-L291 HydrophobicContact CE2-CD2 4.31Å; F173-L291 HydrophobicContact CE2-CG 3.47Å; F173-L291 VanDerWaalsContact CE2-CG 3.47Å; F173-L291 HydrophobicContact CG-CD1 3.82Å; F173-L291 HydrophobicContact CG-CD2 4.36Å; F173-L291 HydrophobicContact CG-CG 4.27Å; F173-L291 HydrophobicContact CZ-CD1 3.53Å; F173-L291 HydrophobicContact CZ-CG 4.2Å; L176-L291 HydrophobicContact CD1-CD1 3.74Å; P289-L291 PolarHBondContact O-N 2.87Å; L291-Y299 CarbonylContact O-C 3.52Å; L291-Y299 VanDerWaalsContact O-CA 3.29Å; L291-Y299 WeakPolarHBondContact O-CA 3.34Å; L291-L300 HydrophobicContact CB-CB 4.36Å; L291-L300 PolarHBondContact N-O 2.97Å; L291-L300 PolarHBondContact O-N 3.45Å
292	R	98.9	Very high	98.7	Very high	33 Å²	33	45.9 Å²	45.9	13%	0.125	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	111.8	159.2	-159.9	176.1	-119.7	147.5	-6.7	109.8	I135 R136 L137 L294 Y298 N453	I135-R292 PolarHBondContact O-N 2.85Å; R136-R292 HydrophobicContact CG-CB 4.34Å; R136-R292 VanDerWaalsContact NH1-CD 3.28Å; L137-R292 PolarHBondContact N-O 2.97Å; R292-L294 HydrophobicContact CB-CD2 4.37Å; R292-L294 HydrophobicContact CG-CD2 3.85Å; R292-L294 PolarHBondContact O-N 2.92Å; R292-Y298 WeakPolarHBondContact CA-O 3.47Å; R292-N453 WeakPolarHBondContact CD-OD1 3.33Å
293	D	98.9	Very high	98.7	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.4	169.9	-178.7	-5.1	0	0	0	107.9	E295 G296 S297 Y298 M355	D293-E295 PolarHBondContact OD1-N 3.3Å; D293-G296 PolarHBondContact OD1-N 3.26Å; D293-S297 WeakPolarHBondContact O-CA 3.18Å; D293-S297 PolarHBondContact O-N 3.41Å; D293-Y298 HydrophobicContact CB-CD1 4.26Å; D293-Y298 HydrophobicContact CB-CE1 3.6Å; D293-Y298 HydrophobicContact CB-CE2 3.98Å; D293-Y298 VanDerWaalsContact CB-OH 3.32Å; D293-Y298 WeakPolarHBondContact CB-OH 3.19Å; D293-Y298 PolarHBondContact N-O 3.2Å; D293-Y298 PolarHBondContact O-N 3.42Å; D293-Y298 WeakPolarHBondContact OD2-CE1 3.14Å; D293-Y298 PolarHBondContact OD2-OH 2.92Å; D293-M355 WeakPolarHBondContact OD2-CE 3.36Å
294	L	98.8	Very high	98.6	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-37.4	-172.1	-58.2	179.7	0	0	0	112.2	R136 F147 R292 S297 N453	R136-L294 HydrophobicContact CB-CD1 4.38Å; F147-L294 HydrophobicContact CE1-CD1 3.69Å; F147-L294 HydrophobicContact CZ-CD1 3.91Å; R292-L294 HydrophobicContact CB-CD2 4.37Å; R292-L294 HydrophobicContact CG-CD2 3.85Å; R292-L294 PolarHBondContact O-N 2.92Å; L294-S297 PolarHBondContact O-N 3.39Å; L294-N453 HydrophobicContact CD2-CB 4.26Å; L294-N453 WeakPolarHBondContact O-CB 3.39Å
295	E	98.7	Very high	98.6	Very high	93 Å²	93	49.1 Å²	49.1	44%	0.435	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-34	179.2	-61.9	-63.5	127.2	0	0	111.1	T139 T140 R143 D293 S297	T139-E295 WeakPolarHBondContact OG1-CG 3.32Å; T140-E295 HydrophobicContact CG2-CG 4.07Å; R143-E295 WeakPolarHBondContact CG-OE1 3.3Å; R143-E295 IonicContact CZ-OE1 3.15Å; R143-E295 IonicContact NE-OE1 2.81Å; R143-E295 PolarHBondContact NE-OE1 2.99Å; R143-E295 IonicContact NH2-OE1 3.02Å; R143-E295 PolarHBondContact NH2-OE1 3.24Å; D293-E295 PolarHBondContact OD1-N 3.3Å; E295-S297 PolarHBondContact O-N 2.86Å
296	G	98.6	Very high	98.7	Very high	11 Å²	11	39.2 Å²	39.2	11%	0.113	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.3	169.7	0	0	0	0	0	114.3	D293 H348	D293-G296 PolarHBondContact OD1-N 3.26Å; G296-H348 PolarHBondContact O-ND1 3Å
297	S	98.8	Very high	98.7	Very high	16 Å²	16	29.7 Å²	29.7	11%	0.112	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	52	-175.8	-164.1	0	0	0	0	114	D293 L294 E295 P311 Y312 N453	D293-S297 WeakPolarHBondContact O-CA 3.18Å; D293-S297 PolarHBondContact O-N 3.41Å; L294-S297 PolarHBondContact O-N 3.39Å; E295-S297 PolarHBondContact O-N 2.86Å; S297-P311 CarbonylContact O-C 3.43Å; S297-P311 WeakPolarHBondContact O-CA 3.41Å; S297-Y312 PolarHBondContact O-N 2.89Å; S297-Y312 PolarHBondContact OG-O 3.32Å; S297-N453 WeakPolarHBondContact CA-ND2 3.31Å; S297-N453 PolarHBondContact OG-ND2 3.19Å
298	Y	98.9	Very high	98.7	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.4	171.2	66.1	-88.6	0	0	0	112.2	R292 D293 L300 F309 G310 A351 A352 M355	R292-Y298 WeakPolarHBondContact CA-O 3.47Å; D293-Y298 HydrophobicContact CB-CD1 4.26Å; D293-Y298 HydrophobicContact CB-CE1 3.6Å; D293-Y298 HydrophobicContact CB-CE2 3.98Å; D293-Y298 VanDerWaalsContact CB-OH 3.32Å; D293-Y298 WeakPolarHBondContact CB-OH 3.19Å; D293-Y298 PolarHBondContact N-O 3.2Å; D293-Y298 PolarHBondContact O-N 3.42Å; D293-Y298 WeakPolarHBondContact OD2-CE1 3.14Å; D293-Y298 PolarHBondContact OD2-OH 2.92Å; Y298-L300 HydrophobicContact CD2-CB 4.32Å; Y298-L300 HydrophobicContact CE2-CB 4.24Å; Y298-L300 HydrophobicContact CE2-CD1 4.44Å; Y298-F309 HydrophobicContact CD2-CB 4.39Å; Y298-G310 WeakPolarHBondContact CA-O 3.28Å; Y298-A351 HydrophobicContact CE1-CB 4.26Å; Y298-A352 HydrophobicContact CD1-CB 4.25Å; Y298-A352 HydrophobicContact CD2-CB 4.18Å; Y298-A352 HydrophobicContact CE1-CB 3.92Å; Y298-A352 HydrophobicContact CE2-CB 3.82Å; Y298-A352 HydrophobicContact CG-CB 4.42Å; Y298-A352 VanDerWaalsContact CZ-CA 3.5Å; Y298-M355 WeakPolarHBondContact OH-CB 3.49Å; Y298-M355 WeakPolarHBondContact OH-CG 3.44Å
299	Y	98.9	Very high	98.7	Very high	10 Å²	10	27.3 Å²	27.3	4%	0.039	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	156.1	164.6	62.3	-93.5	0	0	0	110.4	A93 L95 H270 L291 L308 F309 G310 Y312	A93-Y299 HydrophobicContact CB-CE2 3.87Å; L95-Y299 HydrophobicContact CD1-CD2 3.76Å; L95-Y299 HydrophobicContact CD1-CE2 3.73Å; L95-Y299 HydrophobicContact CD2-CD2 3.41Å; L95-Y299 VanDerWaalsContact CD2-CD2 3.41Å; L95-Y299 HydrophobicContact CD2-CE2 4.15Å; L95-Y299 HydrophobicContact CD2-CG 3.63Å; L95-Y299 HydrophobicContact CG-CD2 4.26Å; H270-Y299 AromaticContact CE1-CE1 3.81Å; H270-Y299 AromaticContact NE2-CE1 3.44Å; H270-Y299 WeakPolarHBondContact NE2-CE1 3.4Å; H270-Y299 AromaticContact NE2-CZ 3.57Å; H270-Y299 PolarHBondContact NE2-OH 2.91Å; L291-Y299 CarbonylContact O-C 3.52Å; L291-Y299 VanDerWaalsContact O-CA 3.29Å; L291-Y299 WeakPolarHBondContact O-CA 3.34Å; Y299-L308 HydrophobicContact CD2-CD2 4.47Å; Y299-L308 HydrophobicContact CE2-CD2 3.78Å; Y299-F309 CarbonylContact O-C 3.51Å; Y299-F309 WeakPolarHBondContact O-CA 3.45Å; Y299-F309 VanDerWaalsContact O-CB 3.25Å; Y299-F309 WeakPolarHBondContact O-CB 3.42Å; Y299-G310 WeakPolarHBondContact CD1-O 3.34Å; Y299-G310 WeakPolarHBondContact CE1-O 3.49Å; Y299-G310 PolarHBondContact N-O 2.91Å; Y299-G310 VanDerWaalsContact N-O 3.08Å; Y299-G310 PolarHBondContact O-N 3.44Å; Y299-Y312 AromaticContact CD1-CE2 3.9Å; Y299-Y312 HydrophobicContact CD1-CE2 3.9Å; Y299-Y312 AromaticContact CE1-CE2 3.97Å; Y299-Y312 HydrophobicContact CE1-CE2 3.97Å
300	L	98.9	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.5	178.5	179.3	154	0	0	0	110.3	F173 V290 L291 Y298 L307 L308 F309 V356 L359	F173-L300 HydrophobicContact CE2-CD2 3.94Å; F173-L300 HydrophobicContact CZ-CD2 3.67Å; V290-L300 CarbonylContact C-O 3.59Å; L291-L300 HydrophobicContact CB-CB 4.36Å; L291-L300 PolarHBondContact N-O 2.97Å; L291-L300 PolarHBondContact O-N 3.45Å; Y298-L300 HydrophobicContact CD2-CB 4.32Å; Y298-L300 HydrophobicContact CE2-CB 4.24Å; Y298-L300 HydrophobicContact CE2-CD1 4.44Å; L300-L307 HydrophobicContact CD1-CD1 4.4Å; L300-L307 HydrophobicContact CD2-CD2 3.94Å; L300-L308 CarbonylContact C-O 3.6Å; L300-L308 VanDerWaalsContact CA-O 3.26Å; L300-L308 WeakPolarHBondContact CA-O 3.44Å; L300-F309 HydrophobicContact CB-CB 3.91Å; L300-F309 HydrophobicContact CD1-CB 4.11Å; L300-F309 HydrophobicContact CG-CB 4.07Å; L300-V356 HydrophobicContact CD1-CB 4.45Å; L300-V356 HydrophobicContact CD1-CG2 4.01Å; L300-L359 HydrophobicContact CD1-CD1 4.07Å
301	R	98.8	Very high	98.7	Very high	15 Å²	15	26.8 Å²	26.8	6%	0.057	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	166.3	171.8	64.9	170.1	-175.3	76.2	-6.9	111.1	A93 L95 H192 V290 E303 L307 L308	A93-R301 PolarHBondContact O-NE 3.41Å; A93-R301 PolarHBondContact O-NH2 2.86Å; A93-R301 VanDerWaalsContact O-NH2 3.07Å; L95-R301 HydrophobicContact CD1-CG 4.34Å; H192-R301 VanDerWaalsContact CG-CD 3.48Å; V290-R301 HydrophobicContact CG1-CB 4.38Å; V290-R301 HydrophobicContact CG2-CB 3.98Å; R301-E303 IonicContact CZ-OE2 2.79Å; R301-E303 VanDerWaalsContact CZ-OE2 3.23Å; R301-E303 IonicContact NH1-OE2 3.15Å; R301-E303 PolarHBondContact NH1-OE2 3.35Å; R301-E303 IonicContact NH2-OE2 3.59Å; R301-E303 PolarHBondContact NH2-OE2 2.97Å; R301-L307 WeakPolarHBondContact O-CA 3.33Å; R301-L308 HydrophobicContact CG-CB 4.16Å; R301-L308 HydrophobicContact CG-CD2 4.25Å; R301-L308 PolarHBondContact N-O 3.31Å; R301-L308 PolarHBondContact O-N 3.24Å
302	Q	98.8	Very high	98.7	Very high	22 Å²	22	27 Å²	27	10%	0.103	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.8	168	-175.4	166.1	-12.4	0	0	110	V281 E287 L288 R304	V281-Q302 HydrophobicContact CG1-CG 4.01Å; E287-Q302 HydrophobicContact CG-CB 4.14Å; E287-Q302 HydrophobicContact CG-CG 4.46Å; L288-Q302 HydrophobicContact CB-CB 4.42Å; Q302-R304 WeakPolarHBondContact CG-O 3.31Å; Q302-R304 PolarHBondContact NE2-O 3.08Å
303	E	98.3	Very high	98.7	Very high	58 Å²	58	25.4 Å²	25.4	27%	0.271	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	104.6	171.3	175.5	57.5	-135.6	0	0	107.2	V274 R301 D305 G306 L308	V274-E303 HydrophobicContact CG1-CG 3.97Å; R301-E303 IonicContact CZ-OE2 2.79Å; R301-E303 VanDerWaalsContact CZ-OE2 3.23Å; R301-E303 IonicContact NH1-OE2 3.15Å; R301-E303 PolarHBondContact NH1-OE2 3.35Å; R301-E303 IonicContact NH2-OE2 3.59Å; R301-E303 PolarHBondContact NH2-OE2 2.97Å; E303-D305 PolarHBondContact O-N 3.5Å; E303-G306 PolarHBondContact N-O 3.46Å; E303-G306 CarbonylContact O-C 3.58Å; E303-G306 WeakPolarHBondContact O-CA 3.49Å; E303-G306 PolarHBondContact O-N 3.04Å; E303-L308 HydrophobicContact CB-CB 3.87Å
304	R	97.3	Very high	98.6	Very high	215 Å²	215	27.1 Å²	27.1	81%	0.811	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	-121.9	-167.3	-55.8	-178.6	173.9	-152.2	-3.2	111.3	Q302	Q302-R304 WeakPolarHBondContact CG-O 3.31Å; Q302-R304 PolarHBondContact NE2-O 3.08Å
305	D	98.6	Very high	98.6	Very high	57 Å²	57	30.3 Å²	30.3	31%	0.305	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11.1	176.5	-65.8	-20.6	0	0	0	112.1	T277 I278 K282 E303	T277-D305 WeakPolarHBondContact CA-O 3.42Å; T277-D305 HydrophobicContact CG2-CB 3.69Å; I278-D305 PolarHBondContact N-O 3.11Å; K282-D305 HydrophobicContact CB-CB 4.11Å; K282-D305 HydrophobicContact CG-CB 4.46Å; E303-D305 PolarHBondContact O-N 3.5Å
306	G	98.8	Very high	98.5	Very high	2 Å²	2	34 Å²	34	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-164.4	176.4	0	0	0	0	0	111.8	S276 E303	S276-G306 WeakPolarHBondContact O-CA 3.1Å; E303-G306 PolarHBondContact N-O 3.46Å; E303-G306 CarbonylContact O-C 3.58Å; E303-G306 WeakPolarHBondContact O-CA 3.49Å; E303-G306 PolarHBondContact O-N 3.04Å
307	L	98.9	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146	178.3	-65.6	175	0	0	0	110.6	T275 I278 V281 L288 L300 R301 V356 V358 L359	T275-L307 HydrophobicContact CG2-CB 4.48Å; T275-L307 PolarHBondContact N-O 2.86Å; T275-L307 PolarHBondContact OG1-N 3.07Å; T275-L307 PolarHBondContact OG1-O 3.05Å; I278-L307 HydrophobicContact CD1-CB 4.4Å; I278-L307 HydrophobicContact CD1-CD1 3.82Å; I278-L307 HydrophobicContact CD1-CG 3.94Å; V281-L307 HydrophobicContact CG2-CD1 4.49Å; V281-L307 HydrophobicContact CG2-CD2 4.2Å; V281-L307 HydrophobicContact CG2-CG 4.18Å; L288-L307 HydrophobicContact CD1-CD2 4.1Å; L300-L307 HydrophobicContact CD1-CD1 4.4Å; L300-L307 HydrophobicContact CD2-CD2 3.94Å; R301-L307 WeakPolarHBondContact O-CA 3.33Å; L307-V356 HydrophobicContact CD1-CG1 3.89Å; L307-V358 HydrophobicContact CD1-CG2 4.29Å; L307-L359 HydrophobicContact CB-CD2 4.05Å; L307-L359 HydrophobicContact CD1-CD2 3.68Å; L307-L359 HydrophobicContact CD1-CG 4.01Å; L307-L359 HydrophobicContact CG-CD2 4.46Å
308	L	98.9	Very high	98.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.6	168.3	179.4	160.2	0	0	0	108.3	A93 Y272 V273 V274 Y299 L300 R301 E303	A93-L308 HydrophobicContact CB-CD2 3.98Å; Y272-L308 HydrophobicContact CD2-CD1 3.51Å; Y272-L308 HydrophobicContact CD2-CD2 3.94Å; Y272-L308 HydrophobicContact CD2-CG 3.6Å; Y272-L308 HydrophobicContact CE2-CD1 3.49Å; Y272-L308 VanDerWaalsContact CE2-CD1 3.49Å; Y272-L308 HydrophobicContact CE2-CG 4.12Å; Y272-L308 HydrophobicContact CG-CD1 4.36Å; Y272-L308 HydrophobicContact CG-CD2 4.11Å; Y272-L308 HydrophobicContact CG-CG 4.29Å; V273-L308 CarbonylContact O-C 3.59Å; V273-L308 VanDerWaalsContact O-CA 3.25Å; V273-L308 WeakPolarHBondContact O-CA 3.46Å; V274-L308 HydrophobicContact CG2-CB 4.46Å; V274-L308 HydrophobicContact CG2-CD1 3.93Å; V274-L308 HydrophobicContact CG2-CG 4.1Å; Y299-L308 HydrophobicContact CD2-CD2 4.47Å; Y299-L308 HydrophobicContact CE2-CD2 3.78Å; L300-L308 CarbonylContact C-O 3.6Å; L300-L308 VanDerWaalsContact CA-O 3.26Å; L300-L308 WeakPolarHBondContact CA-O 3.44Å; R301-L308 HydrophobicContact CG-CB 4.16Å; R301-L308 HydrophobicContact CG-CD2 4.25Å; R301-L308 PolarHBondContact N-O 3.31Å; R301-L308 PolarHBondContact O-N 3.24Å; E303-L308 HydrophobicContact CB-CB 3.87Å
309	F	98.7	Very high	98.5	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141	174.3	70.2	-80.9	0	0	0	112.2	Y272 V273 Y298 Y299 L300 I349 A352 L359	Y272-F309 CarbonylContact C-O 3.58Å; Y272-F309 WeakPolarHBondContact CA-O 3.26Å; Y272-F309 WeakPolarHBondContact CB-O 3.29Å; V273-F309 HydrophobicContact CB-CD1 4.22Å; V273-F309 HydrophobicContact CB-CE1 3.75Å; V273-F309 HydrophobicContact CB-CE2 4.4Å; V273-F309 HydrophobicContact CB-CZ 3.84Å; V273-F309 HydrophobicContact CG1-CE1 3.83Å; V273-F309 HydrophobicContact CG1-CZ 4.05Å; V273-F309 HydrophobicContact CG2-CE2 4.45Å; V273-F309 HydrophobicContact CG2-CZ 4.16Å; V273-F309 PolarHBondContact N-O 2.7Å; V273-F309 PolarHBondContact O-N 2.92Å; Y298-F309 HydrophobicContact CD2-CB 4.39Å; Y299-F309 CarbonylContact O-C 3.51Å; Y299-F309 WeakPolarHBondContact O-CA 3.45Å; Y299-F309 VanDerWaalsContact O-CB 3.25Å; Y299-F309 WeakPolarHBondContact O-CB 3.42Å; L300-F309 HydrophobicContact CB-CB 3.91Å; L300-F309 HydrophobicContact CD1-CB 4.11Å; L300-F309 HydrophobicContact CG-CB 4.07Å; F309-I349 HydrophobicContact CE2-CB 4.35Å; F309-I349 HydrophobicContact CE2-CG1 3.85Å; F309-I349 HydrophobicContact CE2-CG2 4.5Å; F309-I349 HydrophobicContact CZ-CB 4.47Å; F309-I349 HydrophobicContact CZ-CG1 4.06Å; F309-I349 HydrophobicContact CZ-CG2 4.15Å; F309-A352 HydrophobicContact CD2-CB 3.97Å; F309-A352 HydrophobicContact CE2-CB 3.99Å; F309-L359 HydrophobicContact CD1-CD1 4.48Å; F309-L359 HydrophobicContact CD1-CD2 4.5Å; F309-L359 HydrophobicContact CE1-CD2 4.37Å
310	G	98.7	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.4	-176.1	0	0	0	0	0	111.3	Q271 Y298 Y299	Q271-G310 WeakPolarHBondContact O-CA 3.21Å; Y298-G310 WeakPolarHBondContact CA-O 3.28Å; Y299-G310 WeakPolarHBondContact CD1-O 3.34Å; Y299-G310 WeakPolarHBondContact CE1-O 3.49Å; Y299-G310 PolarHBondContact N-O 2.91Å; Y299-G310 VanDerWaalsContact N-O 3.08Å; Y299-G310 PolarHBondContact O-N 3.44Å
311	P	98.6	Very high	98.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	155.7	177.2	31.9	-33.2	0	0	0	112.8	H270 Q271 S297 I345 H348 Y449	H270-P311 PolarHBondContact CE1-O 3.14Å; H270-P311 PolarHBondContact ND1-O 3.43Å; Q271-P311 WeakPolarHBondContact O-CD 3.33Å; S297-P311 CarbonylContact O-C 3.43Å; S297-P311 WeakPolarHBondContact O-CA 3.41Å; P311-I345 HydrophobicContact CG-CB 3.74Å; P311-I345 HydrophobicContact CG-CD1 3.82Å; P311-I345 HydrophobicContact CG-CG1 4.32Å; P311-I345 HydrophobicContact CG-CG2 3.93Å; P311-H348 HydrophobicContact CB-CB 3.39Å; P311-H348 HydrophobicContact CG-CB 4.16Å; P311-Y449 PolarHBondContact O-OH 2.75Å
312	Y	98.8	Very high	98.4	Very high	8 Å²	8	45.2 Å²	45.2	3%	0.031	21%	0.21	C	C	.	.			trans	-108.8	95.8	162.2	-71.6	-91.6	0	0	0	107.6	S297 Y299 Y399 Y449 N452	S297-Y312 PolarHBondContact O-N 2.89Å; S297-Y312 PolarHBondContact OG-O 3.32Å; Y299-Y312 AromaticContact CD1-CE2 3.9Å; Y299-Y312 HydrophobicContact CD1-CE2 3.9Å; Y299-Y312 AromaticContact CE1-CE2 3.97Å; Y299-Y312 HydrophobicContact CE1-CE2 3.97Å; Y312-Y399 WeakPolarHBondContact OH-CE1 3.32Å; Y312-Y449 AromaticContact CD1-CD2 3.94Å; Y312-Y449 HydrophobicContact CD1-CD2 3.94Å; Y312-Y449 HydrophobicContact CD1-CE1 4.27Å; Y312-Y449 AromaticContact CD1-CE2 3.67Å; Y312-Y449 HydrophobicContact CD1-CE2 3.67Å; Y312-Y449 HydrophobicContact CD1-CG 4.35Å; Y312-Y449 AromaticContact CD1-CZ 3.86Å; Y312-Y449 HydrophobicContact CE1-CD2 4.28Å; Y312-Y449 HydrophobicContact CE1-CE2 4.03Å; Y312-N452 HydrophobicContact CD1-CB 3.63Å; Y312-N452 HydrophobicContact CD2-CB 3.93Å; Y312-N452 WeakPolarHBondContact CD2-OD1 3.35Å; Y312-N452 HydrophobicContact CE1-CB 4.14Å; Y312-N452 HydrophobicContact CE2-CB 4.38Å; Y312-N452 WeakPolarHBondContact CE2-OD1 3.39Å; Y312-N452 HydrophobicContact CG-CB 3.5Å
313	E	98.6	Very high	98.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.			trans	-68.2	162.8	178.2	72.8	-83.2	-157.2	0	0	113.1	K317 M318 R344 I345 H348 Y449	E313-K317 HydrophobicContact CB-CB 4.32Å; E313-K317 HydrophobicContact CG-CB 3.97Å; E313-M318 HydrophobicContact CG-CB 3.84Å; E313-M318 WeakPolarHBondContact OE1-CA 3.48Å; E313-R344 IonicContact OE1-CZ 2.71Å; E313-R344 IonicContact OE1-NE 2.68Å; E313-R344 PolarHBondContact OE1-NE 3.46Å; E313-R344 IonicContact OE1-NH2 3.72Å; E313-I345 HydrophobicContact CB-CG2 4.17Å; E313-I345 HydrophobicContact CG-CG2 4.3Å; E313-H348 WeakPolarHBondContact CA-NE2 3.41Å; E313-Y449 HydrophobicContact CG-CE1 4.17Å; E313-Y449 WeakPolarHBondContact O-CE1 3.42Å; E313-Y449 VanDerWaalsContact OE2-CE1 3.27Å; E313-Y449 WeakPolarHBondContact OE2-CE1 3.15Å; E313-Y449 VanDerWaalsContact OE2-CZ 3.31Å; E313-Y449 PolarHBondContact OE2-OH 3.25Å
314	S	98.3	Very high	98.3	Very high	43 Å²	43	44.9 Å²	44.9	30%	0.301	21%	0.212	S	C	.	.			trans	-57.4	155.5	-175.6	79.1	0	0	0	0	112.5	E316 K317 M318	S314-E316 PolarHBondContact O-N 3.02Å; S314-E316 PolarHBondContact OG-N 2.92Å; S314-K317 PolarHBondContact O-N 2.81Å; S314-K317 PolarHBondContact OG-N 3.1Å; S314-M318 PolarHBondContact O-N 3.04Å
315	Q	97.4	Very high	98.3	Very high	72 Å²	72	35.5 Å²	35.5	34%	0.336	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.5	176	71.7	175.8	22.4	0	0	113	R446	Q315-R446 HydrophobicContact CB-CG 3.99Å; Q315-R446 WeakPolarHBondContact O-CD 3.41Å; Q315-R446 WeakPolarHBondContact O-CG 3.33Å; Q315-R446 PolarHBondContact O-NH1 3Å
316	E	98.1	Very high	98.2	Very high	170 Å²	170	37.8 Å²	37.8	79%	0.794	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-34.4	178.8	-62.4	177.1	-178.6	0	0	112.5	S314	S314-E316 PolarHBondContact O-N 3.02Å; S314-E316 PolarHBondContact OG-N 2.92Å
317	K	98.5	Very high	98.2	Very high	84 Å²	84	44.2 Å²	44.2	37%	0.365	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-31.6	-176.5	-69.5	-179.2	-180	178.1	0	113.2	E313 S314 R344 E347	E313-K317 HydrophobicContact CB-CB 4.32Å; E313-K317 HydrophobicContact CG-CB 3.97Å; S314-K317 PolarHBondContact O-N 2.81Å; S314-K317 PolarHBondContact OG-N 3.1Å; K317-R344 WeakPolarHBondContact CD-O 3.42Å; K317-E347 IonicContact NZ-OE2 3.92Å; K317-E347 PolarHBondContact NZ-OE2 3.49Å
318	M	98.6	Very high	98.1	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.02	24%	0.241	C	C	.	.			trans	-63.3	154.8	-174.7	72.9	81.6	66.2	0	0	112.6	V268 E313 S314 V320 R446 Y449	V268-M318 HydrophobicContact CB-CE 3.87Å; V268-M318 HydrophobicContact CG1-CE 3.93Å; E313-M318 HydrophobicContact CG-CB 3.84Å; E313-M318 WeakPolarHBondContact OE1-CA 3.48Å; S314-M318 PolarHBondContact O-N 3.04Å; M318-V320 HydrophobicContact CE-CG1 3.73Å; M318-V320 HydrophobicContact SD-CG1 3.53Å; M318-V320 VanDerWaalsContact SD-CG1 3.53Å; M318-R446 HydrophobicContact CG-CG 4.13Å; M318-R446 PolarHBondContact O-NH1 3.16Å; M318-R446 HydrophobicContact SD-CB 4.07Å; M318-R446 HydrophobicContact SD-CG 3.79Å; M318-R446 PolarHBondContact SD-NH1 2.94Å; M318-R446 VanDerWaalsContact SD-NH1 3.35Å; M318-Y449 HydrophobicContact CB-CD1 3.55Å; M318-Y449 HydrophobicContact CB-CE1 3.57Å; M318-Y449 HydrophobicContact CB-CG 4.43Å; M318-Y449 HydrophobicContact CE-CD1 3.84Å; M318-Y449 HydrophobicContact CE-CD2 3.98Å; M318-Y449 HydrophobicContact CE-CE1 4.5Å; M318-Y449 HydrophobicContact CE-CG 3.54Å; M318-Y449 HydrophobicContact CG-CD1 3.77Å; M318-Y449 HydrophobicContact CG-CE1 4.31Å; M318-Y449 HydrophobicContact CG-CG 4.39Å
319	K	98.8	Very high	98.1	Very high	92 Å²	92	45.8 Å²	45.8	40%	0.4	24%	0.243	S	C	.	.			trans	-111.9	144.7	179.2	-65.8	-173.4	179.8	163.1	0	111.6	Q269 D341	Q269-K319 HydrophobicContact CB-CB 4.11Å; Q269-K319 HydrophobicContact CG-CB 3.98Å; Q269-K319 PolarHBondContact N-O 3.06Å; K319-D341 WeakPolarHBondContact CE-OD2 3.41Å; K319-D341 IonicContact NZ-OD2 2.9Å; K319-D341 PolarHBondContact NZ-OD2 2.92Å
320	V	98.6	Very high	98	Very high	14 Å²	14	48.2 Å²	48.2	9%	0.085	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-123.7	159.6	174.7	-57.9	0	0	0	0	109.9	I266 V268 M318 D322 E442	I266-V320 HydrophobicContact CD1-CB 3.84Å; I266-V320 HydrophobicContact CD1-CG1 4.46Å; I266-V320 HydrophobicContact CD1-CG2 3.97Å; I266-V320 HydrophobicContact CG1-CB 4.32Å; V268-V320 HydrophobicContact CG1-CG1 4.13Å; M318-V320 HydrophobicContact CE-CG1 3.73Å; M318-V320 HydrophobicContact SD-CG1 3.53Å; M318-V320 VanDerWaalsContact SD-CG1 3.53Å; V320-D322 HydrophobicContact CG2-CB 4.32Å; V320-D322 PolarHBondContact O-N 2.89Å; V320-E442 HydrophobicContact CG2-CG 4.14Å
321	Q	98.5	Very high	97.5	Very high	17 Å²	17	53.9 Å²	53.9	8%	0.079	30%	0.297	C	S	.	.			trans	-97.8	62.8	174.7	-59.2	-57.3	125.9	0	0	111.1	P267 S323 W324 V325 F338	P267-Q321 HydrophobicContact CB-CB 3.9Å; P267-Q321 HydrophobicContact CB-CG 3.99Å; P267-Q321 HydrophobicContact CG-CB 4.07Å; P267-Q321 PolarHBondContact O-N 3.35Å; Q321-S323 VanDerWaalsContact C-N 3.25Å; Q321-S323 PolarHBondContact O-N 3.27Å; Q321-W324 HydrophobicContact CB-CB 3.91Å; Q321-W324 HydrophobicContact CB-CD2 3.84Å; Q321-W324 HydrophobicContact CB-CE3 4.2Å; Q321-W324 HydrophobicContact CB-CG 3.71Å; Q321-W324 HydrophobicContact CG-CD2 4Å; Q321-W324 HydrophobicContact CG-CE3 4.19Å; Q321-W324 HydrophobicContact CG-CG 4.34Å; Q321-W324 WeakPolarHBondContact O-CB 3.45Å; Q321-W324 PolarHBondContact O-N 2.99Å; Q321-V325 PolarHBondContact O-N 3.38Å; Q321-F338 VanDerWaalsContact CD-CZ 3.49Å; Q321-F338 HydrophobicContact CG-CE2 4.36Å; Q321-F338 HydrophobicContact CG-CZ 3.75Å
322	D	96	Very high	97.2	Very high	80 Å²	80	57 Å²	57	43%	0.428	33%	0.329	S	S	.	.	H	α-helix	trans	-55.7	-39.1	173.2	63.2	-21.1	0	0	0	112.7	V320 W324 V325 T326	V320-D322 HydrophobicContact CG2-CB 4.32Å; V320-D322 PolarHBondContact O-N 2.89Å; D322-W324 PolarHBondContact O-N 2.88Å; D322-V325 WeakPolarHBondContact O-CB 3.31Å; D322-V325 PolarHBondContact O-N 3.49Å; D322-V325 VanDerWaalsContact O-N 3.14Å; D322-T326 PolarHBondContact O-N 3.3Å; D322-T326 PolarHBondContact O-OG1 3.14Å
323	S	97.7	Very high	97.2	Very high	49 Å²	49	57.1 Å²	57.1	34%	0.343	33%	0.33	S	S	.	.	H	α-helix	trans	-60.1	-32.3	174.9	57.5	0	0	0	0	112.5	Q321 N327	Q321-S323 VanDerWaalsContact C-N 3.25Å; Q321-S323 PolarHBondContact O-N 3.27Å; S323-N327 VanDerWaalsContact O-CB 3.32Å; S323-N327 WeakPolarHBondContact O-CB 3.47Å; S323-N327 PolarHBondContact O-N 3.36Å; S323-N327 PolarHBondContact O-ND2 3.4Å
324	W	98.5	Very high	96.9	Very high	24 Å²	24	58.3 Å²	58.3	9%	0.091	34%	0.342	C	S	.	.	H	α-helix	trans	-78.6	-28.8	178	-65.9	13.7	0	0	0	112	F250 P267 Q321 D322 G328 V329 P330 F333 F338 P371	F250-W324 HydrophobicContact CD2-CE3 4.35Å; F250-W324 AromaticContact CD2-CZ3 3.89Å; F250-W324 HydrophobicContact CD2-CZ3 3.89Å; F250-W324 AromaticContact CE2-CZ3 3.99Å; F250-W324 HydrophobicContact CE2-CZ3 3.99Å; F250-W324 HydrophobicContact CG-CZ3 4.42Å; P267-W324 HydrophobicContact CB-CE3 4.19Å; P267-W324 HydrophobicContact CG-CB 4.43Å; P267-W324 HydrophobicContact CG-CE3 3.86Å; Q321-W324 HydrophobicContact CB-CB 3.91Å; Q321-W324 HydrophobicContact CB-CD2 3.84Å; Q321-W324 HydrophobicContact CB-CE3 4.2Å; Q321-W324 HydrophobicContact CB-CG 3.71Å; Q321-W324 HydrophobicContact CG-CD2 4Å; Q321-W324 HydrophobicContact CG-CE3 4.19Å; Q321-W324 HydrophobicContact CG-CG 4.34Å; Q321-W324 WeakPolarHBondContact O-CB 3.45Å; Q321-W324 PolarHBondContact O-N 2.99Å; D322-W324 PolarHBondContact O-N 2.88Å; W324-G328 WeakPolarHBondContact CA-O 2.98Å; W324-G328 CarbonylContact O-C 3.53Å; W324-G328 VanDerWaalsContact O-C 3.28Å; W324-G328 WeakPolarHBondContact O-CA 3.29Å; W324-G328 PolarHBondContact O-N 3.37Å; W324-V329 HydrophobicContact CD2-CG1 4.4Å; W324-V329 HydrophobicContact CE3-CB 4.45Å; W324-V329 HydrophobicContact CE3-CG1 3.99Å; W324-V329 HydrophobicContact CE3-CG2 4Å; W324-V329 HydrophobicContact CH2-CG1 4.49Å; W324-V329 HydrophobicContact CZ3-CG1 4.05Å; W324-P330 HydrophobicContact CZ2-CG 4.46Å; W324-F333 AromaticContact CH2-CD1 3.87Å; W324-F333 HydrophobicContact CH2-CD1 3.87Å; W324-F333 AromaticContact CH2-CD2 3.86Å; W324-F333 HydrophobicContact CH2-CD2 3.86Å; W324-F333 AromaticContact CH2-CE1 3.75Å; W324-F333 HydrophobicContact CH2-CE1 3.75Å; W324-F333 AromaticContact CH2-CE2 3.73Å; W324-F333 HydrophobicContact CH2-CE2 3.73Å; W324-F333 AromaticContact CH2-CG 3.93Å; W324-F333 HydrophobicContact CH2-CG 3.93Å; W324-F333 AromaticContact CH2-CZ 3.68Å; W324-F333 HydrophobicContact CH2-CZ 3.68Å; W324-F333 HydrophobicContact CZ2-CD2 4Å; W324-F333 HydrophobicContact CZ2-CE2 4.01Å; W324-F333 HydrophobicContact CZ2-CG 4.37Å; W324-F333 HydrophobicContact CZ2-CZ 4.4Å; W324-F333 HydrophobicContact CZ3-CD1 4.44Å; W324-F333 HydrophobicContact CZ3-CE1 4.4Å; W324-F338 AromaticContact CH2-CE1 3.81Å; W324-F338 HydrophobicContact CH2-CE1 3.81Å; W324-F338 AromaticContact CH2-CZ 3.59Å; W324-F338 HydrophobicContact CH2-CZ 3.59Å; W324-F338 AromaticContact CZ2-CE1 3.56Å; W324-F338 HydrophobicContact CZ2-CE1 3.56Å; W324-F338 AromaticContact CZ2-CZ 3.75Å; W324-F338 HydrophobicContact CZ2-CZ 3.75Å; W324-F338 HydrophobicContact CZ3-CZ 4.27Å; W324-P371 HydrophobicContact CH2-CG 4.49Å; W324-P371 HydrophobicContact CZ3-CB 4.22Å; W324-P371 HydrophobicContact CZ3-CG 4.41Å
325	V	97.9	Very high	96.6	Very high	18 Å²	18	60.2 Å²	60.2	11%	0.109	35%	0.345	C	S	.	.	H	α-helix	trans	-68.9	-39.6	171.7	176.4	0	0	0	0	110.6	I266 Q321 D322 T438	I266-V325 HydrophobicContact CB-CG2 4.02Å; I266-V325 HydrophobicContact CD1-CG2 4.13Å; I266-V325 HydrophobicContact CG1-CG2 3.72Å; Q321-V325 PolarHBondContact O-N 3.38Å; D322-V325 WeakPolarHBondContact O-CB 3.31Å; D322-V325 PolarHBondContact O-N 3.49Å; D322-V325 VanDerWaalsContact O-N 3.14Å; V325-T438 HydrophobicContact CG1-CG2 3.79Å
326	T	96.4	Very high	96.5	Very high	105 Å²	105	61.5 Å²	61.5	64%	0.644	35%	0.351	S	S	*	.	H	α-helix	trans	-77.4	-50.7	-176.8	-54.7	0	0	0	0	112.2	D322	D322-T326 PolarHBondContact O-N 3.3Å; D322-T326 PolarHBondContact O-OG1 3.14Å
327	N	97.4	Very high	96.5	Very high	138 Å²	138	55.8 Å²	55.8	74%	0.738	33%	0.325	S	S	*	.	H	α-helix	trans	-102.9	-4	-171.5	-57.2	-51.3	0	0	0	113.9	S323	S323-N327 VanDerWaalsContact O-CB 3.32Å; S323-N327 WeakPolarHBondContact O-CB 3.47Å; S323-N327 PolarHBondContact O-N 3.36Å; S323-N327 PolarHBondContact O-ND2 3.4Å
328	G	97.1	Very high	96.5	Very high	23 Å²	23	53.5 Å²	53.5	24%	0.237	32%	0.315	C	S	.	.			trans	84	167.1	-169.2	0	0	0	0	0	112.3	W324	W324-G328 WeakPolarHBondContact CA-O 2.98Å; W324-G328 CarbonylContact O-C 3.53Å; W324-G328 VanDerWaalsContact O-C 3.28Å; W324-G328 WeakPolarHBondContact O-CA 3.29Å; W324-G328 PolarHBondContact O-N 3.37Å
329	V	98.2	Very high	96.5	Very high	11 Å²	11	61.7 Å²	61.7	7%	0.067	35%	0.354	C	S	.	.	S	Bend	trans	-74.4	137.6	178	-178.4	0	0	0	0	108.7	F250 W251 W324 F333	F250-V329 HydrophobicContact CD2-CG1 4.04Å; F250-V329 HydrophobicContact CD2-CG2 4Å; F250-V329 HydrophobicContact CE2-CG1 3.92Å; W251-V329 HydrophobicContact CG-CG2 4.45Å; W251-V329 HydrophobicContact CZ2-CG1 4.17Å; W324-V329 HydrophobicContact CD2-CG1 4.4Å; W324-V329 HydrophobicContact CE3-CB 4.45Å; W324-V329 HydrophobicContact CE3-CG1 3.99Å; W324-V329 HydrophobicContact CE3-CG2 4Å; W324-V329 HydrophobicContact CH2-CG1 4.49Å; W324-V329 HydrophobicContact CZ3-CG1 4.05Å; V329-F333 HydrophobicContact CG1-CB 4.23Å
330	P	98.2	Very high	96.4	Very high	59 Å²	59	60 Å²	60	38%	0.383	35%	0.354	S	S	.	.			trans	-53.2	125.9	177.3	-28.3	36	0	0	0	112.4	W324 G332 F333	W324-P330 HydrophobicContact CZ2-CG 4.46Å; P330-G332 PolarHBondContact O-N 2.86Å; P330-F333 WeakPolarHBondContact O-CB 3.4Å; P330-F333 PolarHBondContact O-N 2.94Å
331	P	86.6	Confident	96.4	Very high	120 Å²	120	61 Å²	61	78%	0.779	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20	-169.4	-31.4	36.3	0	0	0	117.2	K81	K81-P331 PolarHBondContact NZ-O 2.79Å
332	G	93.5	Very high	96.3	Very high	66 Å²	66	62.2 Å²	62.2	68%	0.68	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-12	177.5	0	0	0	0	0	115.7	P330 G334	P330-G332 PolarHBondContact O-N 2.86Å; G332-G334 PolarHBondContact O-N 2.98Å
333	F	97.3	Very high	96.5	Very high	11 Å²	11	64.9 Å²	64.9	5%	0.048	38%	0.38	C	S	.	.			trans	-63.2	135.4	-172.6	-163.8	-87.4	0	0	0	111.3	F250 W251 W324 V329 P330 E336 F338 P371	F250-F333 AromaticContact CE2-CD1 3.83Å; F250-F333 HydrophobicContact CE2-CD1 3.83Å; F250-F333 HydrophobicContact CE2-CE1 4.22Å; F250-F333 AromaticContact CZ-CD1 3.7Å; F250-F333 HydrophobicContact CZ-CD1 3.7Å; F250-F333 AromaticContact CZ-CE1 3.75Å; F250-F333 HydrophobicContact CZ-CE1 3.75Å; W251-F333 VanDerWaalsContact CZ2-O 3.25Å; W251-F333 WeakPolarHBondContact CZ2-O 3.14Å; W324-F333 AromaticContact CH2-CD1 3.87Å; W324-F333 HydrophobicContact CH2-CD1 3.87Å; W324-F333 AromaticContact CH2-CD2 3.86Å; W324-F333 HydrophobicContact CH2-CD2 3.86Å; W324-F333 AromaticContact CH2-CE1 3.75Å; W324-F333 HydrophobicContact CH2-CE1 3.75Å; W324-F333 AromaticContact CH2-CE2 3.73Å; W324-F333 HydrophobicContact CH2-CE2 3.73Å; W324-F333 AromaticContact CH2-CG 3.93Å; W324-F333 HydrophobicContact CH2-CG 3.93Å; W324-F333 AromaticContact CH2-CZ 3.68Å; W324-F333 HydrophobicContact CH2-CZ 3.68Å; W324-F333 HydrophobicContact CZ2-CD2 4Å; W324-F333 HydrophobicContact CZ2-CE2 4.01Å; W324-F333 HydrophobicContact CZ2-CG 4.37Å; W324-F333 HydrophobicContact CZ2-CZ 4.4Å; W324-F333 HydrophobicContact CZ3-CD1 4.44Å; W324-F333 HydrophobicContact CZ3-CE1 4.4Å; V329-F333 HydrophobicContact CG1-CB 4.23Å; P330-F333 WeakPolarHBondContact O-CB 3.4Å; P330-F333 PolarHBondContact O-N 2.94Å; F333-E336 HydrophobicContact CD2-CB 4.02Å; F333-E336 HydrophobicContact CD2-CG 4.16Å; F333-E336 HydrophobicContact CE1-CB 4.37Å; F333-E336 HydrophobicContact CE2-CB 3.74Å; F333-E336 HydrophobicContact CE2-CG 3.83Å; F333-E336 HydrophobicContact CG-CB 4.47Å; F333-E336 HydrophobicContact CZ-CB 3.93Å; F333-E336 HydrophobicContact CZ-CG 4.42Å; F333-E336 WeakPolarHBondContact CZ-O 3.08Å; F333-F338 HydrophobicContact CE2-CE1 4.32Å; F333-F338 HydrophobicContact CZ-CE1 4.48Å; F333-P371 HydrophobicContact CE1-CG 3.92Å; F333-P371 HydrophobicContact CZ-CG 4.12Å
334	G	92.5	Very high	96.5	Very high	24 Å²	24	63.5 Å²	63.5	25%	0.247	37%	0.367	C	S	.	.	S	Bend	trans	161.3	134.1	179.4	0	0	0	0	0	111.2	G332 E336	G332-G334 PolarHBondContact O-N 2.98Å; G334-E336 PolarHBondContact O-N 3.05Å
335	K	92.8	Very high	96.5	Very high	84 Å²	84	62.4 Å²	62.4	37%	0.365	36%	0.362	S	S	.	.	S	Bend	trans	48.9	39.6	-164.9	-77.9	-160.7	-177.8	156.3	0	113.6	E83 A86 W90	E83-K335 VanDerWaalsContact CD-CE 3.45Å; E83-K335 WeakPolarHBondContact OE1-CD 3.46Å; E83-K335 WeakPolarHBondContact OE1-CE 3.31Å; E83-K335 IonicContact OE1-NZ 3.33Å; E83-K335 PolarHBondContact OE1-NZ 3.07Å; E83-K335 IonicContact OE2-NZ 2.99Å; E83-K335 PolarHBondContact OE2-NZ 2.77Å; A86-K335 HydrophobicContact CB-CG 4.35Å; A86-K335 PolarHBondContact O-N 2.99Å; W90-K335 HydrophobicContact CG-CG 4.29Å
336	E	95.4	Very high	96.5	Very high	98 Å²	98	64.8 Å²	64.8	46%	0.458	37%	0.373	S	S	.	.			trans	-125.4	152.1	-177.2	-166.4	179.1	142.3	0	0	109.6	F333 G334	F333-E336 HydrophobicContact CD2-CB 4.02Å; F333-E336 HydrophobicContact CD2-CG 4.16Å; F333-E336 HydrophobicContact CE1-CB 4.37Å; F333-E336 HydrophobicContact CE2-CB 3.74Å; F333-E336 HydrophobicContact CE2-CG 3.83Å; F333-E336 HydrophobicContact CG-CB 4.47Å; F333-E336 HydrophobicContact CZ-CB 3.93Å; F333-E336 HydrophobicContact CZ-CG 4.42Å; F333-E336 WeakPolarHBondContact CZ-O 3.08Å; G334-E336 PolarHBondContact O-N 3.05Å
337	L	97.7	Very high	96.6	Very high	51 Å²	51	65.1 Å²	65.1	27%	0.267	37%	0.367	S	S	.	.			trans	-121.8	158.5	177	-66.3	175.5	0	0	0	109.5	W90 H91 V368 N369	W90-L337 HydrophobicContact CH2-CD1 3.8Å; W90-L337 HydrophobicContact CH2-CD2 3.95Å; W90-L337 HydrophobicContact CH2-CG 3.64Å; W90-L337 HydrophobicContact CZ2-CD1 4.37Å; W90-L337 HydrophobicContact CZ2-CD2 3.72Å; W90-L337 HydrophobicContact CZ2-CG 3.7Å; H91-L337 HydrophobicContact CB-CD2 3.77Å; L337-V368 HydrophobicContact CD1-CB 4.38Å; L337-V368 HydrophobicContact CD1-CG1 3.86Å; L337-V368 HydrophobicContact CD1-CG2 4.32Å; L337-V368 HydrophobicContact CD2-CG1 3.75Å; L337-V368 HydrophobicContact CG-CG1 4.47Å; L337-N369 WeakPolarHBondContact CB-O 3.44Å
338	F	98.3	Very high	96.7	Very high	35 Å²	35	59.4 Å²	59.4	15%	0.154	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-75.6	161.8	166.6	-57.9	-57.9	0	0	0	110.6	Q269 Q321 W324 F333 N369 P371	Q269-F338 HydrophobicContact CB-CD2 4.5Å; Q269-F338 HydrophobicContact CG-CD2 3.71Å; Q269-F338 HydrophobicContact CG-CE2 3.76Å; Q269-F338 HydrophobicContact CG-CG 4.49Å; Q321-F338 VanDerWaalsContact CD-CZ 3.49Å; Q321-F338 HydrophobicContact CG-CE2 4.36Å; Q321-F338 HydrophobicContact CG-CZ 3.75Å; W324-F338 AromaticContact CH2-CE1 3.81Å; W324-F338 HydrophobicContact CH2-CE1 3.81Å; W324-F338 AromaticContact CH2-CZ 3.59Å; W324-F338 HydrophobicContact CH2-CZ 3.59Å; W324-F338 AromaticContact CZ2-CE1 3.56Å; W324-F338 HydrophobicContact CZ2-CE1 3.56Å; W324-F338 AromaticContact CZ2-CZ 3.75Å; W324-F338 HydrophobicContact CZ2-CZ 3.75Å; W324-F338 HydrophobicContact CZ3-CZ 4.27Å; F333-F338 HydrophobicContact CE2-CE1 4.32Å; F333-F338 HydrophobicContact CZ-CE1 4.48Å; F338-N369 HydrophobicContact CB-CB 4.11Å; F338-N369 WeakPolarHBondContact CB-ND2 3.38Å; F338-N369 PolarHBondContact N-O 3.19Å; F338-P371 HydrophobicContact CE2-CB 3.77Å; F338-P371 HydrophobicContact CE2-CG 4.11Å; F338-P371 HydrophobicContact CZ-CB 4.02Å; F338-P371 HydrophobicContact CZ-CG 4.28Å
339	E	98.1	Very high	96.8	Very high	177 Å²	177	59 Å²	59	83%	0.827	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-59.4	138.6	166.3	-169.7	176.4	-176.4	0	0	110.1	N369	E339-N369 PolarHBondContact O-ND2 2.91Å
340	S	98	Very high	96.8	Very high	57 Å²	57	63.7 Å²	63.7	40%	0.399	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-67.9	149.9	176.4	62.2	0	0	0	0	111.6
341	D	98.3	Very high	96.8	Very high	33 Å²	33	62.4 Å²	62.4	18%	0.176	34%	0.344	C	S	.	.			trans	-141.3	77.5	-179	-179.5	-0.2	0	0	0	108.4	Q271 K319 D343 R344	Q271-D341 PolarHBondContact NE2-O 3.5Å; K319-D341 WeakPolarHBondContact CE-OD2 3.41Å; K319-D341 IonicContact NZ-OD2 2.9Å; K319-D341 PolarHBondContact NZ-OD2 2.92Å; D341-D343 VanDerWaalsContact C-N 3.27Å; D341-D343 PolarHBondContact O-N 2.99Å; D341-R344 HydrophobicContact CB-CG 4.38Å; D341-R344 PolarHBondContact OD1-N 3.15Å; D341-R344 WeakPolarHBondContact OD2-CD 3.49Å; D341-R344 IonicContact OD2-NH1 3.26Å; D341-R344 PolarHBondContact OD2-NH1 2.97Å; D341-R344 VanDerWaalsContact OD2-NH1 3.15Å
342	L	97.4	Very high	97.4	Very high	44 Å²	44	56.7 Å²	56.7	23%	0.23	31%	0.307	C	S	.	.	S	Bend	trans	-67.5	-32.8	-177.1	-76.5	75.9	0	0	0	111.2	R344 I345 M346 I364 V367	L342-R344 VanDerWaalsContact C-N 3.29Å; L342-R344 PolarHBondContact O-N 3.13Å; L342-I345 CarbonylContact O-C 3.52Å; L342-I345 WeakPolarHBondContact O-CG1 3.28Å; L342-I345 PolarHBondContact O-N 3.27Å; L342-M346 HydrophobicContact CB-CE 4.15Å; L342-M346 PolarHBondContact O-N 2.78Å; L342-I364 HydrophobicContact CD2-CD1 3.68Å; L342-V367 HydrophobicContact CD1-CB 4.11Å; L342-V367 HydrophobicContact CD1-CG1 4.04Å; L342-V367 HydrophobicContact CD1-CG2 3.69Å; L342-V367 HydrophobicContact CD2-CG2 4.22Å; L342-V367 HydrophobicContact CG-CG2 4.07Å
343	D	98.4	Very high	97.7	Very high	136 Å²	136	56 Å²	56	73%	0.727	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-59.3	-40.5	-175.4	-71.9	-0.5	0	0	0	111.6	D341 I345 M346	D341-D343 VanDerWaalsContact C-N 3.27Å; D341-D343 PolarHBondContact O-N 2.99Å; D343-I345 PolarHBondContact O-N 3.04Å; D343-M346 PolarHBondContact O-N 2.69Å
344	R	98.5	Very high	97.7	Very high	20 Å²	20	60.5 Å²	60.5	8%	0.075	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-67	-19	178.5	84.2	173.1	-175.8	-119.4	6.2	113.9	Q269 Q271 E313 K317 D341 L342	Q269-R344 VanDerWaalsContact OE1-NH1 3.1Å; Q271-R344 VanDerWaalsContact NE2-CZ 3.27Å; E313-R344 IonicContact OE1-CZ 2.71Å; E313-R344 IonicContact OE1-NE 2.68Å; E313-R344 PolarHBondContact OE1-NE 3.46Å; E313-R344 IonicContact OE1-NH2 3.72Å; K317-R344 WeakPolarHBondContact CD-O 3.42Å; D341-R344 HydrophobicContact CB-CG 4.38Å; D341-R344 PolarHBondContact OD1-N 3.15Å; D341-R344 WeakPolarHBondContact OD2-CD 3.49Å; D341-R344 IonicContact OD2-NH1 3.26Å; D341-R344 PolarHBondContact OD2-NH1 2.97Å; D341-R344 VanDerWaalsContact OD2-NH1 3.15Å; L342-R344 VanDerWaalsContact C-N 3.29Å; L342-R344 PolarHBondContact O-N 3.13Å
345	I	98.6	Very high	98	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-112	4.3	-177.6	64.2	169.5	0	0	0	113.6	Q271 V273 P311 E313 L342 D343 E347 H348 I349	Q271-I345 HydrophobicContact CB-CD1 4.21Å; V273-I345 HydrophobicContact CG2-CD1 4.26Å; P311-I345 HydrophobicContact CG-CB 3.74Å; P311-I345 HydrophobicContact CG-CD1 3.82Å; P311-I345 HydrophobicContact CG-CG1 4.32Å; P311-I345 HydrophobicContact CG-CG2 3.93Å; E313-I345 HydrophobicContact CB-CG2 4.17Å; E313-I345 HydrophobicContact CG-CG2 4.3Å; L342-I345 CarbonylContact O-C 3.52Å; L342-I345 WeakPolarHBondContact O-CG1 3.28Å; L342-I345 PolarHBondContact O-N 3.27Å; D343-I345 PolarHBondContact O-N 3.04Å; I345-E347 VanDerWaalsContact C-N 3.3Å; I345-E347 PolarHBondContact O-N 3.46Å; I345-H348 WeakPolarHBondContact O-CB 3.24Å; I345-H348 PolarHBondContact O-N 3.21Å; I345-I349 HydrophobicContact CD1-CD1 4.14Å; I345-I349 HydrophobicContact CD1-CG1 4.49Å; I345-I349 HydrophobicContact CG1-CD1 3.98Å; I345-I349 HydrophobicContact CG1-CG1 4.38Å; I345-I349 PolarHBondContact O-N 2.71Å
346	M	98.5	Very high	98.3	Very high	68 Å²	68	56.4 Å²	56.4	34%	0.335	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-37.6	-170.6	-164.2	60.9	66.4	0	0	113.6	L342 D343 H348 I349 E350	L342-M346 HydrophobicContact CB-CE 4.15Å; L342-M346 PolarHBondContact O-N 2.78Å; D343-M346 PolarHBondContact O-N 2.69Å; M346-H348 PolarHBondContact O-N 3.31Å; M346-I349 HydrophobicContact CE-CD1 4.42Å; M346-I349 WeakPolarHBondContact O-CB 3.41Å; M346-I349 PolarHBondContact O-N 2.7Å; M346-I349 HydrophobicContact SD-CB 4.23Å; M346-I349 HydrophobicContact SD-CD1 4.05Å; M346-I349 HydrophobicContact SD-CG2 4.38Å; M346-E350 WeakPolarHBondContact O-CG 3.39Å; M346-E350 PolarHBondContact O-N 3.11Å
347	E	98.5	Very high	98.5	Very high	112 Å²	112	54.3 Å²	54.3	52%	0.523	28%	0.279	S	S	.	.	H	α-helix	trans	-54.7	-38.4	174.7	179.3	-179.6	175.4	0	0	112.4	K317 I345 A351	K317-E347 IonicContact NZ-OE2 3.92Å; K317-E347 PolarHBondContact NZ-OE2 3.49Å; I345-E347 VanDerWaalsContact C-N 3.3Å; I345-E347 PolarHBondContact O-N 3.46Å; E347-A351 PolarHBondContact O-N 3.3Å; E347-A351 VanDerWaalsContact O-N 3.14Å
348	H	98.8	Very high	98.5	Very high	19 Å²	19	52.9 Å²	52.9	9%	0.088	27%	0.272	C	S	.	.	H	α-helix	trans	-79.8	-30.4	178.9	-55.6	-82.8	0	0	0	112	G296 P311 E313 I345 M346 E350 A351 A352	G296-H348 PolarHBondContact O-ND1 3Å; P311-H348 HydrophobicContact CB-CB 3.39Å; P311-H348 HydrophobicContact CG-CB 4.16Å; E313-H348 WeakPolarHBondContact CA-NE2 3.41Å; I345-H348 WeakPolarHBondContact O-CB 3.24Å; I345-H348 PolarHBondContact O-N 3.21Å; M346-H348 PolarHBondContact O-N 3.31Å; H348-E350 VanDerWaalsContact C-N 3.35Å; H348-A351 PolarHBondContact O-N 3.16Å; H348-A352 WeakPolarHBondContact O-CB 3.42Å; H348-A352 PolarHBondContact O-N 3.22Å
349	I	98.7	Very high	98.6	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-43.7	171.4	-62.9	174.2	0	0	0	109.7	F309 I345 M346 A352 M353	F309-I349 HydrophobicContact CE2-CB 4.35Å; F309-I349 HydrophobicContact CE2-CG1 3.85Å; F309-I349 HydrophobicContact CE2-CG2 4.5Å; F309-I349 HydrophobicContact CZ-CB 4.47Å; F309-I349 HydrophobicContact CZ-CG1 4.06Å; F309-I349 HydrophobicContact CZ-CG2 4.15Å; I345-I349 HydrophobicContact CD1-CD1 4.14Å; I345-I349 HydrophobicContact CD1-CG1 4.49Å; I345-I349 HydrophobicContact CG1-CD1 3.98Å; I345-I349 HydrophobicContact CG1-CG1 4.38Å; I345-I349 PolarHBondContact O-N 2.71Å; M346-I349 HydrophobicContact CE-CD1 4.42Å; M346-I349 WeakPolarHBondContact O-CB 3.41Å; M346-I349 PolarHBondContact O-N 2.7Å; M346-I349 HydrophobicContact SD-CB 4.23Å; M346-I349 HydrophobicContact SD-CD1 4.05Å; M346-I349 HydrophobicContact SD-CG2 4.38Å; I349-A352 PolarHBondContact O-N 2.8Å; I349-M353 HydrophobicContact CG2-CE 4.17Å; I349-M353 WeakPolarHBondContact O-CG 3.35Å; I349-M353 PolarHBondContact O-N 2.76Å
350	E	98.8	Very high	98.6	Very high	111 Å²	111	48.3 Å²	48.3	52%	0.519	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-46.2	174.7	-69.5	174.9	156.2	0	0	111.6	M346 H348 A352 M353 E354	M346-E350 WeakPolarHBondContact O-CG 3.39Å; M346-E350 PolarHBondContact O-N 3.11Å; H348-E350 VanDerWaalsContact C-N 3.35Å; E350-A352 VanDerWaalsContact C-N 3.35Å; E350-A352 PolarHBondContact O-N 2.91Å; E350-M353 HydrophobicContact CB-CE 4.44Å; E350-M353 HydrophobicContact CG-CE 4.08Å; E350-M353 PolarHBondContact O-N 2.7Å; E350-E354 PolarHBondContact O-N 2.99Å
351	A	98.7	Very high	98.6	Very high	32 Å²	32	53.9 Å²	53.9	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-59.2	-43.9	174.4	0	0	0	0	0	112.4	Y298 E347 H348 M353 E354 M355	Y298-A351 HydrophobicContact CE1-CB 4.26Å; E347-A351 PolarHBondContact O-N 3.3Å; E347-A351 VanDerWaalsContact O-N 3.14Å; H348-A351 PolarHBondContact O-N 3.16Å; A351-M353 PolarHBondContact O-N 2.88Å; A351-E354 PolarHBondContact O-N 2.94Å; A351-M355 WeakPolarHBondContact O-CB 3.36Å; A351-M355 PolarHBondContact O-N 3.06Å
352	A	98.8	Very high	98.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-42	176.2	0	0	0	0	0	112.1	Y298 F309 H348 I349 E350 E354 M355 V356 L359	Y298-A352 HydrophobicContact CD1-CB 4.25Å; Y298-A352 HydrophobicContact CD2-CB 4.18Å; Y298-A352 HydrophobicContact CE1-CB 3.92Å; Y298-A352 HydrophobicContact CE2-CB 3.82Å; Y298-A352 HydrophobicContact CG-CB 4.42Å; Y298-A352 VanDerWaalsContact CZ-CA 3.5Å; F309-A352 HydrophobicContact CD2-CB 3.97Å; F309-A352 HydrophobicContact CE2-CB 3.99Å; H348-A352 WeakPolarHBondContact O-CB 3.42Å; H348-A352 PolarHBondContact O-N 3.22Å; I349-A352 PolarHBondContact O-N 2.8Å; E350-A352 VanDerWaalsContact C-N 3.35Å; E350-A352 PolarHBondContact O-N 2.91Å; A352-E354 VanDerWaalsContact C-N 3.33Å; A352-E354 PolarHBondContact O-N 3.19Å; A352-M355 PolarHBondContact O-N 2.85Å; A352-V356 PolarHBondContact O-N 3.25Å; A352-L359 HydrophobicContact CB-CD1 4.04Å
353	M	98.9	Very high	98.6	Very high	52 Å²	52	56.8 Å²	56.8	26%	0.256	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-35.4	175.5	-76.2	-170.4	-61.8	0	0	113	I349 E350 A351 V356 P357 L359 K360	I349-M353 HydrophobicContact CG2-CE 4.17Å; I349-M353 WeakPolarHBondContact O-CG 3.35Å; I349-M353 PolarHBondContact O-N 2.76Å; E350-M353 HydrophobicContact CB-CE 4.44Å; E350-M353 HydrophobicContact CG-CE 4.08Å; E350-M353 PolarHBondContact O-N 2.7Å; A351-M353 PolarHBondContact O-N 2.88Å; M353-V356 CarbonylContact O-C 3.52Å; M353-P357 VanDerWaalsContact O-CA 3.31Å; M353-P357 WeakPolarHBondContact O-CA 3.49Å; M353-L359 HydrophobicContact CG-CB 3.97Å; M353-K360 HydrophobicContact CB-CG 3.83Å; M353-K360 HydrophobicContact CG-CG 4.25Å; M353-K360 WeakPolarHBondContact O-CE 3.34Å; M353-K360 HydrophobicContact SD-CG 4.31Å
354	E	98.8	Very high	98.6	Very high	104 Å²	104	54 Å²	54	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-73.4	-38	175.8	-69.9	-50.6	135.9	0	0	112.8	N177 E350 A351 A352 K360	N177-E354 WeakPolarHBondContact CB-O 3.41Å; N177-E354 PolarHBondContact ND2-O 2.86Å; E350-E354 PolarHBondContact O-N 2.99Å; A351-E354 PolarHBondContact O-N 2.94Å; A352-E354 VanDerWaalsContact C-N 3.33Å; A352-E354 PolarHBondContact O-N 3.19Å; E354-K360 WeakPolarHBondContact OE1-CE 3.37Å; E354-K360 IonicContact OE1-NZ 2.83Å; E354-K360 PolarHBondContact OE1-NZ 3.05Å; E354-K360 IonicContact OE2-NZ 2.69Å; E354-K360 PolarHBondContact OE2-NZ 3.49Å
355	M	98.8	Very high	98.6	Very high	22 Å²	22	58.7 Å²	58.7	11%	0.108	30%	0.295	C	S	.	.	H	α-helix	trans	-75.9	-34.1	179.6	-171.5	57.2	71.4	0	0	112.5	L137 T139 L176 N177 V181 D293 Y298 A351 A352	L137-M355 HydrophobicContact CD1-CG 4.44Å; L137-M355 HydrophobicContact CD1-SD 4.31Å; T139-M355 HydrophobicContact CG2-CE 3.99Å; L176-M355 HydrophobicContact CD1-CG 3.59Å; L176-M355 HydrophobicContact CD1-SD 3.78Å; L176-M355 HydrophobicContact CG-SD 4.21Å; N177-M355 VanDerWaalsContact CB-O 3.24Å; N177-M355 WeakPolarHBondContact CB-O 3.37Å; N177-M355 PolarHBondContact N-O 3.42Å; V181-M355 HydrophobicContact CG2-SD 4.42Å; D293-M355 WeakPolarHBondContact OD2-CE 3.36Å; Y298-M355 WeakPolarHBondContact OH-CB 3.49Å; Y298-M355 WeakPolarHBondContact OH-CG 3.44Å; A351-M355 WeakPolarHBondContact O-CB 3.36Å; A351-M355 PolarHBondContact O-N 3.06Å; A352-M355 PolarHBondContact O-N 2.85Å
356	V	98.9	Very high	98.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-126.4	83.6	178	-175.6	0	0	0	0	109.1	F173 L176 L300 L307 A352 M353 V358 L359	F173-V356 HydrophobicContact CE1-CG1 4.32Å; F173-V356 HydrophobicContact CE1-CG2 4.22Å; F173-V356 HydrophobicContact CZ-CG2 4.49Å; L176-V356 HydrophobicContact CD1-CG2 3.99Å; L300-V356 HydrophobicContact CD1-CB 4.45Å; L300-V356 HydrophobicContact CD1-CG2 4.01Å; L307-V356 HydrophobicContact CD1-CG1 3.89Å; A352-V356 PolarHBondContact O-N 3.25Å; M353-V356 CarbonylContact O-C 3.52Å; V356-V358 HydrophobicContact CG1-CG2 3.76Å; V356-V358 PolarHBondContact O-N 3.36Å; V356-L359 HydrophobicContact CB-CD1 4.02Å; V356-L359 HydrophobicContact CB-CG 4.34Å; V356-L359 HydrophobicContact CG1-CD1 4.44Å; V356-L359 HydrophobicContact CG1-CG 4.31Å; V356-L359 WeakPolarHBondContact O-CB 3.46Å; V356-L359 PolarHBondContact O-N 3.38Å
357	P	98.8	Very high	98.5	Very high	55 Å²	55	60.3 Å²	60.3	36%	0.357	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58.8	-22.8	-166.3	-29.5	37.4	0	0	0	116.5	N177 M353 L359 K360	N177-P357 HydrophobicContact CB-CG 4.22Å; M353-P357 VanDerWaalsContact O-CA 3.31Å; M353-P357 WeakPolarHBondContact O-CA 3.49Å; P357-L359 PolarHBondContact O-N 3.41Å; P357-K360 WeakPolarHBondContact O-CB 3.29Å; P357-K360 WeakPolarHBondContact O-CG 3.2Å; P357-K360 PolarHBondContact O-N 3.4Å; P357-K360 VanDerWaalsContact O-N 3.14Å
358	V	98.8	Very high	98.5	Very high	20 Å²	20	55.3 Å²	55.3	12%	0.121	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-63.5	-23.6	176.2	-64	0	0	0	0	112.6	L175 I278 E280 L307 V356 K360 K361	L175-V358 HydrophobicContact CD1-CG2 4.26Å; I278-V358 HydrophobicContact CD1-CG2 4.31Å; I278-V358 HydrophobicContact CG2-CB 3.88Å; I278-V358 HydrophobicContact CG2-CG2 4.06Å; E280-V358 HydrophobicContact CB-CG1 4.09Å; E280-V358 HydrophobicContact CG-CG1 3.99Å; L307-V358 HydrophobicContact CD1-CG2 4.29Å; V356-V358 HydrophobicContact CG1-CG2 3.76Å; V356-V358 PolarHBondContact O-N 3.36Å; V358-K360 PolarHBondContact O-N 3.19Å; V358-K361 PolarHBondContact O-N 2.77Å
359	L	98.8	Very high	98.5	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.052	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.7	-27.5	174.5	-71.2	174.4	0	0	0	112.7	T275 I278 L300 L307 F309 A352 M353 V356 P357 K361 A362	T275-L359 HydrophobicContact CG2-CD2 3.71Å; I278-L359 HydrophobicContact CD1-CD2 4.3Å; L300-L359 HydrophobicContact CD1-CD1 4.07Å; L307-L359 HydrophobicContact CB-CD2 4.05Å; L307-L359 HydrophobicContact CD1-CD2 3.68Å; L307-L359 HydrophobicContact CD1-CG 4.01Å; L307-L359 HydrophobicContact CG-CD2 4.46Å; F309-L359 HydrophobicContact CD1-CD1 4.48Å; F309-L359 HydrophobicContact CD1-CD2 4.5Å; F309-L359 HydrophobicContact CE1-CD2 4.37Å; A352-L359 HydrophobicContact CB-CD1 4.04Å; M353-L359 HydrophobicContact CG-CB 3.97Å; V356-L359 HydrophobicContact CB-CD1 4.02Å; V356-L359 HydrophobicContact CB-CG 4.34Å; V356-L359 HydrophobicContact CG1-CD1 4.44Å; V356-L359 HydrophobicContact CG1-CG 4.31Å; V356-L359 WeakPolarHBondContact O-CB 3.46Å; V356-L359 PolarHBondContact O-N 3.38Å; P357-L359 PolarHBondContact O-N 3.41Å; L359-K361 PolarHBondContact O-N 3.06Å; L359-K361 VanDerWaalsContact O-N 3.07Å; L359-A362 PolarHBondContact O-N 3.29Å; L359-A362 VanDerWaalsContact O-N 3.13Å
360	K	98.7	Very high	98.5	Very high	106 Å²	106	53.8 Å²	53.8	46%	0.461	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-60.5	-20.4	177.9	-64.8	179.6	179.9	-173.6	0	113.5	M353 E354 P357 V358	M353-K360 HydrophobicContact CB-CG 3.83Å; M353-K360 HydrophobicContact CG-CG 4.25Å; M353-K360 WeakPolarHBondContact O-CE 3.34Å; M353-K360 HydrophobicContact SD-CG 4.31Å; E354-K360 WeakPolarHBondContact OE1-CE 3.37Å; E354-K360 IonicContact OE1-NZ 2.83Å; E354-K360 PolarHBondContact OE1-NZ 3.05Å; E354-K360 IonicContact OE2-NZ 2.69Å; E354-K360 PolarHBondContact OE2-NZ 3.49Å; P357-K360 WeakPolarHBondContact O-CB 3.29Å; P357-K360 WeakPolarHBondContact O-CG 3.2Å; P357-K360 PolarHBondContact O-N 3.4Å; P357-K360 VanDerWaalsContact O-N 3.14Å; V358-K360 PolarHBondContact O-N 3.19Å
361	K	98.5	Very high	98.5	Very high	175 Å²	175	48.5 Å²	48.5	76%	0.761	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-110	-7.3	-179	-61.6	-179.1	-177	172.7	0	113.2	V358 L359	V358-K361 PolarHBondContact O-N 2.77Å; L359-K361 PolarHBondContact O-N 3.06Å; L359-K361 VanDerWaalsContact O-N 3.07Å
362	A	98	Very high	98.5	Very high	22 Å²	22	48.3 Å²	48.3	18%	0.182	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-87	142.6	-173.4	0	0	0	0	0	110.6	T275 I278 L359	T275-A362 HydrophobicContact CG2-CB 4.16Å; I278-A362 HydrophobicContact CD1-CB 3.72Å; I278-A362 HydrophobicContact CG1-CB 3.8Å; L359-A362 PolarHBondContact O-N 3.29Å; L359-A362 VanDerWaalsContact O-N 3.13Å
363	D	98.1	Very high	98.5	Very high	115 Å²	115	48.6 Å²	48.6	62%	0.615	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-86	147.2	172.9	-64	-43.9	0	0	0	110.4	T275 S276	T275-D363 CarbonylContact C-O 3.44Å; T275-D363 WeakPolarHBondContact CA-O 3.43Å; T275-D363 WeakPolarHBondContact CB-O 3.11Å; S276-D363 PolarHBondContact N-O 2.93Å; S276-D363 PolarHBondContact OG-N 2.88Å
364	I	98.5	Very high	98.5	Very high	78 Å²	78	46.1 Å²	46.1	40%	0.4	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.3	171.4	-62.4	175.1	0	0	0	108.8	V273 L342 V367	V273-I364 HydrophobicContact CG1-CB 4.27Å; V273-I364 HydrophobicContact CG1-CD1 3.81Å; V273-I364 HydrophobicContact CG1-CG1 3.7Å; V273-I364 HydrophobicContact CG1-CG2 3.7Å; L342-I364 HydrophobicContact CD2-CD1 3.68Å; I364-V367 HydrophobicContact CG2-CG2 3.69Å
365	I	97.8	Very high	98.5	Very high	118 Å²	118	41.1 Å²	41.1	61%	0.605	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	-40.5	174.9	-66.1	-64.9	0	0	0	111.2	V274	V274-I365 PolarHBondContact O-N 3.16Å
366	N	97.2	Very high	98.5	Very high	83 Å²	83	40.1 Å²	40.1	44%	0.444	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.6	-175.7	-160	8.9	0	0	0	111.4	V274	V274-N366 HydrophobicContact CB-CB 4.43Å; V274-N366 PolarHBondContact N-O 3.35Å; V274-N366 PolarHBondContact O-N 2.89Å
367	V	98.4	Very high	98.5	Very high	19 Å²	19	42.5 Å²	42.5	12%	0.115	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	109.9	169.9	-177.6	0	0	0	0	108.1	Y272 V273 L342 I364	Y272-V367 WeakPolarHBondContact O-CA 3.47Å; V273-V367 HydrophobicContact CG1-CG2 4.33Å; V273-V367 HydrophobicContact CG2-CG1 4.39Å; V273-V367 HydrophobicContact CG2-CG2 4.12Å; L342-V367 HydrophobicContact CD1-CB 4.11Å; L342-V367 HydrophobicContact CD1-CG1 4.04Å; L342-V367 HydrophobicContact CD1-CG2 3.69Å; L342-V367 HydrophobicContact CD2-CG2 4.22Å; L342-V367 HydrophobicContact CG-CG2 4.07Å; I364-V367 HydrophobicContact CG2-CG2 3.69Å
368	V	98.6	Very high	98.5	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.1	-177.3	174.5	0	0	0	0	108.2	H91 Q271 Y272 L337	H91-V368 HydrophobicContact CB-CG1 4.02Å; Q271-V368 VanDerWaalsContact CA-O 3.23Å; Q271-V368 WeakPolarHBondContact CA-O 3.38Å; Y272-V368 HydrophobicContact CD1-CB 4.08Å; Y272-V368 HydrophobicContact CD1-CG1 4.3Å; Y272-V368 HydrophobicContact CD2-CB 4.21Å; Y272-V368 HydrophobicContact CD2-CG2 4.45Å; Y272-V368 HydrophobicContact CE1-CB 3.57Å; Y272-V368 HydrophobicContact CE1-CG1 3.52Å; Y272-V368 HydrophobicContact CE1-CG2 4.24Å; Y272-V368 HydrophobicContact CE2-CB 3.74Å; Y272-V368 HydrophobicContact CE2-CG1 4.45Å; Y272-V368 HydrophobicContact CE2-CG2 3.65Å; Y272-V368 HydrophobicContact CG-CB 4.38Å; Y272-V368 VanDerWaalsContact CZ-CB 3.41Å; Y272-V368 PolarHBondContact N-O 3.37Å; Y272-V368 VanDerWaalsContact N-O 3.07Å; Y272-V368 PolarHBondContact O-N 3.02Å; Y272-V368 WeakPolarHBondContact OH-CG2 3.49Å; L337-V368 HydrophobicContact CD1-CB 4.38Å; L337-V368 HydrophobicContact CD1-CG1 3.86Å; L337-V368 HydrophobicContact CD1-CG2 4.32Å; L337-V368 HydrophobicContact CD2-CG1 3.75Å; L337-V368 HydrophobicContact CG-CG1 4.47Å
369	N	98.8	Very high	98.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109	173.6	-173	7.6	0	0	0	109.9	Q269 H270 Q271 L337 F338 E339	Q269-N369 PolarHBondContact OE1-ND2 2.81Å; H270-N369 WeakPolarHBondContact O-CA 3.33Å; H270-N369 PolarHBondContact O-OD1 3.18Å; Q271-N369 HydrophobicContact CG-CB 3.69Å; Q271-N369 WeakPolarHBondContact CG-OD1 3.31Å; L337-N369 WeakPolarHBondContact CB-O 3.44Å; F338-N369 HydrophobicContact CB-CB 4.11Å; F338-N369 WeakPolarHBondContact CB-ND2 3.38Å; F338-N369 PolarHBondContact N-O 3.19Å; E339-N369 PolarHBondContact O-ND2 2.91Å
370	G	98.1	Very high	98.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.4	-170.7	0	0	0	0	0	114.1	H91 H270	H91-G370 WeakPolarHBondContact NE2-CA 3.32Å; H270-G370 PolarHBondContact N-O 3.47Å; H270-G370 PolarHBondContact O-N 2.93Å
371	P	98.7	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.7	174.8	28.9	-33.3	0	0	0	112.1	S88 F250 P267 V268 W324 F333 F338	S88-P371 VanDerWaalsContact CB-O 3.28Å; S88-P371 WeakPolarHBondContact CB-O 3.48Å; S88-P371 PolarHBondContact OG-O 3.26Å; F250-P371 HydrophobicContact CD1-CB 4.24Å; F250-P371 HydrophobicContact CD1-CG 4.11Å; F250-P371 HydrophobicContact CE1-CB 4.39Å; F250-P371 HydrophobicContact CE1-CG 3.76Å; F250-P371 HydrophobicContact CZ-CG 4.24Å; P267-P371 HydrophobicContact CB-CB 4.32Å; V268-P371 CarbonylContact O-C 3.48Å; V268-P371 WeakPolarHBondContact O-CA 3.46Å; W324-P371 HydrophobicContact CH2-CG 4.49Å; W324-P371 HydrophobicContact CZ3-CB 4.22Å; W324-P371 HydrophobicContact CZ3-CG 4.41Å; F333-P371 HydrophobicContact CE1-CG 3.92Å; F333-P371 HydrophobicContact CZ-CG 4.12Å; F338-P371 HydrophobicContact CE2-CB 3.77Å; F338-P371 HydrophobicContact CE2-CG 4.11Å; F338-P371 HydrophobicContact CZ-CB 4.02Å; F338-P371 HydrophobicContact CZ-CG 4.28Å
372	I	98.7	Very high	98.5	Very high	27 Å²	27	28.1 Å²	28.1	14%	0.138	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.1	166.4	-51.1	177.6	0	0	0	108.6	P267 V268 H270 Y374 F397	P267-I372 CarbonylContact C-O 3.55Å; P267-I372 VanDerWaalsContact CA-O 3.28Å; P267-I372 WeakPolarHBondContact CA-O 3.35Å; V268-I372 HydrophobicContact CG2-CB 4.04Å; V268-I372 PolarHBondContact N-O 2.91Å; V268-I372 PolarHBondContact O-N 3.23Å; H270-I372 HydrophobicContact CB-CD1 3.59Å; H270-I372 HydrophobicContact CB-CG1 4.23Å; I372-Y374 HydrophobicContact CB-CD2 4.25Å; I372-Y374 HydrophobicContact CB-CE2 4.07Å; I372-Y374 HydrophobicContact CG2-CD2 3.86Å; I372-Y374 HydrophobicContact CG2-CE2 3.66Å; I372-Y374 PolarHBondContact O-N 3.07Å; I372-F397 WeakPolarHBondContact CG2-O 3.31Å
373	T	98.8	Very high	98.6	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.6	-179.5	-45.3	0	0	0	0	110	G249 F250 L265 G396 F397	G249-T373 VanDerWaalsContact C-OG1 3.25Å; F250-T373 VanDerWaalsContact CA-OG1 3.23Å; F250-T373 WeakPolarHBondContact CA-OG1 3.15Å; F250-T373 WeakPolarHBondContact CB-OG1 3.33Å; F250-T373 PolarHBondContact N-OG1 3.4Å; L265-T373 HydrophobicContact CB-CG2 4.01Å; L265-T373 HydrophobicContact CD1-CG2 3.98Å; L265-T373 HydrophobicContact CD2-CG2 4.4Å; L265-T373 HydrophobicContact CG-CG2 4.37Å; T373-G396 CarbonylContact O-C 3.49Å; T373-G396 WeakPolarHBondContact O-CA 3.4Å; T373-F397 CarbonylContact O-C 3.55Å; T373-F397 PolarHBondContact O-N 2.81Å
374	Y	98.9	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.8	178.4	-88	-145	0	0	0	111.1	L265 I266 V268 I372 I378 A445 Y449	L265-Y374 WeakPolarHBondContact CA-O 3.31Å; I266-Y374 PolarHBondContact N-O 3.45Å; I266-Y374 PolarHBondContact O-N 3.45Å; V268-Y374 HydrophobicContact CG1-CD1 4.11Å; V268-Y374 HydrophobicContact CG1-CD2 4.46Å; V268-Y374 HydrophobicContact CG1-CG 3.92Å; V268-Y374 HydrophobicContact CG2-CD1 4.17Å; V268-Y374 HydrophobicContact CG2-CD2 3.52Å; V268-Y374 HydrophobicContact CG2-CE1 4.29Å; V268-Y374 HydrophobicContact CG2-CE2 3.65Å; V268-Y374 HydrophobicContact CG2-CG 3.8Å; I372-Y374 HydrophobicContact CB-CD2 4.25Å; I372-Y374 HydrophobicContact CB-CE2 4.07Å; I372-Y374 HydrophobicContact CG2-CD2 3.86Å; I372-Y374 HydrophobicContact CG2-CE2 3.66Å; I372-Y374 PolarHBondContact O-N 3.07Å; Y374-I378 HydrophobicContact CD1-CG1 4.31Å; Y374-I378 HydrophobicContact CE1-CD1 3.66Å; Y374-I378 HydrophobicContact CE1-CG1 3.8Å; Y374-I378 HydrophobicContact CE2-CG1 4.38Å; Y374-I378 WeakPolarHBondContact OH-CD1 3.48Å; Y374-A445 HydrophobicContact CD1-CB 4.49Å; Y374-Y449 HydrophobicContact CE1-CD2 4.13Å
375	S	98.9	Very high	98.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.			trans	-83	169.1	154.7	69	0	0	0	0	109.7	D377 I378 L379	S375-D377 VanDerWaalsContact C-N 3.26Å; S375-D377 PolarHBondContact O-N 3.01Å; S375-D377 PolarHBondContact OG-OD1 2.85Å; S375-I378 PolarHBondContact O-N 2.96Å; S375-I378 PolarHBondContact OG-N 2.92Å; S375-L379 WeakPolarHBondContact CB-O 3.39Å; S375-L379 PolarHBondContact OG-N 3.04Å; S375-L379 PolarHBondContact OG-O 2.78Å
376	P	98.9	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-41.4	176	-30.1	32.2	0	0	0	114.8	P264 Y432 T436 Y440 T441 K444 S448	P264-P376 HydrophobicContact CB-CG 4.4Å; P264-P376 VanDerWaalsContact O-CD 3.26Å; P264-P376 WeakPolarHBondContact O-CD 3.49Å; P376-Y432 HydrophobicContact CB-CE1 3.95Å; P376-Y432 WeakPolarHBondContact CD-OH 3.26Å; P376-Y432 HydrophobicContact CG-CD1 4.33Å; P376-Y432 HydrophobicContact CG-CE1 3.75Å; P376-Y432 HydrophobicContact CG-CE2 4.46Å; P376-T436 HydrophobicContact CG-CG2 3.7Å; P376-Y440 HydrophobicContact CB-CD1 4.34Å; P376-Y440 HydrophobicContact CB-CE1 3.74Å; P376-Y440 HydrophobicContact CG-CD1 4.29Å; P376-Y440 HydrophobicContact CG-CE1 4.08Å; P376-T441 HydrophobicContact CG-CG2 4.36Å; P376-K444 HydrophobicContact CB-CB 3.86Å; P376-K444 HydrophobicContact CB-CG 3.96Å; P376-K444 CarbonylContact O-C 3.56Å; P376-K444 VanDerWaalsContact O-CG 3.26Å; P376-K444 WeakPolarHBondContact O-CG 3.22Å; P376-S448 PolarHBondContact O-OG 3.32Å
377	D	98.6	Very high	98.7	Very high	51 Å²	51	14.2 Å²	14.2	27%	0.273	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	20.2	-172.6	63.4	24.2	0	0	0	114	S375 L379 R431 Y432	S375-D377 VanDerWaalsContact C-N 3.26Å; S375-D377 PolarHBondContact O-N 3.01Å; S375-D377 PolarHBondContact OG-OD1 2.85Å; D377-L379 PolarHBondContact O-N 2.78Å; D377-L379 WeakPolarHBondContact OD1-CB 3.29Å; D377-L379 PolarHBondContact OD1-N 2.52Å; D377-R431 IonicContact OD1-CZ 3.7Å; D377-R431 IonicContact OD1-NE 3.58Å; D377-R431 IonicContact OD1-NH2 2.69Å; D377-R431 PolarHBondContact OD1-NH2 3.38Å; D377-R431 IonicContact OD2-CZ 3.57Å; D377-R431 IonicContact OD2-NE 3.81Å; D377-R431 PolarHBondContact OD2-NE 3.07Å; D377-R431 IonicContact OD2-NH2 3.66Å; D377-R431 PolarHBondContact OD2-NH2 3.09Å; D377-Y432 PolarHBondContact N-OH 2.88Å; D377-Y432 PolarHBondContact OD1-OH 3.37Å; D377-Y432 PolarHBondContact OD2-OH 3.42Å
378	I	98.7	Very high	98.7	Very high	26 Å²	26	14.8 Å²	14.8	13%	0.133	9%	0.092	C	C	.	.	S	Bend	trans	63.9	-20.1	-174.2	-157.9	161.4	0	0	0	115.9	Y374 S375 Y399	Y374-I378 HydrophobicContact CD1-CG1 4.31Å; Y374-I378 HydrophobicContact CE1-CD1 3.66Å; Y374-I378 HydrophobicContact CE1-CG1 3.8Å; Y374-I378 HydrophobicContact CE2-CG1 4.38Å; Y374-I378 WeakPolarHBondContact OH-CD1 3.48Å; S375-I378 PolarHBondContact O-N 2.96Å; S375-I378 PolarHBondContact OG-N 2.92Å; I378-Y399 HydrophobicContact CD1-CE2 3.81Å; I378-Y399 HydrophobicContact CG1-CE2 4.2Å
379	L	98.9	Very high	98.7	Very high	36 Å²	36	19.7 Å²	19.7	19%	0.188	11%	0.11	C	C	.	.	S	Bend	trans	-80.2	144.6	-176.5	-59.2	-178.1	0	0	0	111	L105 S375 D377 E426 L427 R431	L105-L379 HydrophobicContact CD1-CD1 4.24Å; L105-L379 HydrophobicContact CD1-CD2 3.62Å; S375-L379 WeakPolarHBondContact CB-O 3.39Å; S375-L379 PolarHBondContact OG-N 3.04Å; S375-L379 PolarHBondContact OG-O 2.78Å; D377-L379 PolarHBondContact O-N 2.78Å; D377-L379 WeakPolarHBondContact OD1-CB 3.29Å; D377-L379 PolarHBondContact OD1-N 2.52Å; L379-E426 HydrophobicContact CD1-CB 4.3Å; L379-E426 HydrophobicContact CD1-CG 4.48Å; L379-L427 HydrophobicContact CB-CD2 3.79Å; L379-L427 HydrophobicContact CD1-CD2 4.31Å; L379-L427 HydrophobicContact CG-CD2 4.46Å; L379-R431 PolarHBondContact O-NH2 3.44Å
380	P	98.9	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.			trans	-65.8	166	178.4	30	-36.7	0	0	0	112.6	V382 I395 G396 F397 L427 R431	P380-V382 HydrophobicContact CB-CG2 3.87Å; P380-V382 HydrophobicContact CG-CG2 3.94Å; P380-I395 CarbonylContact C-O 3.56Å; P380-I395 VanDerWaalsContact CA-O 3.31Å; P380-I395 WeakPolarHBondContact CA-O 3.23Å; P380-I395 WeakPolarHBondContact CB-O 3.47Å; P380-G396 WeakPolarHBondContact CA-O 3.25Å; P380-F397 HydrophobicContact CB-CD1 3.54Å; P380-F397 HydrophobicContact CB-CD2 4.16Å; P380-F397 HydrophobicContact CB-CE1 3.51Å; P380-F397 HydrophobicContact CB-CE2 4.15Å; P380-F397 HydrophobicContact CB-CG 3.86Å; P380-F397 HydrophobicContact CB-CZ 3.83Å; P380-F397 HydrophobicContact CG-CD1 3.77Å; P380-F397 HydrophobicContact CG-CE1 3.63Å; P380-F397 HydrophobicContact CG-CZ 4.34Å; P380-L427 HydrophobicContact CG-CD1 4.16Å; P380-L427 HydrophobicContact CG-CD2 3.82Å; P380-R431 PolarHBondContact O-NH1 3.07Å; P380-R431 PolarHBondContact O-NH2 3.45Å; P380-R431 VanDerWaalsContact O-NH2 3.11Å
381	M	98.9	Very high	98.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.8	167	-66.3	164.5	66.2	0	0	107.5	P264 L265 V393 A394 I395 L427 P429 Y432	P264-M381 HydrophobicContact CG-CE 4.48Å; P264-M381 HydrophobicContact CG-SD 4.17Å; L265-M381 HydrophobicContact CD2-SD 4.04Å; L265-M381 HydrophobicContact CG-SD 4.41Å; M381-V393 HydrophobicContact CB-CG2 4.14Å; M381-A394 WeakPolarHBondContact O-CA 3.3Å; M381-I395 HydrophobicContact CB-CD1 4.48Å; M381-I395 HydrophobicContact CB-CG1 3.81Å; M381-I395 HydrophobicContact CE-CD1 4.21Å; M381-I395 PolarHBondContact N-O 3.23Å; M381-I395 PolarHBondContact O-N 2.76Å; M381-I395 HydrophobicContact SD-CD1 4.19Å; M381-I395 HydrophobicContact SD-CG1 4.22Å; M381-L427 WeakPolarHBondContact CA-O 3.49Å; M381-P429 HydrophobicContact CB-CB 4.01Å; M381-P429 HydrophobicContact CE-CB 4.14Å; M381-P429 WeakPolarHBondContact CE-O 2.96Å; M381-Y432 HydrophobicContact CG-CD2 4.27Å; M381-Y432 HydrophobicContact CG-CE2 4.06Å; M381-Y432 HydrophobicContact SD-CD2 4.13Å; M381-Y432 HydrophobicContact SD-CE2 4.23Å
382	V	98.9	Very high	98.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	112.3	-170.6	-178.3	0	0	0	0	110.2	P380 V393 F397 V407 Y410 L411 L427	P380-V382 HydrophobicContact CB-CG2 3.87Å; P380-V382 HydrophobicContact CG-CG2 3.94Å; V382-V393 WeakPolarHBondContact CA-O 3.41Å; V382-F397 HydrophobicContact CG2-CE1 4.38Å; V382-F397 HydrophobicContact CG2-CZ 3.98Å; V382-V407 HydrophobicContact CG1-CG1 3.67Å; V382-V407 HydrophobicContact CG2-CG1 3.97Å; V382-Y410 HydrophobicContact CG1-CD1 4Å; V382-Y410 HydrophobicContact CG1-CE1 4.26Å; V382-L411 HydrophobicContact CG1-CD1 4.01Å; V382-L427 HydrophobicContact CB-CB 4.14Å; V382-L427 HydrophobicContact CB-CD1 4.41Å; V382-L427 HydrophobicContact CG2-CB 4.41Å; V382-L427 HydrophobicContact CG2-CD1 4.18Å; V382-L427 PolarHBondContact N-O 2.95Å
383	G	98.9	Very high	98.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.6	-174.6	178.2	0	0	0	0	0	114.3	W392 V393	G383-W392 VanDerWaalsContact C-CE3 3.5Å; G383-W392 WeakPolarHBondContact O-CA 3.37Å; G383-V393 PolarHBondContact N-O 2.8Å; G383-V393 PolarHBondContact O-N 2.6Å
384	P	98.9	Very high	98.7	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.032	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.9	172.7	27	-21.9	0	0	0	109.9	W392 W414 P429 N430 R605	P384-W392 HydrophobicContact CB-CD2 3.82Å; P384-W392 HydrophobicContact CB-CE3 3.76Å; P384-W392 HydrophobicContact CB-CH2 3.81Å; P384-W392 HydrophobicContact CB-CZ2 3.87Å; P384-W392 HydrophobicContact CB-CZ3 3.77Å; P384-W392 HydrophobicContact CG-CE3 4.04Å; P384-W392 HydrophobicContact CG-CH2 3.73Å; P384-W392 HydrophobicContact CG-CZ2 4.28Å; P384-W392 HydrophobicContact CG-CZ3 3.61Å; P384-W414 VanDerWaalsContact CD-CZ2 3.47Å; P384-W414 HydrophobicContact CG-CH2 3.96Å; P384-W414 HydrophobicContact CG-CZ2 3.62Å; P384-P429 WeakPolarHBondContact O-CG 3.32Å; P384-N430 PolarHBondContact O-OD1 2.7Å; P384-R605 VanDerWaalsContact O-CD 3.24Å; P384-R605 WeakPolarHBondContact O-CD 3.5Å; P384-R605 PolarHBondContact O-NH1 2.81Å
385	H	98.9	Very high	98.7	Very high	25 Å²	25	22.2 Å²	22.2	12%	0.116	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-92.4	126.9	-178.7	-162.9	-73.1	0	0	0	111.3	H263 Y391 N430	H263-H385 AromaticContact CE1-CD2 3.68Å; H263-H385 AromaticContact CE1-NE2 3.75Å; H385-Y391 HydrophobicContact CB-CD1 3.67Å; H385-Y391 HydrophobicContact CB-CE1 4.29Å; H385-Y391 PolarHBondContact N-O 3.44Å; H385-N430 PolarHBondContact CE1-ND2 3.11Å
386	Q	98.6	Very high	98.7	Very high	34 Å²	34	22.2 Å²	22.2	16%	0.159	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	147.9	174.1	-170.2	-85.5	-36.2	0	0	112	V388 N430 R605 E608	Q386-V388 VanDerWaalsContact C-N 3.25Å; Q386-V388 PolarHBondContact O-N 2.67Å; Q386-N430 HydrophobicContact CB-CB 4.38Å; Q386-N430 PolarHBondContact N-ND2 3.15Å; Q386-N430 PolarHBondContact N-OD1 3.37Å; Q386-R605 HydrophobicContact CB-CB 3.9Å; Q386-R605 HydrophobicContact CB-CG 4.25Å; Q386-R605 HydrophobicContact CG-CB 3.87Å; Q386-E608 VanDerWaalsContact NE2-CD 3.33Å; Q386-E608 PolarHBondContact NE2-OE1 2.93Å; Q386-E608 PolarHBondContact NE2-OE2 3.4Å
387	G	97.1	Very high	98.7	Very high	59 Å²	59	23.3 Å²	23.3	61%	0.608	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	-10.8	176.1	0	0	0	0	0	115.6
388	V	98.3	Very high	98.7	Very high	31 Å²	31	21.2 Å²	21.2	19%	0.188	12%	0.118	C	C	.	.	S	Bend	trans	-136.5	116.9	179.3	-166.3	0	0	0	0	110.9	W230 I259 L261 Q386 N390	W230-V388 HydrophobicContact CH2-CG1 3.44Å; W230-V388 VanDerWaalsContact CH2-CG1 3.44Å; W230-V388 HydrophobicContact CZ2-CG1 3.51Å; I259-V388 HydrophobicContact CD1-CG1 4.23Å; L261-V388 HydrophobicContact CD1-CG2 4.08Å; L261-V388 HydrophobicContact CD2-CG2 3.94Å; L261-V388 HydrophobicContact CG-CG2 4.26Å; Q386-V388 VanDerWaalsContact C-N 3.25Å; Q386-V388 PolarHBondContact O-N 2.67Å; V388-N390 PolarHBondContact O-N 3.19Å
389	R	98.6	Very high	98.7	Very high	111 Å²	111	22.7 Å²	22.7	42%	0.419	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	133.9	-173.7	-63.9	179.8	65.5	-160.4	-1.6	112.1	S226 D227 W230 Y391 V612	S226-R389 PolarHBondContact O-NH1 2.84Å; D227-R389 VanDerWaalsContact C-NH1 3.34Å; D227-R389 PolarHBondContact O-NH1 2.92Å; D227-R389 PolarHBondContact O-NH2 2.99Å; W230-R389 VanDerWaalsContact CZ2-O 3.28Å; W230-R389 WeakPolarHBondContact CZ2-O 3.34Å; W230-R389 PolarHBondContact NE1-O 2.94Å; R389-Y391 PolarHBondContact O-N 2.92Å; R389-Y391 VanDerWaalsContact O-N 3.1Å; R389-V612 VanDerWaalsContact CZ-CG1 3.42Å
390	N	98.8	Very high	98.6	Very high	60 Å²	60	21.8 Å²	21.8	32%	0.321	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	23.2	174.1	-60.9	-43.2	0	0	0	115	G228 W230 N242 R243 I244 V388	G228-N390 PolarHBondContact O-ND2 3.06Å; W230-N390 PolarHBondContact NE1-O 3.21Å; N242-N390 WeakPolarHBondContact O-CB 3.49Å; N242-N390 PolarHBondContact O-ND2 3.23Å; R243-N390 WeakPolarHBondContact CA-O 3.38Å; R243-N390 HydrophobicContact CB-CB 3.82Å; R243-N390 WeakPolarHBondContact CB-O 3.45Å; I244-N390 PolarHBondContact N-O 3.18Å; V388-N390 PolarHBondContact O-N 3.19Å
391	Y	98.9	Very high	98.6	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120	168.5	179.6	-103.8	0	0	0	109.4	I244 N246 I259 L261 H263 H385 R389 V393	I244-Y391 HydrophobicContact CD1-CD2 3.68Å; I244-Y391 HydrophobicContact CD1-CE2 4.23Å; I244-Y391 HydrophobicContact CG1-CD2 3.7Å; I244-Y391 HydrophobicContact CG1-CE2 4.47Å; N246-Y391 HydrophobicContact CB-CE2 4.02Å; N246-Y391 WeakPolarHBondContact CB-OH 3.49Å; N246-Y391 PolarHBondContact ND2-OH 3.46Å; I259-Y391 HydrophobicContact CD1-CD1 3.95Å; I259-Y391 HydrophobicContact CD1-CD2 3.65Å; I259-Y391 HydrophobicContact CD1-CE1 4.02Å; I259-Y391 HydrophobicContact CD1-CE2 3.72Å; I259-Y391 HydrophobicContact CD1-CG 3.78Å; L261-Y391 HydrophobicContact CD1-CD1 3.86Å; L261-Y391 HydrophobicContact CD1-CE1 3.67Å; H263-Y391 AromaticContact CE1-CE1 3.88Å; H263-Y391 AromaticContact NE2-CE1 3.64Å; H263-Y391 AromaticContact NE2-CZ 3.73Å; H263-Y391 PolarHBondContact NE2-OH 2.97Å; H385-Y391 HydrophobicContact CB-CD1 3.67Å; H385-Y391 HydrophobicContact CB-CE1 4.29Å; H385-Y391 PolarHBondContact N-O 3.44Å; R389-Y391 PolarHBondContact O-N 2.92Å; R389-Y391 VanDerWaalsContact O-N 3.1Å; Y391-V393 HydrophobicContact CD1-CG1 4.13Å; Y391-V393 HydrophobicContact CE1-CG1 3.37Å
392	W	98.9	Very high	98.6	Very high	21 Å²	21	22.7 Å²	22.7	8%	0.08	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	155.8	179.6	-61	71.4	0	0	0	109.8	I244 V245 N246 G383 P384 L411 W414 I415	I244-W392 PolarHBondContact O-N 2.97Å; V245-W392 CarbonylContact C-O 3.04Å; V245-W392 WeakPolarHBondContact CA-O 3.41Å; V245-W392 HydrophobicContact CB-CB 4.38Å; V245-W392 HydrophobicContact CG1-CB 4.08Å; V245-W392 HydrophobicContact CG2-CB 4.08Å; N246-W392 PolarHBondContact N-O 3.34Å; G383-W392 VanDerWaalsContact C-CE3 3.5Å; G383-W392 WeakPolarHBondContact O-CA 3.37Å; P384-W392 HydrophobicContact CB-CD2 3.82Å; P384-W392 HydrophobicContact CB-CE3 3.76Å; P384-W392 HydrophobicContact CB-CH2 3.81Å; P384-W392 HydrophobicContact CB-CZ2 3.87Å; P384-W392 HydrophobicContact CB-CZ3 3.77Å; P384-W392 HydrophobicContact CG-CE3 4.04Å; P384-W392 HydrophobicContact CG-CH2 3.73Å; P384-W392 HydrophobicContact CG-CZ2 4.28Å; P384-W392 HydrophobicContact CG-CZ3 3.61Å; W392-L411 HydrophobicContact CE3-CD1 3.72Å; W392-L411 HydrophobicContact CE3-CG 4.43Å; W392-L411 HydrophobicContact CZ3-CD1 4.09Å; W392-W414 AromaticContact CH2-CD1 3.84Å; W392-W414 HydrophobicContact CH2-CD2 4.21Å; W392-W414 AromaticContact CH2-CG 3.94Å; W392-W414 HydrophobicContact CH2-CG 3.94Å; W392-W414 HydrophobicContact CZ3-CB 4.22Å; W392-W414 AromaticContact CZ3-CD2 3.78Å; W392-W414 HydrophobicContact CZ3-CD2 3.78Å; W392-W414 HydrophobicContact CZ3-CE3 4.17Å; W392-W414 AromaticContact CZ3-CG 3.78Å; W392-W414 HydrophobicContact CZ3-CG 3.78Å; W392-I415 HydrophobicContact CD2-CD1 4.42Å; W392-I415 HydrophobicContact CD2-CG1 3.96Å; W392-I415 HydrophobicContact CE3-CG1 3.97Å; W392-I415 HydrophobicContact CH2-CG1 4.08Å; W392-I415 HydrophobicContact CZ2-CG1 4.07Å; W392-I415 HydrophobicContact CZ3-CG1 4.01Å
393	V	99	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.4	176	-57	0	0	0	0	111.3	N246 M381 V382 G383 Y391 I395 P429	N246-V393 HydrophobicContact CB-CG1 4.23Å; N246-V393 WeakPolarHBondContact O-CA 3.39Å; M381-V393 HydrophobicContact CB-CG2 4.14Å; V382-V393 WeakPolarHBondContact CA-O 3.41Å; G383-V393 PolarHBondContact N-O 2.8Å; G383-V393 PolarHBondContact O-N 2.6Å; Y391-V393 HydrophobicContact CD1-CG1 4.13Å; Y391-V393 HydrophobicContact CE1-CG1 3.37Å; V393-I395 HydrophobicContact CB-CD1 3.91Å; V393-I395 HydrophobicContact CB-CG1 4.02Å; V393-I395 HydrophobicContact CB-CG2 4.33Å; V393-I395 HydrophobicContact CG1-CD1 4.04Å; V393-I395 HydrophobicContact CG2-CD1 4.33Å; V393-I395 HydrophobicContact CG2-CG1 4.32Å; V393-P429 HydrophobicContact CG2-CB 3.4Å; V393-P429 VanDerWaalsContact CG2-CB 3.4Å; V393-P429 HydrophobicContact CG2-CG 4.01Å
394	A	98.9	Very high	98.6	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	87.4	161.3	0	0	0	0	0	105.9	V60 N246 A247 M381 F397 L411	V60-A394 HydrophobicContact CG1-CB 3.74Å; N246-A394 PolarHBondContact O-N 3.16Å; A247-A394 WeakPolarHBondContact CA-O 3.4Å; M381-A394 WeakPolarHBondContact O-CA 3.3Å; A394-F397 HydrophobicContact CB-CE2 4.05Å; A394-F397 HydrophobicContact CB-CZ 4.15Å; A394-F397 WeakPolarHBondContact O-CE2 3.32Å; A394-L411 HydrophobicContact CB-CD2 4.09Å
395	I	98.9	Very high	98.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	167.1	-168.1	63.4	-176.9	0	0	0	111.6	N246 A252 H263 L265 P380 M381 V393	N246-I395 HydrophobicContact CB-CG2 4.38Å; N246-I395 WeakPolarHBondContact O-CG2 3.17Å; A252-I395 HydrophobicContact CB-CB 3.69Å; A252-I395 HydrophobicContact CB-CD1 4.15Å; A252-I395 HydrophobicContact CB-CG1 4.48Å; A252-I395 HydrophobicContact CB-CG2 3.44Å; A252-I395 VanDerWaalsContact CB-CG2 3.44Å; H263-I395 HydrophobicContact CB-CD1 4.1Å; L265-I395 HydrophobicContact CD1-CB 3.86Å; L265-I395 HydrophobicContact CD1-CD1 3.69Å; L265-I395 HydrophobicContact CD1-CG1 3.78Å; P380-I395 CarbonylContact C-O 3.56Å; P380-I395 VanDerWaalsContact CA-O 3.31Å; P380-I395 WeakPolarHBondContact CA-O 3.23Å; P380-I395 WeakPolarHBondContact CB-O 3.47Å; M381-I395 HydrophobicContact CB-CD1 4.48Å; M381-I395 HydrophobicContact CB-CG1 3.81Å; M381-I395 HydrophobicContact CE-CD1 4.21Å; M381-I395 PolarHBondContact N-O 3.23Å; M381-I395 PolarHBondContact O-N 2.76Å; M381-I395 HydrophobicContact SD-CD1 4.19Å; M381-I395 HydrophobicContact SD-CG1 4.22Å; V393-I395 HydrophobicContact CB-CD1 3.91Å; V393-I395 HydrophobicContact CB-CG1 4.02Å; V393-I395 HydrophobicContact CB-CG2 4.33Å; V393-I395 HydrophobicContact CG1-CD1 4.04Å; V393-I395 HydrophobicContact CG2-CD1 4.33Å; V393-I395 HydrophobicContact CG2-CG1 4.32Å
396	G	98.8	Very high	98.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	12%	0.119	C	C	.	.			trans	71.7	33.2	175.3	0	0	0	0	0	115.2	L265 T373 P380 G398	L265-G396 VanDerWaalsContact CD2-CA 3.46Å; T373-G396 CarbonylContact O-C 3.49Å; T373-G396 WeakPolarHBondContact O-CA 3.4Å; P380-G396 WeakPolarHBondContact CA-O 3.25Å; G396-G398 PolarHBondContact O-N 3.43Å
397	F	98.9	Very high	98.7	Very high	22 Å²	22	19.7 Å²	19.7	10%	0.096	11%	0.112	C	C	.	.			trans	-78.7	108.3	-178.8	-69.3	-90.9	0	0	0	112.5	V60 I372 T373 P380 V382 A394 Y399 H403 V407	V60-F397 HydrophobicContact CB-CE2 4.23Å; V60-F397 HydrophobicContact CG1-CE2 3.65Å; V60-F397 HydrophobicContact CG1-CZ 3.79Å; V60-F397 HydrophobicContact CG2-CD1 4.43Å; V60-F397 HydrophobicContact CG2-CD2 3.92Å; V60-F397 HydrophobicContact CG2-CE1 4.35Å; V60-F397 HydrophobicContact CG2-CE2 3.78Å; V60-F397 HydrophobicContact CG2-CG 4.25Å; V60-F397 HydrophobicContact CG2-CZ 4.03Å; I372-F397 WeakPolarHBondContact CG2-O 3.31Å; T373-F397 CarbonylContact O-C 3.55Å; T373-F397 PolarHBondContact O-N 2.81Å; P380-F397 HydrophobicContact CB-CD1 3.54Å; P380-F397 HydrophobicContact CB-CD2 4.16Å; P380-F397 HydrophobicContact CB-CE1 3.51Å; P380-F397 HydrophobicContact CB-CE2 4.15Å; P380-F397 HydrophobicContact CB-CG 3.86Å; P380-F397 HydrophobicContact CB-CZ 3.83Å; P380-F397 HydrophobicContact CG-CD1 3.77Å; P380-F397 HydrophobicContact CG-CE1 3.63Å; P380-F397 HydrophobicContact CG-CZ 4.34Å; V382-F397 HydrophobicContact CG2-CE1 4.38Å; V382-F397 HydrophobicContact CG2-CZ 3.98Å; A394-F397 HydrophobicContact CB-CE2 4.05Å; A394-F397 HydrophobicContact CB-CZ 4.15Å; A394-F397 WeakPolarHBondContact O-CE2 3.32Å; F397-Y399 VanDerWaalsContact C-N 3.27Å; F397-H403 HydrophobicContact CD1-CB 3.84Å; F397-H403 AromaticContact CD1-ND1 3.8Å; F397-H403 HydrophobicContact CE1-CB 3.87Å; F397-V407 HydrophobicContact CE1-CB 4.41Å; F397-V407 HydrophobicContact CE1-CG1 4.31Å; F397-V407 HydrophobicContact CE1-CG2 4.09Å; F397-V407 HydrophobicContact CZ-CB 4.5Å; F397-V407 HydrophobicContact CZ-CG1 3.95Å
398	G	97.8	Very high	98.7	Very high	7 Å²	7	17 Å²	17	7%	0.072	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.3	163.3	0	0	0	0	0	113.2	G396	G396-G398 PolarHBondContact O-N 3.43Å
399	Y	98.3	Very high	98.8	Very high	58 Å²	58	19 Å²	19	23%	0.227	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	52.5	-175.4	-62.1	-76	0	0	0	112.7	Y312 I378 F397 I401 I402 H403 N452	Y312-Y399 WeakPolarHBondContact OH-CE1 3.32Å; I378-Y399 HydrophobicContact CD1-CE2 3.81Å; I378-Y399 HydrophobicContact CG1-CE2 4.2Å; F397-Y399 VanDerWaalsContact C-N 3.27Å; Y399-I401 VanDerWaalsContact C-N 3.31Å; Y399-I401 PolarHBondContact O-N 3.26Å; Y399-I402 WeakPolarHBondContact O-CG2 3.38Å; Y399-I402 PolarHBondContact O-N 2.85Å; Y399-H403 WeakPolarHBondContact O-CB 3.21Å; Y399-H403 VanDerWaalsContact O-CG 3.3Å; Y399-H403 PolarHBondContact O-N 3.35Å; Y399-H403 VanDerWaalsContact O-N 3.11Å; Y399-N452 VanDerWaalsContact OH-CG 3.25Å; Y399-N452 PolarHBondContact OH-ND2 3.38Å; Y399-N452 PolarHBondContact OH-OD1 3.24Å
400	G	98.2	Very high	98.8	Very high	17 Å²	17	14 Å²	14	18%	0.175	7%	0.071	C	C	.	.	H	α-helix	trans	-55.8	-37.8	-170.9	0	0	0	0	0	115.1	H403 A404	G400-H403 PolarHBondContact O-N 3.06Å; G400-A404 VanDerWaalsContact O-CB 3.25Å; G400-A404 WeakPolarHBondContact O-CB 3.46Å; G400-A404 PolarHBondContact O-N 3.4Å
401	I	98.9	Very high	98.8	Very high	13 Å²	13	11.1 Å²	11.1	7%	0.067	6%	0.056	C	C	.	.	H	α-helix	trans	-65.5	-50.2	-176.6	-53.3	-50.1	0	0	0	111.7	T89 A92 T96 Y116 I193 P195 L198 Y399 H403	T89-I401 HydrophobicContact CG2-CD1 4.12Å; A92-I401 HydrophobicContact CB-CD1 3.87Å; A92-I401 HydrophobicContact CB-CG1 3.55Å; T96-I401 HydrophobicContact CG2-CG2 3.83Å; Y116-I401 PolarHBondContact OH-O 3.01Å; I193-I401 HydrophobicContact CG2-CG2 3.58Å; P195-I401 HydrophobicContact CB-CD1 3.75Å; P195-I401 HydrophobicContact CB-CG1 4.42Å; P195-I401 HydrophobicContact CG-CD1 4.14Å; P195-I401 HydrophobicContact CG-CG1 4.28Å; L198-I401 HydrophobicContact CD2-CG2 4.11Å; Y399-I401 VanDerWaalsContact C-N 3.31Å; Y399-I401 PolarHBondContact O-N 3.26Å; I401-H403 VanDerWaalsContact C-N 3.32Å; I401-H403 PolarHBondContact O-N 3.26Å
402	I	98.9	Very high	98.8	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.031	6%	0.056	C	C	.	.	H	α-helix	trans	-72.6	-25.3	178.4	-178	55.5	0	0	0	112.4	T96 T97 H109 S112 I113 Y399	T96-I402 HydrophobicContact CG2-CB 4.19Å; T96-I402 HydrophobicContact CG2-CD1 4.22Å; T97-I402 WeakPolarHBondContact O-CD1 3.36Å; H109-I402 HydrophobicContact CB-CD1 4.16Å; H109-I402 HydrophobicContact CB-CG1 4.19Å; H109-I402 WeakPolarHBondContact ND1-CG1 3.29Å; S112-I402 WeakPolarHBondContact CB-O 3.48Å; S112-I402 PolarHBondContact OG-O 3.45Å; I113-I402 HydrophobicContact CD1-CD1 3.94Å; I113-I402 HydrophobicContact CG1-CD1 3.83Å; Y399-I402 WeakPolarHBondContact O-CG2 3.38Å; Y399-I402 PolarHBondContact O-N 2.85Å
403	H	98.9	Very high	98.8	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-83.9	-26.2	178.1	-65.5	173.8	0	0	0	114	I108 H109 F397 Y399 G400 I401 G405 G406 V407	I108-H403 HydrophobicContact CG2-CB 4.27Å; H109-H403 AromaticContact CD2-CD2 3.68Å; H109-H403 AromaticContact CD2-NE2 3.83Å; H109-H403 AromaticContact NE2-CD2 3.34Å; H109-H403 PolarHBondContact NE2-CD2 2.95Å; H109-H403 VanDerWaalsContact NE2-CD2 3.34Å; H109-H403 AromaticContact NE2-NE2 3.09Å; H109-H403 PolarHBondContact NE2-NE2 2.91Å; F397-H403 HydrophobicContact CD1-CB 3.84Å; F397-H403 AromaticContact CD1-ND1 3.8Å; F397-H403 HydrophobicContact CE1-CB 3.87Å; Y399-H403 WeakPolarHBondContact O-CB 3.21Å; Y399-H403 VanDerWaalsContact O-CG 3.3Å; Y399-H403 PolarHBondContact O-N 3.35Å; Y399-H403 VanDerWaalsContact O-N 3.11Å; G400-H403 PolarHBondContact O-N 3.06Å; I401-H403 VanDerWaalsContact C-N 3.32Å; I401-H403 PolarHBondContact O-N 3.26Å; H403-G405 PolarHBondContact O-N 2.8Å; H403-G406 PolarHBondContact O-N 2.87Å; H403-V407 HydrophobicContact CB-CG2 4.19Å; H403-V407 WeakPolarHBondContact O-CB 3.41Å; H403-V407 WeakPolarHBondContact O-CG2 2.98Å; H403-V407 PolarHBondContact O-N 3.2Å
404	A	98.9	Very high	98.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-56.2	-48.8	-165.3	0	0	0	0	0	113.8	C59 V60 S63 G400 G408	C59-A404 HydrophobicContact CB-CB 4.09Å; V60-A404 HydrophobicContact CG2-CB 4.19Å; S63-A404 VanDerWaalsContact CB-O 3.24Å; S63-A404 WeakPolarHBondContact CB-O 3.15Å; S63-A404 PolarHBondContact OG-O 2.7Å; G400-A404 VanDerWaalsContact O-CB 3.25Å; G400-A404 WeakPolarHBondContact O-CB 3.46Å; G400-A404 PolarHBondContact O-N 3.4Å; A404-G408 PolarHBondContact O-N 3.43Å
405	G	98.9	Very high	98.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-58.4	-179.3	0	0	0	0	0	112.8	H67 S112 Y116 H403 V407 G408 K409	H67-G405 PolarHBondContact CE1-O 2.96Å; S112-G405 PolarHBondContact OG-N 3.36Å; Y116-G405 PolarHBondContact OH-N 2.84Å; H403-G405 PolarHBondContact O-N 2.8Å; G405-V407 PolarHBondContact O-N 3.44Å; G405-G408 PolarHBondContact O-N 3.41Å; G405-K409 PolarHBondContact O-N 2.56Å
406	G	98.9	Very high	98.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.7	-41.3	-179.5	0	0	0	0	0	113.2	S112 H403 K409 Y410	S112-G406 PolarHBondContact OG-N 2.58Å; H403-G406 PolarHBondContact O-N 2.87Å; G406-K409 PolarHBondContact O-N 3.16Å; G406-Y410 WeakPolarHBondContact O-CB 3.44Å; G406-Y410 PolarHBondContact O-N 2.8Å
407	V	98.9	Very high	98.8	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-69.7	-38.4	177.1	170.2	0	0	0	0	111.9	I108 V382 F397 H403 G405 K409 Y410 L411	I108-V407 HydrophobicContact CD1-CG2 4.08Å; I108-V407 HydrophobicContact CG2-CG2 3.85Å; V382-V407 HydrophobicContact CG1-CG1 3.67Å; V382-V407 HydrophobicContact CG2-CG1 3.97Å; F397-V407 HydrophobicContact CE1-CB 4.41Å; F397-V407 HydrophobicContact CE1-CG1 4.31Å; F397-V407 HydrophobicContact CE1-CG2 4.09Å; F397-V407 HydrophobicContact CZ-CB 4.5Å; F397-V407 HydrophobicContact CZ-CG1 3.95Å; H403-V407 HydrophobicContact CB-CG2 4.19Å; H403-V407 WeakPolarHBondContact O-CB 3.41Å; H403-V407 WeakPolarHBondContact O-CG2 2.98Å; H403-V407 PolarHBondContact O-N 3.2Å; G405-V407 PolarHBondContact O-N 3.44Å; V407-K409 VanDerWaalsContact C-N 3.28Å; V407-K409 PolarHBondContact O-N 2.65Å; V407-Y410 PolarHBondContact O-N 2.91Å; V407-L411 WeakPolarHBondContact O-CB 3.49Å; V407-L411 PolarHBondContact O-N 3.42Å
408	G	98.9	Very high	98.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-57.6	-43.7	173.2	0	0	0	0	0	111.5	A404 G405 S412	A404-G408 PolarHBondContact O-N 3.43Å; G405-G408 PolarHBondContact O-N 3.41Å; G408-S412 WeakPolarHBondContact O-CB 3.39Å; G408-S412 PolarHBondContact O-N 3.04Å; G408-S412 VanDerWaalsContact O-N 3.08Å
409	K	98.9	Very high	98.8	Very high	75 Å²	75	21.6 Å²	21.6	33%	0.326	12%	0.115	S	C	.	.	H	α-helix	trans	-63.4	-50.8	173.1	177.4	168.7	171.1	42.2	0	112.2	H67 G405 G406 V407 L411 S412 D413	H67-K409 PolarHBondContact ND1-N 3.46Å; G405-K409 PolarHBondContact O-N 2.56Å; G406-K409 PolarHBondContact O-N 3.16Å; V407-K409 VanDerWaalsContact C-N 3.28Å; V407-K409 PolarHBondContact O-N 2.65Å; K409-L411 PolarHBondContact O-N 3.34Å; K409-S412 PolarHBondContact O-N 3.31Å; K409-D413 IonicContact NZ-OD1 3.71Å; K409-D413 IonicContact NZ-OD2 2.69Å; K409-D413 PolarHBondContact NZ-OD2 3.42Å; K409-D413 WeakPolarHBondContact O-CB 3.38Å; K409-D413 PolarHBondContact O-N 3Å
410	Y	98.9	Very high	98.8	Very high	4 Å²	4	19 Å²	19	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-55.9	-51.4	-177.3	176	-95.7	0	0	0	112	I108 V382 G406 V407 D413 W414 P420 P421 F422 L424	I108-Y410 HydrophobicContact CD1-CG 4.49Å; V382-Y410 HydrophobicContact CG1-CD1 4Å; V382-Y410 HydrophobicContact CG1-CE1 4.26Å; G406-Y410 WeakPolarHBondContact O-CB 3.44Å; G406-Y410 PolarHBondContact O-N 2.8Å; V407-Y410 PolarHBondContact O-N 2.91Å; Y410-D413 PolarHBondContact O-N 3.47Å; Y410-W414 AromaticContact CE1-CE3 3.7Å; Y410-W414 HydrophobicContact CE1-CE3 3.7Å; Y410-W414 HydrophobicContact CE1-CZ3 4.05Å; Y410-W414 PolarHBondContact O-N 2.86Å; Y410-P420 HydrophobicContact CE2-CB 4.24Å; Y410-P420 WeakPolarHBondContact OH-CB 3.35Å; Y410-P421 HydrophobicContact CD2-CG 3.52Å; Y410-P421 HydrophobicContact CE2-CG 3.84Å; Y410-P421 HydrophobicContact CG-CG 4.33Å; Y410-F422 HydrophobicContact CD2-CD1 4.22Å; Y410-F422 AromaticContact CD2-CE1 3.74Å; Y410-F422 HydrophobicContact CD2-CE1 3.74Å; Y410-F422 HydrophobicContact CD2-CE2 4.13Å; Y410-F422 AromaticContact CD2-CZ 3.7Å; Y410-F422 HydrophobicContact CD2-CZ 3.7Å; Y410-F422 HydrophobicContact CE2-CD2 4.39Å; Y410-F422 HydrophobicContact CE2-CE1 4.4Å; Y410-F422 HydrophobicContact CE2-CE2 4.3Å; Y410-F422 HydrophobicContact CE2-CG 4.5Å; Y410-F422 HydrophobicContact CE2-CZ 4.3Å; Y410-F422 WeakPolarHBondContact CE2-O 3.34Å; Y410-L424 HydrophobicContact CD1-CD1 4.09Å; Y410-L424 HydrophobicContact CD2-CD1 3.53Å; Y410-L424 HydrophobicContact CD2-CG 4.31Å; Y410-L424 HydrophobicContact CE1-CB 4.42Å; Y410-L424 HydrophobicContact CE1-CD1 4.05Å; Y410-L424 HydrophobicContact CE2-CB 4.06Å; Y410-L424 HydrophobicContact CE2-CD1 3.48Å; Y410-L424 VanDerWaalsContact CE2-CD1 3.48Å; Y410-L424 HydrophobicContact CE2-CG 3.81Å; Y410-L424 HydrophobicContact CG-CD1 3.85Å
411	L	98.9	Very high	98.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-72.3	-34.7	-176.6	-160.9	67	0	0	0	111.5	L64 V245 V382 W392 A394 V407 K409 W414 I415	L64-L411 HydrophobicContact CD1-CB 4.03Å; L64-L411 HydrophobicContact CD1-CD2 4.39Å; L64-L411 HydrophobicContact CD1-CG 4.4Å; L64-L411 HydrophobicContact CD2-CD2 3.93Å; V245-L411 HydrophobicContact CG1-CD2 4.13Å; V382-L411 HydrophobicContact CG1-CD1 4.01Å; W392-L411 HydrophobicContact CE3-CD1 3.72Å; W392-L411 HydrophobicContact CE3-CG 4.43Å; W392-L411 HydrophobicContact CZ3-CD1 4.09Å; A394-L411 HydrophobicContact CB-CD2 4.09Å; V407-L411 WeakPolarHBondContact O-CB 3.49Å; V407-L411 PolarHBondContact O-N 3.42Å; K409-L411 PolarHBondContact O-N 3.34Å; L411-W414 PolarHBondContact O-N 3.39Å; L411-I415 HydrophobicContact CG-CD1 4.21Å; L411-I415 WeakPolarHBondContact O-CB 3.11Å; L411-I415 VanDerWaalsContact O-CG1 3.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.18Å; L411-I415 PolarHBondContact O-N 3.4Å
412	S	98.9	Very high	98.8	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.014	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-48	170.8	176.4	0	0	0	0	111.6	L68 G408 K409 W414 I415 L416	L68-S412 PolarHBondContact N-OG 3.39Å; G408-S412 WeakPolarHBondContact O-CB 3.39Å; G408-S412 PolarHBondContact O-N 3.04Å; G408-S412 VanDerWaalsContact O-N 3.08Å; K409-S412 PolarHBondContact O-N 3.31Å; S412-W414 VanDerWaalsContact C-N 3.31Å; S412-W414 PolarHBondContact O-N 3.29Å; S412-I415 PolarHBondContact O-N 3.14Å; S412-L416 WeakPolarHBondContact O-CB 3.26Å; S412-L416 WeakPolarHBondContact O-CG 3.34Å; S412-L416 PolarHBondContact O-N 3.21Å
413	D	98.9	Very high	98.8	Very high	30 Å²	30	20 Å²	20	16%	0.16	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-41.4	177.5	-72.5	-14.9	0	0	0	110.4	K409 Y410 H417 P421	K409-D413 IonicContact NZ-OD1 3.71Å; K409-D413 IonicContact NZ-OD2 2.69Å; K409-D413 PolarHBondContact NZ-OD2 3.42Å; K409-D413 WeakPolarHBondContact O-CB 3.38Å; K409-D413 PolarHBondContact O-N 3Å; Y410-D413 PolarHBondContact O-N 3.47Å; D413-H417 WeakPolarHBondContact O-CB 3.43Å; D413-H417 PolarHBondContact O-N 2.91Å; D413-H417 VanDerWaalsContact O-N 3.09Å; D413-H417 PolarHBondContact O-ND1 3.49Å; D413-P421 HydrophobicContact CB-CB 3.99Å; D413-P421 HydrophobicContact CB-CG 3.87Å
414	W	98.9	Very high	98.8	Very high	11 Å²	11	20.2 Å²	20.2	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-48.6	177.4	-164.7	-7.5	0	0	0	112.3	P384 W392 Y410 L411 S412 L416 H417 G418 E419 P420	P384-W414 VanDerWaalsContact CD-CZ2 3.47Å; P384-W414 HydrophobicContact CG-CH2 3.96Å; P384-W414 HydrophobicContact CG-CZ2 3.62Å; W392-W414 AromaticContact CH2-CD1 3.84Å; W392-W414 HydrophobicContact CH2-CD2 4.21Å; W392-W414 AromaticContact CH2-CG 3.94Å; W392-W414 HydrophobicContact CH2-CG 3.94Å; W392-W414 HydrophobicContact CZ3-CB 4.22Å; W392-W414 AromaticContact CZ3-CD2 3.78Å; W392-W414 HydrophobicContact CZ3-CD2 3.78Å; W392-W414 HydrophobicContact CZ3-CE3 4.17Å; W392-W414 AromaticContact CZ3-CG 3.78Å; W392-W414 HydrophobicContact CZ3-CG 3.78Å; Y410-W414 AromaticContact CE1-CE3 3.7Å; Y410-W414 HydrophobicContact CE1-CE3 3.7Å; Y410-W414 HydrophobicContact CE1-CZ3 4.05Å; Y410-W414 PolarHBondContact O-N 2.86Å; L411-W414 PolarHBondContact O-N 3.39Å; S412-W414 VanDerWaalsContact C-N 3.31Å; S412-W414 PolarHBondContact O-N 3.29Å; W414-L416 VanDerWaalsContact C-N 3.27Å; W414-L416 PolarHBondContact O-N 2.94Å; W414-H417 PolarHBondContact O-N 2.97Å; W414-G418 WeakPolarHBondContact O-CA 3.48Å; W414-G418 PolarHBondContact O-N 3.26Å; W414-E419 WeakPolarHBondContact CA-O 3.36Å; W414-P420 HydrophobicContact CD2-CB 4.01Å; W414-P420 HydrophobicContact CE3-CB 4.13Å; W414-P420 HydrophobicContact CG-CB 4.43Å; W414-P420 HydrophobicContact CZ2-CG 4.43Å; W414-P420 HydrophobicContact CZ3-CB 4.41Å
415	I	98.9	Very high	98.8	Very high	16 Å²	16	21.7 Å²	21.7	8%	0.082	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-41.7	179.6	-73.6	167.2	0	0	0	111.6	L64 L68 M73 V245 W392 L411 S412	L64-I415 HydrophobicContact CD1-CD1 4.49Å; L68-I415 HydrophobicContact CD1-CD1 4.42Å; L68-I415 HydrophobicContact CD2-CB 4.22Å; L68-I415 HydrophobicContact CD2-CD1 4.4Å; L68-I415 HydrophobicContact CD2-CG2 4.01Å; M73-I415 HydrophobicContact CE-CG2 3.66Å; V245-I415 HydrophobicContact CG2-CD1 4.32Å; W392-I415 HydrophobicContact CD2-CD1 4.42Å; W392-I415 HydrophobicContact CD2-CG1 3.96Å; W392-I415 HydrophobicContact CE3-CG1 3.97Å; W392-I415 HydrophobicContact CH2-CG1 4.08Å; W392-I415 HydrophobicContact CZ2-CG1 4.07Å; W392-I415 HydrophobicContact CZ3-CG1 4.01Å; L411-I415 HydrophobicContact CG-CD1 4.21Å; L411-I415 WeakPolarHBondContact O-CB 3.11Å; L411-I415 VanDerWaalsContact O-CG1 3.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.18Å; L411-I415 PolarHBondContact O-N 3.4Å; S412-I415 PolarHBondContact O-N 3.14Å
416	L	98.8	Very high	98.8	Very high	66 Å²	66	24.4 Å²	24.4	35%	0.346	13%	0.129	S	C	.	.	H	α-helix	trans	-79.3	-27.7	-175.3	-72.6	167.6	0	0	0	113.9	L68 A71 M73 S412 W414	L68-L416 HydrophobicContact CD2-CD1 4.4Å; L68-L416 HydrophobicContact CD2-CG 4.28Å; A71-L416 HydrophobicContact CB-CD1 3.4Å; A71-L416 VanDerWaalsContact CB-CD1 3.4Å; M73-L416 HydrophobicContact CB-CD2 4.38Å; M73-L416 HydrophobicContact CE-CD2 3.66Å; M73-L416 HydrophobicContact CE-CG 4.35Å; S412-L416 WeakPolarHBondContact O-CB 3.26Å; S412-L416 WeakPolarHBondContact O-CG 3.34Å; S412-L416 PolarHBondContact O-N 3.21Å; W414-L416 VanDerWaalsContact C-N 3.27Å; W414-L416 PolarHBondContact O-N 2.94Å
417	H	98.7	Very high	98.8	Very high	110 Å²	110	24.4 Å²	24.4	51%	0.509	13%	0.129	S	C	.	.	H	α-helix	trans	-111.5	-9.2	-172.8	-54.7	98.8	0	0	0	113.8	D413 W414 E419	D413-H417 WeakPolarHBondContact O-CB 3.43Å; D413-H417 PolarHBondContact O-N 2.91Å; D413-H417 VanDerWaalsContact O-N 3.09Å; D413-H417 PolarHBondContact O-ND1 3.49Å; W414-H417 PolarHBondContact O-N 2.97Å; H417-E419 PolarHBondContact O-N 2.92Å
418	G	98.4	Very high	98.8	Very high	35 Å²	35	24.6 Å²	24.6	36%	0.361	13%	0.13	S	C	.	.	S	Bend	trans	76.1	4.1	177.8	0	0	0	0	0	115.1	W414	W414-G418 WeakPolarHBondContact O-CA 3.48Å; W414-G418 PolarHBondContact O-N 3.26Å
419	E	98.7	Very high	98.8	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.023	13%	0.13	C	C	.	.	S	Bend	trans	-145.4	151.4	175.9	64.5	178.1	88.6	0	0	110.3	W414 H417 T572 P573 K574	W414-E419 WeakPolarHBondContact CA-O 3.36Å; H417-E419 PolarHBondContact O-N 2.92Å; E419-T572 HydrophobicContact CB-CG2 3.96Å; E419-T572 VanDerWaalsContact OE1-CB 3.31Å; E419-T572 WeakPolarHBondContact OE1-CB 3.43Å; E419-T572 PolarHBondContact OE1-OG1 3.25Å; E419-T572 VanDerWaalsContact OE2-CB 3.24Å; E419-T572 WeakPolarHBondContact OE2-CB 3.23Å; E419-T572 PolarHBondContact OE2-OG1 3.28Å; E419-P573 VanDerWaalsContact OE1-CD 3.26Å; E419-P573 WeakPolarHBondContact OE1-CD 3.5Å; E419-K574 HydrophobicContact CG-CD 4.4Å; E419-K574 WeakPolarHBondContact OE1-CB 3.48Å; E419-K574 VanDerWaalsContact OE1-CG 3.3Å; E419-K574 WeakPolarHBondContact OE1-CG 3.44Å; E419-K574 PolarHBondContact OE1-N 3.15Å; E419-K574 WeakPolarHBondContact OE2-CB 3.43Å
420	P	98.9	Very high	98.8	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.019	12%	0.117	C	C	.	.			trans	-65.6	140.4	177.6	28.9	-35.7	0	0	0	110.9	Y410 W414 F422 C733	Y410-P420 HydrophobicContact CE2-CB 4.24Å; Y410-P420 WeakPolarHBondContact OH-CB 3.35Å; W414-P420 HydrophobicContact CD2-CB 4.01Å; W414-P420 HydrophobicContact CE3-CB 4.13Å; W414-P420 HydrophobicContact CG-CB 4.43Å; W414-P420 HydrophobicContact CZ2-CG 4.43Å; W414-P420 HydrophobicContact CZ3-CB 4.41Å; P420-F422 VanDerWaalsContact C-N 3.29Å; P420-F422 PolarHBondContact O-N 3.3Å; P420-C733 HydrophobicContact CG-CB 3.98Å; P420-C733 VanDerWaalsContact CG-SG 3.59Å
421	P	98.8	Very high	98.8	Very high	36 Å²	36	23 Å²	23	23%	0.234	12%	0.123	C	C	.	.	S	Bend	trans	-69	-26.7	-176.3	27.3	-36.6	0	0	0	114	Y410 D413	Y410-P421 HydrophobicContact CD2-CG 3.52Å; Y410-P421 HydrophobicContact CE2-CG 3.84Å; Y410-P421 HydrophobicContact CG-CG 4.33Å; D413-P421 HydrophobicContact CB-CB 3.99Å; D413-P421 HydrophobicContact CB-CG 3.87Å
422	F	98.9	Very high	98.8	Very high	18 Å²	18	23.8 Å²	23.8	8%	0.079	13%	0.126	C	C	.	.	S	Bend	trans	-154.2	166.7	173.4	57.5	-90.5	0	0	0	107.1	N104 K107 I108 Y410 P420 L424 D734	N104-F422 HydrophobicContact CB-CD2 4.31Å; N104-F422 HydrophobicContact CB-CE2 4.42Å; K107-F422 HydrophobicContact CB-CE2 4.26Å; K107-F422 HydrophobicContact CB-CZ 4.26Å; K107-F422 HydrophobicContact CD-CD1 3.85Å; K107-F422 HydrophobicContact CD-CD2 4.26Å; K107-F422 HydrophobicContact CD-CE1 3.69Å; K107-F422 HydrophobicContact CD-CE2 4.1Å; K107-F422 HydrophobicContact CD-CG 4.13Å; K107-F422 HydrophobicContact CD-CZ 3.82Å; K107-F422 VanDerWaalsContact CE-CE1 3.48Å; K107-F422 HydrophobicContact CG-CE1 4.15Å; K107-F422 HydrophobicContact CG-CE2 4.32Å; K107-F422 HydrophobicContact CG-CZ 3.9Å; I108-F422 HydrophobicContact CD1-CZ 3.88Å; I108-F422 HydrophobicContact CG1-CZ 4.33Å; Y410-F422 HydrophobicContact CD2-CD1 4.22Å; Y410-F422 AromaticContact CD2-CE1 3.74Å; Y410-F422 HydrophobicContact CD2-CE1 3.74Å; Y410-F422 HydrophobicContact CD2-CE2 4.13Å; Y410-F422 AromaticContact CD2-CZ 3.7Å; Y410-F422 HydrophobicContact CD2-CZ 3.7Å; Y410-F422 HydrophobicContact CE2-CD2 4.39Å; Y410-F422 HydrophobicContact CE2-CE1 4.4Å; Y410-F422 HydrophobicContact CE2-CE2 4.3Å; Y410-F422 HydrophobicContact CE2-CG 4.5Å; Y410-F422 HydrophobicContact CE2-CZ 4.3Å; Y410-F422 WeakPolarHBondContact CE2-O 3.34Å; P420-F422 VanDerWaalsContact C-N 3.29Å; P420-F422 PolarHBondContact O-N 3.3Å; F422-L424 HydrophobicContact CD2-CD1 4.43Å; F422-L424 HydrophobicContact CD2-CD2 4.39Å; F422-L424 HydrophobicContact CD2-CG 3.97Å; F422-L424 HydrophobicContact CE2-CD1 3.62Å; F422-L424 HydrophobicContact CE2-CD2 3.86Å; F422-L424 HydrophobicContact CE2-CG 3.55Å; F422-L424 HydrophobicContact CZ-CD1 4.03Å; F422-L424 HydrophobicContact CZ-CG 4.43Å; F422-D734 WeakPolarHBondContact CA-OD1 3.38Å; F422-D734 WeakPolarHBondContact CB-OD1 3.32Å
423	D	98.9	Very high	98.7	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.027	14%	0.141	C	C	.	.			trans	-74.4	132.4	-175.5	-155.5	-91	0	0	0	112	N104 I425 N732 C733 D734	N104-D423 WeakPolarHBondContact CB-O 3.29Å; N104-D423 PolarHBondContact ND2-O 2.92Å; D423-I425 WeakPolarHBondContact OD1-CG2 3.49Å; D423-I425 PolarHBondContact OD1-N 3.4Å; D423-N732 HydrophobicContact CB-CB 4.09Å; D423-N732 VanDerWaalsContact CB-ND2 3.34Å; D423-N732 WeakPolarHBondContact CB-ND2 3.13Å; D423-N732 WeakPolarHBondContact OD2-CB 3.48Å; D423-C733 HydrophobicContact CB-CB 3.99Å; D423-C733 WeakPolarHBondContact OD2-CB 3.46Å; D423-C733 PolarHBondContact OD2-N 3.29Å; D423-C733 PolarHBondContact OD2-SG 2.74Å; D423-D734 PolarHBondContact N-OD1 3.34Å
424	L	98.8	Very high	98.7	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	17%	0.172	C	C	.	.			trans	-142.5	44.6	169.7	-73.8	178.5	0	0	0	110	N104 I108 Y410 F422 E426 L427 D428	N104-L424 HydrophobicContact CB-CD2 3.64Å; I108-L424 HydrophobicContact CD1-CD1 3.78Å; I108-L424 HydrophobicContact CG1-CD1 3.83Å; Y410-L424 HydrophobicContact CD1-CD1 4.09Å; Y410-L424 HydrophobicContact CD2-CD1 3.53Å; Y410-L424 HydrophobicContact CD2-CG 4.31Å; Y410-L424 HydrophobicContact CE1-CB 4.42Å; Y410-L424 HydrophobicContact CE1-CD1 4.05Å; Y410-L424 HydrophobicContact CE2-CB 4.06Å; Y410-L424 HydrophobicContact CE2-CD1 3.48Å; Y410-L424 VanDerWaalsContact CE2-CD1 3.48Å; Y410-L424 HydrophobicContact CE2-CG 3.81Å; Y410-L424 HydrophobicContact CG-CD1 3.85Å; F422-L424 HydrophobicContact CD2-CD1 4.43Å; F422-L424 HydrophobicContact CD2-CD2 4.39Å; F422-L424 HydrophobicContact CD2-CG 3.97Å; F422-L424 HydrophobicContact CE2-CD1 3.62Å; F422-L424 HydrophobicContact CE2-CD2 3.86Å; F422-L424 HydrophobicContact CE2-CG 3.55Å; F422-L424 HydrophobicContact CZ-CD1 4.03Å; F422-L424 HydrophobicContact CZ-CG 4.43Å; L424-E426 VanDerWaalsContact C-OE2 3.27Å; L424-E426 VanDerWaalsContact CA-OE2 3.26Å; L424-E426 WeakPolarHBondContact CA-OE2 3.28Å; L424-E426 WeakPolarHBondContact CD2-OE1 3.42Å; L424-E426 PolarHBondContact O-N 3.4Å; L424-E426 VanDerWaalsContact O-N 3.14Å; L424-L427 HydrophobicContact CB-CB 4.36Å; L424-L427 HydrophobicContact CB-CD1 4.44Å; L424-L427 HydrophobicContact CB-CG 4.33Å; L424-L427 HydrophobicContact CD1-CD1 3.92Å; L424-L427 HydrophobicContact CD2-CD1 4.45Å; L424-L427 WeakPolarHBondContact O-CA 3.37Å; L424-L427 PolarHBondContact O-N 3.31Å; L424-D428 PolarHBondContact O-N 3Å
425	I	98.8	Very high	98.6	Very high	32 Å²	32	32.9 Å²	32.9	16%	0.164	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-60.4	-23.8	178.1	-166.9	168.4	0	0	0	112	D423 L427 D428 H602 W727	D423-I425 WeakPolarHBondContact OD1-CG2 3.49Å; D423-I425 PolarHBondContact OD1-N 3.4Å; I425-L427 PolarHBondContact O-N 2.85Å; I425-L427 VanDerWaalsContact O-N 3.11Å; I425-D428 HydrophobicContact CG1-CB 3.99Å; I425-D428 VanDerWaalsContact O-CB 3.29Å; I425-D428 WeakPolarHBondContact O-CB 3.49Å; I425-D428 PolarHBondContact O-N 2.88Å; I425-H602 HydrophobicContact CD1-CB 3.87Å; I425-W727 HydrophobicContact CB-CH2 4.21Å; I425-W727 HydrophobicContact CD1-CH2 3.38Å; I425-W727 HydrophobicContact CD1-CZ3 3.59Å; I425-W727 HydrophobicContact CG1-CH2 4.35Å; I425-W727 HydrophobicContact CG2-CH2 4.12Å; I425-W727 HydrophobicContact CG2-CZ3 4.32Å
426	E	98.7	Very high	98.6	Very high	58 Å²	58	32.7 Å²	32.7	27%	0.271	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-59.7	-19.9	170.9	68	-93.3	-140.5	0	0	113.6	L105 L379 L424 R431	L105-E426 HydrophobicContact CD1-CG 4.32Å; L379-E426 HydrophobicContact CD1-CB 4.3Å; L379-E426 HydrophobicContact CD1-CG 4.48Å; L424-E426 VanDerWaalsContact C-OE2 3.27Å; L424-E426 VanDerWaalsContact CA-OE2 3.26Å; L424-E426 WeakPolarHBondContact CA-OE2 3.28Å; L424-E426 WeakPolarHBondContact CD2-OE1 3.42Å; L424-E426 PolarHBondContact O-N 3.4Å; L424-E426 VanDerWaalsContact O-N 3.14Å; E426-R431 PolarHBondContact O-NE 2.84Å
427	L	98.9	Very high	98.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-104.3	-1.3	174.4	-57	-168.9	0	0	0	113.4	L105 L379 P380 M381 V382 L424 I425 R431	L105-L427 HydrophobicContact CD1-CD2 4Å; L105-L427 HydrophobicContact CD2-CD1 3.85Å; L105-L427 HydrophobicContact CD2-CD2 4.19Å; L105-L427 HydrophobicContact CD2-CG 4.36Å; L105-L427 HydrophobicContact CG-CD2 4.41Å; L379-L427 HydrophobicContact CB-CD2 3.79Å; L379-L427 HydrophobicContact CD1-CD2 4.31Å; L379-L427 HydrophobicContact CG-CD2 4.46Å; P380-L427 HydrophobicContact CG-CD1 4.16Å; P380-L427 HydrophobicContact CG-CD2 3.82Å; M381-L427 WeakPolarHBondContact CA-O 3.49Å; V382-L427 HydrophobicContact CB-CB 4.14Å; V382-L427 HydrophobicContact CB-CD1 4.41Å; V382-L427 HydrophobicContact CG2-CB 4.41Å; V382-L427 HydrophobicContact CG2-CD1 4.18Å; V382-L427 PolarHBondContact N-O 2.95Å; L424-L427 HydrophobicContact CB-CB 4.36Å; L424-L427 HydrophobicContact CB-CD1 4.44Å; L424-L427 HydrophobicContact CB-CG 4.33Å; L424-L427 HydrophobicContact CD1-CD1 3.92Å; L424-L427 HydrophobicContact CD2-CD1 4.45Å; L424-L427 WeakPolarHBondContact O-CA 3.37Å; L424-L427 PolarHBondContact O-N 3.31Å; I425-L427 PolarHBondContact O-N 2.85Å; I425-L427 VanDerWaalsContact O-N 3.11Å; L427-R431 PolarHBondContact O-NH1 2.83Å
428	D	98.9	Very high	98.6	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	16%	0.158	C	C	.	.			trans	-56.7	130.6	-175.3	-168.5	-71.5	0	0	0	110	L424 I425 N430 R431 H602 R605	L424-D428 PolarHBondContact O-N 3Å; I425-D428 HydrophobicContact CG1-CB 3.99Å; I425-D428 VanDerWaalsContact O-CB 3.29Å; I425-D428 WeakPolarHBondContact O-CB 3.49Å; I425-D428 PolarHBondContact O-N 2.88Å; D428-N430 PolarHBondContact O-N 2.96Å; D428-N430 WeakPolarHBondContact OD1-CA 3.4Å; D428-N430 WeakPolarHBondContact OD1-CB 3.48Å; D428-N430 PolarHBondContact OD1-N 3.17Å; D428-R431 VanDerWaalsContact O-CG 3.31Å; D428-R431 WeakPolarHBondContact O-CG 3.49Å; D428-R431 PolarHBondContact O-N 3.02Å; D428-R431 PolarHBondContact O-NH1 3.29Å; D428-H602 IonicContact OD2-CD2 3.7Å; D428-H602 PolarHBondContact OD2-CD2 2.92Å; D428-R605 IonicContact OD1-NH1 3.72Å; D428-R605 PolarHBondContact OD1-NH1 3.16Å; D428-R605 IonicContact OD2-CZ 2.95Å; D428-R605 VanDerWaalsContact OD2-CZ 3.27Å; D428-R605 IonicContact OD2-NH1 3.67Å; D428-R605 PolarHBondContact OD2-NH1 2.83Å; D428-R605 IonicContact OD2-NH2 2.77Å; D428-R605 PolarHBondContact OD2-NH2 3.41Å
429	P	98.9	Very high	98.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.019	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.2	-176.8	28.1	-36.8	0	0	0	112.9	M381 P384 V393	M381-P429 HydrophobicContact CB-CB 4.01Å; M381-P429 HydrophobicContact CE-CB 4.14Å; M381-P429 WeakPolarHBondContact CE-O 2.96Å; P384-P429 WeakPolarHBondContact O-CG 3.32Å; V393-P429 HydrophobicContact CG2-CB 3.4Å; V393-P429 VanDerWaalsContact CG2-CB 3.4Å; V393-P429 HydrophobicContact CG2-CG 4.01Å
430	N	98.9	Very high	98.7	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.053	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	14.3	-176.4	-53.7	117	0	0	0	113	P384 H385 Q386 D428 Y432 L601 R605	P384-N430 PolarHBondContact O-OD1 2.7Å; H385-N430 PolarHBondContact CE1-ND2 3.11Å; Q386-N430 HydrophobicContact CB-CB 4.38Å; Q386-N430 PolarHBondContact N-ND2 3.15Å; Q386-N430 PolarHBondContact N-OD1 3.37Å; D428-N430 PolarHBondContact O-N 2.96Å; D428-N430 WeakPolarHBondContact OD1-CA 3.4Å; D428-N430 WeakPolarHBondContact OD1-CB 3.48Å; D428-N430 PolarHBondContact OD1-N 3.17Å; N430-Y432 CarbonylContact C-O 3.57Å; N430-Y432 PolarHBondContact O-N 2.91Å; N430-L601 HydrophobicContact CB-CB 3.55Å; N430-L601 HydrophobicContact CB-CD1 4.18Å; N430-R605 PolarHBondContact OD1-NH1 3.45Å
431	R	98.8	Very high	98.7	Very high	35 Å²	35	33.6 Å²	33.6	13%	0.132	17%	0.172	C	C	.	.	S	Bend	trans	-65.2	-17.6	165.6	75.2	-174.2	-179.5	-91.8	9	112.9	D377 L379 P380 E426 L427 D428	D377-R431 IonicContact OD1-CZ 3.7Å; D377-R431 IonicContact OD1-NE 3.58Å; D377-R431 IonicContact OD1-NH2 2.69Å; D377-R431 PolarHBondContact OD1-NH2 3.38Å; D377-R431 IonicContact OD2-CZ 3.57Å; D377-R431 IonicContact OD2-NE 3.81Å; D377-R431 PolarHBondContact OD2-NE 3.07Å; D377-R431 IonicContact OD2-NH2 3.66Å; D377-R431 PolarHBondContact OD2-NH2 3.09Å; L379-R431 PolarHBondContact O-NH2 3.44Å; P380-R431 PolarHBondContact O-NH1 3.07Å; P380-R431 PolarHBondContact O-NH2 3.45Å; P380-R431 VanDerWaalsContact O-NH2 3.11Å; E426-R431 PolarHBondContact O-NE 2.84Å; L427-R431 PolarHBondContact O-NH1 2.83Å; D428-R431 VanDerWaalsContact O-CG 3.31Å; D428-R431 WeakPolarHBondContact O-CG 3.49Å; D428-R431 PolarHBondContact O-N 3.02Å; D428-R431 PolarHBondContact O-NH1 3.29Å
432	Y	98.8	Very high	98.7	Very high	16 Å²	16	34.9 Å²	34.9	6%	0.063	17%	0.174	C	C	.	.			trans	-97.5	164.2	171.8	-58.7	-53.5	0	0	0	111.7	P264 P376 D377 M381 N430 W435 T436	P264-Y432 HydrophobicContact CG-CD2 3.5Å; P264-Y432 VanDerWaalsContact CG-CD2 3.5Å; P264-Y432 HydrophobicContact CG-CE2 4.16Å; P264-Y432 HydrophobicContact CG-CG 3.79Å; P376-Y432 HydrophobicContact CB-CE1 3.95Å; P376-Y432 WeakPolarHBondContact CD-OH 3.26Å; P376-Y432 HydrophobicContact CG-CD1 4.33Å; P376-Y432 HydrophobicContact CG-CE1 3.75Å; P376-Y432 HydrophobicContact CG-CE2 4.46Å; D377-Y432 PolarHBondContact N-OH 2.88Å; D377-Y432 PolarHBondContact OD1-OH 3.37Å; D377-Y432 PolarHBondContact OD2-OH 3.42Å; M381-Y432 HydrophobicContact CG-CD2 4.27Å; M381-Y432 HydrophobicContact CG-CE2 4.06Å; M381-Y432 HydrophobicContact SD-CD2 4.13Å; M381-Y432 HydrophobicContact SD-CE2 4.23Å; N430-Y432 CarbonylContact C-O 3.57Å; N430-Y432 PolarHBondContact O-N 2.91Å; Y432-W435 AromaticContact CD1-CH2 3.89Å; Y432-W435 HydrophobicContact CD1-CH2 3.89Å; Y432-W435 HydrophobicContact CD1-CZ2 4.22Å; Y432-W435 HydrophobicContact CE1-CH2 4.48Å; Y432-T436 WeakPolarHBondContact CB-OG1 3.42Å; Y432-T436 HydrophobicContact CD1-CG2 3.72Å; Y432-T436 HydrophobicContact CE1-CG2 4.4Å; Y432-T436 HydrophobicContact CG-CG2 4.02Å
433	G	96.9	Very high	98.7	Very high	32 Å²	32	35.7 Å²	35.7	33%	0.33	18%	0.184	S	C	.	.			trans	-158.4	-156.7	178.9	0	0	0	0	0	112.7	W435 T436	G433-W435 PolarHBondContact O-N 2.83Å; G433-W435 VanDerWaalsContact O-N 3.11Å; G433-T436 PolarHBondContact N-OG1 2.86Å; G433-T436 VanDerWaalsContact N-OG1 3.14Å; G433-T436 WeakPolarHBondContact O-CB 3.45Å; G433-T436 PolarHBondContact O-N 2.86Å; G433-T436 PolarHBondContact O-OG1 3.19Å
434	K	97.7	Very high	98.7	Very high	189 Å²	189	36.1 Å²	36.1	82%	0.822	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.5	-177.6	-61.1	175.4	-175.3	170.5	0	113.5	T436	K434-T436 VanDerWaalsContact C-N 3.25Å; K434-T436 PolarHBondContact O-N 2.78Å
435	W	98.6	Very high	98.7	Very high	14 Å²	14	36 Å²	36	5%	0.053	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-18.7	178.1	60.5	-96.1	0	0	0	113.2	Y432 G433 T437 Y440 T468 R470 F486 A488	Y432-W435 AromaticContact CD1-CH2 3.89Å; Y432-W435 HydrophobicContact CD1-CH2 3.89Å; Y432-W435 HydrophobicContact CD1-CZ2 4.22Å; Y432-W435 HydrophobicContact CE1-CH2 4.48Å; G433-W435 PolarHBondContact O-N 2.83Å; G433-W435 VanDerWaalsContact O-N 3.11Å; W435-T437 PolarHBondContact O-N 3.5Å; W435-Y440 HydrophobicContact CE3-CD1 4.47Å; W435-Y440 HydrophobicContact CE3-CE1 4.39Å; W435-Y440 HydrophobicContact CH2-CE1 4.36Å; W435-Y440 AromaticContact CZ3-CD1 4Å; W435-Y440 HydrophobicContact CZ3-CD1 4Å; W435-Y440 AromaticContact CZ3-CE1 3.53Å; W435-Y440 HydrophobicContact CZ3-CE1 3.53Å; W435-Y440 HydrophobicContact CZ3-CE2 4.19Å; W435-Y440 AromaticContact CZ3-CZ 3.64Å; W435-T468 HydrophobicContact CE3-CG2 4.09Å; W435-R470 HydrophobicContact CB-CB 3.92Å; W435-R470 HydrophobicContact CG-CB 4.4Å; W435-F486 HydrophobicContact CE3-CZ 4.39Å; W435-F486 HydrophobicContact CH2-CE1 4.31Å; W435-F486 AromaticContact CH2-CZ 3.73Å; W435-F486 HydrophobicContact CH2-CZ 3.73Å; W435-F486 HydrophobicContact CZ3-CE2 4.37Å; W435-F486 AromaticContact CZ3-CZ 3.6Å; W435-F486 HydrophobicContact CZ3-CZ 3.6Å; W435-A488 VanDerWaalsContact CE2-C 3.46Å; W435-A488 PolarHBondContact NE1-O 2.86Å
436	T	98.8	Very high	98.7	Very high	12 Å²	12	37.3 Å²	37.3	7%	0.074	19%	0.188	C	C	.	.			trans	-84.2	60	-179.3	-38.8	0	0	0	0	109.9	P264 P376 Y432 G433 K434 Y440	P264-T436 HydrophobicContact CB-CG2 3.49Å; P264-T436 VanDerWaalsContact CB-CG2 3.49Å; P264-T436 HydrophobicContact CG-CG2 4Å; P376-T436 HydrophobicContact CG-CG2 3.7Å; Y432-T436 WeakPolarHBondContact CB-OG1 3.42Å; Y432-T436 HydrophobicContact CD1-CG2 3.72Å; Y432-T436 HydrophobicContact CE1-CG2 4.4Å; Y432-T436 HydrophobicContact CG-CG2 4.02Å; G433-T436 PolarHBondContact N-OG1 2.86Å; G433-T436 VanDerWaalsContact N-OG1 3.14Å; G433-T436 WeakPolarHBondContact O-CB 3.45Å; G433-T436 PolarHBondContact O-N 2.86Å; G433-T436 PolarHBondContact O-OG1 3.19Å; K434-T436 VanDerWaalsContact C-N 3.25Å; K434-T436 PolarHBondContact O-N 2.78Å; T436-Y440 HydrophobicContact CG2-CD1 3.75Å; T436-Y440 HydrophobicContact CG2-CE1 4.15Å
437	T	98.9	Very high	98.7	Very high	37 Å²	37	34.9 Å²	34.9	23%	0.227	18%	0.177	C	C	.	.			trans	-63.9	168.5	-179.6	74	0	0	0	0	111.3	W435 Q439 Y440 T441	W435-T437 PolarHBondContact O-N 3.5Å; T437-Q439 VanDerWaalsContact CB-OE1 3.31Å; T437-Q439 PolarHBondContact O-N 2.8Å; T437-Q439 PolarHBondContact OG1-N 2.82Å; T437-Q439 PolarHBondContact OG1-OE1 3.36Å; T437-Y440 PolarHBondContact O-N 3.3Å; T437-Y440 PolarHBondContact OG1-N 2.96Å; T437-T441 WeakPolarHBondContact O-CB 3.32Å; T437-T441 PolarHBondContact O-N 3.29Å; T437-T441 PolarHBondContact O-OG1 2.73Å
438	T	98.7	Very high	98.7	Very high	53 Å²	53	35 Å²	35	33%	0.325	18%	0.178	S	C	.	.	H	α-helix	trans	-60.5	-34.1	174.9	54.4	0	0	0	0	112	V325 T441 E442	V325-T438 HydrophobicContact CG1-CG2 3.79Å; T438-T441 PolarHBondContact O-N 2.73Å; T438-E442 WeakPolarHBondContact O-CB 3.44Å; T438-E442 PolarHBondContact O-N 2.79Å
439	Q	98.8	Very high	98.7	Very high	129 Å²	129	34.8 Å²	34.8	60%	0.603	18%	0.177	S	C	*	.	H	α-helix	trans	-65.5	-46	176	-62.1	76.5	18.3	0	0	111.7	T437 T441 A443	T437-Q439 VanDerWaalsContact CB-OE1 3.31Å; T437-Q439 PolarHBondContact O-N 2.8Å; T437-Q439 PolarHBondContact OG1-N 2.82Å; T437-Q439 PolarHBondContact OG1-OE1 3.36Å; Q439-T441 VanDerWaalsContact C-N 3.33Å; Q439-A443 WeakPolarHBondContact O-CB 3.26Å; Q439-A443 PolarHBondContact O-N 2.93Å; Q439-A443 VanDerWaalsContact O-N 3.08Å
440	Y	98.9	Very high	98.7	Very high	14 Å²	14	35.3 Å²	35.3	6%	0.055	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-45	173.9	177.5	-87.6	0	0	0	110.9	P376 W435 T436 T437 E442 A443 K444 G465 T468 F486	P376-Y440 HydrophobicContact CB-CD1 4.34Å; P376-Y440 HydrophobicContact CB-CE1 3.74Å; P376-Y440 HydrophobicContact CG-CD1 4.29Å; P376-Y440 HydrophobicContact CG-CE1 4.08Å; W435-Y440 HydrophobicContact CE3-CD1 4.47Å; W435-Y440 HydrophobicContact CE3-CE1 4.39Å; W435-Y440 HydrophobicContact CH2-CE1 4.36Å; W435-Y440 AromaticContact CZ3-CD1 4Å; W435-Y440 HydrophobicContact CZ3-CD1 4Å; W435-Y440 AromaticContact CZ3-CE1 3.53Å; W435-Y440 HydrophobicContact CZ3-CE1 3.53Å; W435-Y440 HydrophobicContact CZ3-CE2 4.19Å; W435-Y440 AromaticContact CZ3-CZ 3.64Å; T436-Y440 HydrophobicContact CG2-CD1 3.75Å; T436-Y440 HydrophobicContact CG2-CE1 4.15Å; T437-Y440 PolarHBondContact O-N 3.3Å; T437-Y440 PolarHBondContact OG1-N 2.96Å; Y440-E442 PolarHBondContact O-N 3.4Å; Y440-A443 PolarHBondContact O-N 2.82Å; Y440-K444 HydrophobicContact CD1-CB 4.39Å; Y440-K444 HydrophobicContact CE1-CB 3.96Å; Y440-K444 HydrophobicContact CE1-CG 4.13Å; Y440-K444 HydrophobicContact CE2-CD 4.41Å; Y440-K444 VanDerWaalsContact O-CB 3.28Å; Y440-K444 WeakPolarHBondContact O-CB 3.38Å; Y440-K444 PolarHBondContact O-N 2.95Å; Y440-G465 WeakPolarHBondContact CD2-O 3.39Å; Y440-T468 HydrophobicContact CD2-CG2 3.91Å; Y440-T468 HydrophobicContact CE2-CG2 3.95Å; Y440-F486 HydrophobicContact CE2-CE2 4.11Å; Y440-F486 HydrophobicContact CE2-CZ 4.16Å; Y440-F486 AromaticContact CZ-CZ 3.84Å; Y440-F486 WeakPolarHBondContact OH-CZ 3.45Å
441	T	98.9	Very high	98.7	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-47.9	-179.2	-58.9	0	0	0	0	111.4	P264 I266 P376 T437 T438 Q439 A445	P264-T441 HydrophobicContact CB-CG2 4.37Å; P264-T441 WeakPolarHBondContact CB-OG1 3.42Å; I266-T441 HydrophobicContact CB-CG2 4.3Å; I266-T441 HydrophobicContact CG2-CG2 4.06Å; P376-T441 HydrophobicContact CG-CG2 4.36Å; T437-T441 WeakPolarHBondContact O-CB 3.32Å; T437-T441 PolarHBondContact O-N 3.29Å; T437-T441 PolarHBondContact O-OG1 2.73Å; T438-T441 PolarHBondContact O-N 2.73Å; Q439-T441 VanDerWaalsContact C-N 3.33Å; T441-A445 WeakPolarHBondContact O-CB 3.25Å; T441-A445 PolarHBondContact O-N 3.25Å
442	E	98.9	Very high	98.7	Very high	63 Å²	63	37.2 Å²	37.2	29%	0.294	19%	0.192	S	C	.	.	H	α-helix	trans	-63	-52.1	177.3	-178.1	-179.3	162.8	0	0	111.8	I266 V320 T438 Y440 K444 A445 R446	I266-E442 HydrophobicContact CD1-CB 3.92Å; I266-E442 HydrophobicContact CD1-CG 3.85Å; V320-E442 HydrophobicContact CG2-CG 4.14Å; T438-E442 WeakPolarHBondContact O-CB 3.44Å; T438-E442 PolarHBondContact O-N 2.79Å; Y440-E442 PolarHBondContact O-N 3.4Å; E442-K444 VanDerWaalsContact C-N 3.3Å; E442-K444 PolarHBondContact O-N 3.11Å; E442-A445 PolarHBondContact O-N 3.12Å; E442-R446 VanDerWaalsContact O-CB 3.28Å; E442-R446 WeakPolarHBondContact O-CB 3.29Å; E442-R446 PolarHBondContact O-N 3.49Å
443	A	98.9	Very high	98.7	Very high	35 Å²	35	36.7 Å²	36.7	29%	0.289	19%	0.19	S	C	.	.	H	α-helix	trans	-58.7	-43.5	-177.9	0	0	0	0	0	111.7	Q439 Y440 E447	Q439-A443 WeakPolarHBondContact O-CB 3.26Å; Q439-A443 PolarHBondContact O-N 2.93Å; Q439-A443 VanDerWaalsContact O-N 3.08Å; Y440-A443 PolarHBondContact O-N 2.82Å; A443-E447 PolarHBondContact O-N 3.03Å; A443-E447 VanDerWaalsContact O-N 3.15Å
444	K	98.9	Very high	98.7	Very high	14 Å²	14	38.1 Å²	38.1	6%	0.061	19%	0.19	C	C	.	.	H	α-helix	trans	-77.3	-37.9	-177.5	-154.3	72.9	178.3	168.2	0	113	P376 Y440 E442 R446 E447 S448 A464	P376-K444 HydrophobicContact CB-CB 3.86Å; P376-K444 HydrophobicContact CB-CG 3.96Å; P376-K444 CarbonylContact O-C 3.56Å; P376-K444 VanDerWaalsContact O-CG 3.26Å; P376-K444 WeakPolarHBondContact O-CG 3.22Å; Y440-K444 HydrophobicContact CD1-CB 4.39Å; Y440-K444 HydrophobicContact CE1-CB 3.96Å; Y440-K444 HydrophobicContact CE1-CG 4.13Å; Y440-K444 HydrophobicContact CE2-CD 4.41Å; Y440-K444 VanDerWaalsContact O-CB 3.28Å; Y440-K444 WeakPolarHBondContact O-CB 3.38Å; Y440-K444 PolarHBondContact O-N 2.95Å; E442-K444 VanDerWaalsContact C-N 3.3Å; E442-K444 PolarHBondContact O-N 3.11Å; K444-R446 VanDerWaalsContact C-N 3.3Å; K444-R446 PolarHBondContact O-N 3.14Å; K444-E447 WeakPolarHBondContact CD-OE2 3.45Å; K444-E447 WeakPolarHBondContact CE-OE2 3.43Å; K444-E447 IonicContact NZ-OE1 2.76Å; K444-E447 IonicContact NZ-OE2 2.8Å; K444-E447 PolarHBondContact NZ-OE2 3.01Å; K444-E447 PolarHBondContact O-N 2.83Å; K444-S448 WeakPolarHBondContact O-CB 3.23Å; K444-S448 PolarHBondContact O-N 3.03Å; K444-S448 PolarHBondContact O-OG 3.31Å; K444-A464 HydrophobicContact CD-CB 4.37Å; K444-A464 VanDerWaalsContact CD-O 3.24Å; K444-A464 WeakPolarHBondContact CD-O 3.41Å; K444-A464 PolarHBondContact NZ-O 2.88Å
445	A	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-37.5	174.4	0	0	0	0	0	111.7	I266 Y374 T441 E442 S448 Y449	I266-A445 HydrophobicContact CG2-CB 3.4Å; Y374-A445 HydrophobicContact CD1-CB 4.49Å; T441-A445 WeakPolarHBondContact O-CB 3.25Å; T441-A445 PolarHBondContact O-N 3.25Å; E442-A445 PolarHBondContact O-N 3.12Å; A445-S448 PolarHBondContact O-N 2.57Å; A445-Y449 WeakPolarHBondContact O-CB 3.44Å; A445-Y449 PolarHBondContact O-N 2.91Å
446	R	98.9	Very high	98.8	Very high	61 Å²	61	30.1 Å²	30.1	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-45.6	173.1	175.5	178.5	-67.6	-77	-0.2	112.1	Q315 M318 E442 K444 Y449 G450	Q315-R446 HydrophobicContact CB-CG 3.99Å; Q315-R446 WeakPolarHBondContact O-CD 3.41Å; Q315-R446 WeakPolarHBondContact O-CG 3.33Å; Q315-R446 PolarHBondContact O-NH1 3Å; M318-R446 HydrophobicContact CG-CG 4.13Å; M318-R446 PolarHBondContact O-NH1 3.16Å; M318-R446 HydrophobicContact SD-CB 4.07Å; M318-R446 HydrophobicContact SD-CG 3.79Å; M318-R446 PolarHBondContact SD-NH1 2.94Å; M318-R446 VanDerWaalsContact SD-NH1 3.35Å; E442-R446 VanDerWaalsContact O-CB 3.28Å; E442-R446 WeakPolarHBondContact O-CB 3.29Å; E442-R446 PolarHBondContact O-N 3.49Å; K444-R446 VanDerWaalsContact C-N 3.3Å; K444-R446 PolarHBondContact O-N 3.14Å; R446-Y449 PolarHBondContact O-N 3.42Å; R446-G450 PolarHBondContact O-N 3.26Å; R446-G450 VanDerWaalsContact O-N 3.11Å
447	E	98.9	Very high	98.8	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-49.1	173.3	-173.9	-170.3	-121.1	0	0	111	A443 K444 Y449 G450 F451 R462 F463 A464	A443-E447 PolarHBondContact O-N 3.03Å; A443-E447 VanDerWaalsContact O-N 3.15Å; K444-E447 WeakPolarHBondContact CD-OE2 3.45Å; K444-E447 WeakPolarHBondContact CE-OE2 3.43Å; K444-E447 IonicContact NZ-OE1 2.76Å; K444-E447 IonicContact NZ-OE2 2.8Å; K444-E447 PolarHBondContact NZ-OE2 3.01Å; K444-E447 PolarHBondContact O-N 2.83Å; E447-Y449 VanDerWaalsContact C-N 3.26Å; E447-Y449 PolarHBondContact O-N 3.06Å; E447-G450 PolarHBondContact O-N 3.39Å; E447-G450 VanDerWaalsContact O-N 3.14Å; E447-F451 HydrophobicContact CG-CD1 4.43Å; E447-F451 HydrophobicContact CG-CD2 3.79Å; E447-F451 HydrophobicContact CG-CE1 4.38Å; E447-F451 HydrophobicContact CG-CE2 3.75Å; E447-F451 HydrophobicContact CG-CG 4.15Å; E447-F451 HydrophobicContact CG-CZ 4.05Å; E447-F451 VanDerWaalsContact O-CB 3.23Å; E447-F451 WeakPolarHBondContact O-CB 3.36Å; E447-F451 WeakPolarHBondContact O-CG 3.18Å; E447-F451 PolarHBondContact O-N 3.47Å; E447-R462 WeakPolarHBondContact OE2-CB 3.39Å; E447-R462 WeakPolarHBondContact OE2-CD 3.26Å; E447-F463 PolarHBondContact OE1-N 3.17Å; E447-F463 VanDerWaalsContact OE1-N 3.08Å; E447-A464 HydrophobicContact CB-CB 3.62Å; E447-A464 HydrophobicContact CG-CB 3.96Å; E447-A464 WeakPolarHBondContact OE1-CB 3.29Å; E447-A464 PolarHBondContact OE1-N 3.33Å
448	S	98.9	Very high	98.8	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-31.8	179.3	-71.9	0	0	0	0	113.5	P376 K444 A445	P376-S448 PolarHBondContact O-OG 3.32Å; K444-S448 WeakPolarHBondContact O-CB 3.23Å; K444-S448 PolarHBondContact O-N 3.03Å; K444-S448 PolarHBondContact O-OG 3.31Å; A445-S448 PolarHBondContact O-N 2.57Å
449	Y	98.9	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.1	-54	170.6	-177.4	-86.1	0	0	0	111.7	V268 H270 P311 Y312 E313 M318 Y374 A445 R446 E447 F451 N452	V268-Y449 HydrophobicContact CG2-CD2 4.22Å; H270-Y449 HydrophobicContact CB-CE2 4.15Å; H270-Y449 PolarHBondContact ND1-OH 3.08Å; H270-Y449 VanDerWaalsContact ND1-OH 3.17Å; P311-Y449 PolarHBondContact O-OH 2.75Å; Y312-Y449 AromaticContact CD1-CD2 3.94Å; Y312-Y449 HydrophobicContact CD1-CD2 3.94Å; Y312-Y449 HydrophobicContact CD1-CE1 4.27Å; Y312-Y449 AromaticContact CD1-CE2 3.67Å; Y312-Y449 HydrophobicContact CD1-CE2 3.67Å; Y312-Y449 HydrophobicContact CD1-CG 4.35Å; Y312-Y449 AromaticContact CD1-CZ 3.86Å; Y312-Y449 HydrophobicContact CE1-CD2 4.28Å; Y312-Y449 HydrophobicContact CE1-CE2 4.03Å; E313-Y449 HydrophobicContact CG-CE1 4.17Å; E313-Y449 WeakPolarHBondContact O-CE1 3.42Å; E313-Y449 VanDerWaalsContact OE2-CE1 3.27Å; E313-Y449 WeakPolarHBondContact OE2-CE1 3.15Å; E313-Y449 VanDerWaalsContact OE2-CZ 3.31Å; E313-Y449 PolarHBondContact OE2-OH 3.25Å; M318-Y449 HydrophobicContact CB-CD1 3.55Å; M318-Y449 HydrophobicContact CB-CE1 3.57Å; M318-Y449 HydrophobicContact CB-CG 4.43Å; M318-Y449 HydrophobicContact CE-CD1 3.84Å; M318-Y449 HydrophobicContact CE-CD2 3.98Å; M318-Y449 HydrophobicContact CE-CE1 4.5Å; M318-Y449 HydrophobicContact CE-CG 3.54Å; M318-Y449 HydrophobicContact CG-CD1 3.77Å; M318-Y449 HydrophobicContact CG-CE1 4.31Å; M318-Y449 HydrophobicContact CG-CG 4.39Å; Y374-Y449 HydrophobicContact CE1-CD2 4.13Å; A445-Y449 WeakPolarHBondContact O-CB 3.44Å; A445-Y449 PolarHBondContact O-N 2.91Å; R446-Y449 PolarHBondContact O-N 3.42Å; E447-Y449 VanDerWaalsContact C-N 3.26Å; E447-Y449 PolarHBondContact O-N 3.06Å; Y449-F451 PolarHBondContact O-N 3.1Å; Y449-N452 WeakPolarHBondContact O-CB 3.33Å; Y449-N452 PolarHBondContact O-N 3.08Å
450	G	98.6	Very high	98.8	Very high	13 Å²	13	30.1 Å²	30.1	13%	0.134	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-27.6	-179.4	0	0	0	0	0	113.1	R446 E447 N452	R446-G450 PolarHBondContact O-N 3.26Å; R446-G450 VanDerWaalsContact O-N 3.11Å; E447-G450 PolarHBondContact O-N 3.39Å; E447-G450 VanDerWaalsContact O-N 3.14Å; G450-N452 VanDerWaalsContact C-N 3.27Å; G450-N452 PolarHBondContact O-N 3.06Å
451	F	98.8	Very high	98.8	Very high	60 Å²	60	30.5 Å²	30.5	26%	0.263	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	16.8	180	-75.5	13.8	0	0	0	113.1	E447 Y449 N453 I454 R462	E447-F451 HydrophobicContact CG-CD1 4.43Å; E447-F451 HydrophobicContact CG-CD2 3.79Å; E447-F451 HydrophobicContact CG-CE1 4.38Å; E447-F451 HydrophobicContact CG-CE2 3.75Å; E447-F451 HydrophobicContact CG-CG 4.15Å; E447-F451 HydrophobicContact CG-CZ 4.05Å; E447-F451 VanDerWaalsContact O-CB 3.23Å; E447-F451 WeakPolarHBondContact O-CB 3.36Å; E447-F451 WeakPolarHBondContact O-CG 3.18Å; E447-F451 PolarHBondContact O-N 3.47Å; Y449-F451 PolarHBondContact O-N 3.1Å; F451-N453 PolarHBondContact O-N 3.4Å; F451-N453 VanDerWaalsContact O-N 3.15Å; F451-I454 HydrophobicContact CB-CD1 3.89Å; F451-I454 HydrophobicContact CB-CG1 3.86Å; F451-I454 HydrophobicContact CB-CG2 4.27Å; F451-I454 HydrophobicContact CD1-CD1 4.39Å; F451-I454 HydrophobicContact CD1-CG2 3.91Å; F451-I454 HydrophobicContact CD2-CD1 3.43Å; F451-I454 VanDerWaalsContact CD2-CD1 3.43Å; F451-I454 HydrophobicContact CD2-CG1 4.33Å; F451-I454 HydrophobicContact CE2-CD1 4Å; F451-I454 HydrophobicContact CG-CD1 3.66Å; F451-I454 HydrophobicContact CG-CG1 4.09Å; F451-I454 HydrophobicContact CG-CG2 4.11Å; F451-I454 WeakPolarHBondContact O-CG1 3.5Å; F451-R462 HydrophobicContact CD2-CG 4.24Å; F451-R462 HydrophobicContact CE2-CG 4.23Å
452	N	98.7	Very high	98.7	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.134	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.1	-177.7	-153.3	-104.5	0	0	0	113.8	Y312 Y399 Y449 G450	Y312-N452 HydrophobicContact CD1-CB 3.63Å; Y312-N452 HydrophobicContact CD2-CB 3.93Å; Y312-N452 WeakPolarHBondContact CD2-OD1 3.35Å; Y312-N452 HydrophobicContact CE1-CB 4.14Å; Y312-N452 HydrophobicContact CE2-CB 4.38Å; Y312-N452 WeakPolarHBondContact CE2-OD1 3.39Å; Y312-N452 HydrophobicContact CG-CB 3.5Å; Y399-N452 VanDerWaalsContact OH-CG 3.25Å; Y399-N452 PolarHBondContact OH-ND2 3.38Å; Y399-N452 PolarHBondContact OH-OD1 3.24Å; Y449-N452 WeakPolarHBondContact O-CB 3.33Å; Y449-N452 PolarHBondContact O-N 3.08Å; G450-N452 VanDerWaalsContact C-N 3.27Å; G450-N452 PolarHBondContact O-N 3.06Å
453	N	98.8	Very high	98.7	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.027	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	15	-172.5	-58.7	-59.7	0	0	0	113.5	R143 R292 L294 S297 F451	R143-N453 PolarHBondContact NH1-O 3.03Å; R143-N453 PolarHBondContact NH2-O 2.79Å; R292-N453 WeakPolarHBondContact CD-OD1 3.33Å; L294-N453 HydrophobicContact CD2-CB 4.26Å; L294-N453 WeakPolarHBondContact O-CB 3.39Å; S297-N453 WeakPolarHBondContact CA-ND2 3.31Å; S297-N453 PolarHBondContact OG-ND2 3.19Å; F451-N453 PolarHBondContact O-N 3.4Å; F451-N453 VanDerWaalsContact O-N 3.15Å
454	I	98.6	Very high	98.7	Very high	63 Å²	63	34.7 Å²	34.7	32%	0.323	17%	0.169	S	C	.	.	S	Bend	trans	-64.6	169.6	170.9	65.1	157.5	0	0	0	110.7	R143 F451 G456	R143-I454 VanDerWaalsContact NH1-C 3.26Å; R143-I454 PolarHBondContact NH1-O 3.12Å; R143-I454 PolarHBondContact NH2-O 3.39Å; F451-I454 HydrophobicContact CB-CD1 3.89Å; F451-I454 HydrophobicContact CB-CG1 3.86Å; F451-I454 HydrophobicContact CB-CG2 4.27Å; F451-I454 HydrophobicContact CD1-CD1 4.39Å; F451-I454 HydrophobicContact CD1-CG2 3.91Å; F451-I454 HydrophobicContact CD2-CD1 3.43Å; F451-I454 VanDerWaalsContact CD2-CD1 3.43Å; F451-I454 HydrophobicContact CD2-CG1 4.33Å; F451-I454 HydrophobicContact CE2-CD1 4Å; F451-I454 HydrophobicContact CG-CD1 3.66Å; F451-I454 HydrophobicContact CG-CG1 4.09Å; F451-I454 HydrophobicContact CG-CG2 4.11Å; F451-I454 WeakPolarHBondContact O-CG1 3.5Å; I454-G456 PolarHBondContact O-N 2.88Å
455	V	98.8	Very high	98.7	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.097	18%	0.181	C	C	.	.			trans	-70.9	119.2	177.7	-176.2	0	0	0	0	108	V142 R143 E146 Y457 F509	V142-V455 HydrophobicContact CG1-CG2 4.11Å; V142-V455 HydrophobicContact CG2-CG1 4.3Å; V142-V455 HydrophobicContact CG2-CG2 4.49Å; R143-V455 VanDerWaalsContact CZ-CA 3.44Å; R143-V455 VanDerWaalsContact NH2-CG2 3.27Å; E146-V455 HydrophobicContact CB-CG1 4.41Å; V455-Y457 HydrophobicContact CB-CD2 3.89Å; V455-Y457 HydrophobicContact CB-CE2 3.46Å; V455-Y457 VanDerWaalsContact CB-CE2 3.46Å; V455-Y457 HydrophobicContact CG1-CD1 4Å; V455-Y457 HydrophobicContact CG1-CD2 3.79Å; V455-Y457 HydrophobicContact CG1-CE1 3.73Å; V455-Y457 HydrophobicContact CG1-CE2 3.53Å; V455-Y457 HydrophobicContact CG1-CG 4.03Å; V455-Y457 VanDerWaalsContact CG1-CZ 3.5Å; V455-Y457 HydrophobicContact CG2-CE2 4.22Å; V455-Y457 WeakPolarHBondContact O-CD2 3.06Å; V455-Y457 PolarHBondContact O-N 3.03Å; V455-Y457 VanDerWaalsContact O-N 3.11Å; V455-F509 HydrophobicContact CG1-CE2 3.66Å; V455-F509 HydrophobicContact CG1-CZ 3.52Å
456	G	98.6	Very high	98.7	Very high	18 Å²	18	37.8 Å²	37.8	19%	0.186	19%	0.189	C	C	.	.			trans	-78.3	88.3	172.4	0	0	0	0	0	110.5	E146 I454 F509	E146-G456 PolarHBondContact OE1-N 2.85Å; I454-G456 PolarHBondContact O-N 2.88Å; G456-F509 WeakPolarHBondContact O-CE1 3.36Å
457	Y	98.9	Very high	98.7	Very high	55 Å²	55	37.9 Å²	37.9	22%	0.216	20%	0.198	C	C	.	.			trans	-80	152.9	176.3	-69.2	-77.3	0	0	0	111.7	V142 V455 E460 P507 F509	V142-Y457 HydrophobicContact CG2-CE1 3.85Å; V142-Y457 WeakPolarHBondContact CG2-OH 3.32Å; V455-Y457 HydrophobicContact CB-CD2 3.89Å; V455-Y457 HydrophobicContact CB-CE2 3.46Å; V455-Y457 VanDerWaalsContact CB-CE2 3.46Å; V455-Y457 HydrophobicContact CG1-CD1 4Å; V455-Y457 HydrophobicContact CG1-CD2 3.79Å; V455-Y457 HydrophobicContact CG1-CE1 3.73Å; V455-Y457 HydrophobicContact CG1-CE2 3.53Å; V455-Y457 HydrophobicContact CG1-CG 4.03Å; V455-Y457 VanDerWaalsContact CG1-CZ 3.5Å; V455-Y457 HydrophobicContact CG2-CE2 4.22Å; V455-Y457 WeakPolarHBondContact O-CD2 3.06Å; V455-Y457 PolarHBondContact O-N 3.03Å; V455-Y457 VanDerWaalsContact O-N 3.11Å; Y457-E460 PolarHBondContact O-N 3.32Å; Y457-P507 HydrophobicContact CD1-CB 4.42Å; Y457-P507 HydrophobicContact CD2-CB 3.68Å; Y457-P507 HydrophobicContact CD2-CG 3.81Å; Y457-P507 HydrophobicContact CE2-CB 4.29Å; Y457-P507 HydrophobicContact CE2-CG 3.99Å; Y457-P507 HydrophobicContact CG-CB 3.73Å; Y457-P507 HydrophobicContact CG-CG 4.33Å; Y457-F509 HydrophobicContact CD1-CD1 4.4Å; Y457-F509 AromaticContact CD1-CD2 3.81Å; Y457-F509 HydrophobicContact CD1-CD2 3.81Å; Y457-F509 HydrophobicContact CD1-CE1 4.21Å; Y457-F509 AromaticContact CD1-CE2 3.6Å; Y457-F509 HydrophobicContact CD1-CE2 3.6Å; Y457-F509 HydrophobicContact CD1-CG 4.2Å; Y457-F509 AromaticContact CD1-CZ 3.79Å; Y457-F509 HydrophobicContact CD1-CZ 3.79Å; Y457-F509 AromaticContact CE1-CD2 3.74Å; Y457-F509 HydrophobicContact CE1-CD2 3.74Å; Y457-F509 AromaticContact CE1-CE2 3.5Å; Y457-F509 HydrophobicContact CE1-CE2 3.5Å; Y457-F509 HydrophobicContact CE1-CZ 4.11Å; Y457-F509 HydrophobicContact CG-CZ 4.47Å
458	P	98.5	Very high	98.7	Very high	21 Å²	21	38.3 Å²	38.3	14%	0.136	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	147.2	163.1	29.9	-35.7	0	0	0	109.6	Y149 E460 S508 F509 E785	Y149-P458 HydrophobicContact CE2-CB 4.25Å; P458-E460 PolarHBondContact O-N 3.44Å; P458-S508 WeakPolarHBondContact CG-O 3.17Å; P458-F509 HydrophobicContact CG-CD1 4.41Å; P458-E785 WeakPolarHBondContact CB-OE1 3.5Å; P458-E785 VanDerWaalsContact CB-OE2 3.24Å; P458-E785 WeakPolarHBondContact CB-OE2 3.35Å
459	K	98.3	Very high	98.7	Very high	95 Å²	95	45 Å²	45	41%	0.413	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	37.2	-177.5	-46.8	-52.6	179.4	-132.8	0	113.5	E461 E785	K459-E461 PolarHBondContact O-N 2.95Å; K459-E785 WeakPolarHBondContact CE-OE2 3.45Å; K459-E785 IonicContact NZ-OE2 3.6Å; K459-E785 PolarHBondContact NZ-OE2 3.01Å
460	E	98.7	Very high	98.7	Very high	61 Å²	61	45.7 Å²	45.7	29%	0.285	24%	0.235	S	C	.	.			trans	-56.4	130.7	176.9	-172.2	179.3	136.8	0	0	111.5	Y457 P458 R462	Y457-E460 PolarHBondContact O-N 3.32Å; P458-E460 PolarHBondContact O-N 3.44Å; E460-R462 IonicContact OE1-CZ 2.69Å; E460-R462 IonicContact OE1-NE 3.31Å; E460-R462 PolarHBondContact OE1-NE 2.89Å; E460-R462 IonicContact OE1-NH2 3.11Å; E460-R462 PolarHBondContact OE1-NH2 3.39Å
461	E	98.8	Very high	98.6	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.103	24%	0.238	C	C	.	.			trans	-111.5	138	173.2	-63.2	-178.8	-165.7	0	0	110	K459 F463 S483 H494 Y505	K459-E461 PolarHBondContact O-N 2.95Å; E461-F463 HydrophobicContact CB-CE1 4.23Å; E461-F463 HydrophobicContact CB-CZ 3.99Å; E461-S483 PolarHBondContact OE1-OG 3.12Å; E461-H494 IonicContact OE1-CE1 3.27Å; E461-H494 IonicContact OE1-ND1 3.5Å; E461-H494 PolarHBondContact OE1-ND1 3.01Å; E461-Y505 HydrophobicContact CB-CD2 4.06Å; E461-Y505 HydrophobicContact CB-CE2 3.65Å; E461-Y505 HydrophobicContact CG-CD2 4.36Å; E461-Y505 HydrophobicContact CG-CE2 4.02Å; E461-Y505 PolarHBondContact N-OH 2.61Å; E461-Y505 VanDerWaalsContact N-OH 3.09Å; E461-Y505 PolarHBondContact O-OH 3.3Å
462	R	98.6	Very high	98.3	Very high	63 Å²	63	44.1 Å²	44.1	24%	0.238	23%	0.228	C	C	.	.			trans	-127.9	143.6	177.8	-66.5	-168.7	-173.9	-173.2	-1.4	110.2	E447 F451 E460 R466	E447-R462 WeakPolarHBondContact OE2-CB 3.39Å; E447-R462 WeakPolarHBondContact OE2-CD 3.26Å; F451-R462 HydrophobicContact CD2-CG 4.24Å; F451-R462 HydrophobicContact CE2-CG 4.23Å; E460-R462 IonicContact OE1-CZ 2.69Å; E460-R462 IonicContact OE1-NE 3.31Å; E460-R462 PolarHBondContact OE1-NE 2.89Å; E460-R462 IonicContact OE1-NH2 3.11Å; E460-R462 PolarHBondContact OE1-NH2 3.39Å; R462-R466 WeakPolarHBondContact O-CD 3.24Å; R462-R466 PolarHBondContact O-NH1 2.83Å
463	F	98.8	Very high	98	Very high	104 Å²	104	44.7 Å²	44.7	46%	0.456	24%	0.24	S	C	.	.			trans	-114.8	-19.5	-163.9	-54.6	-69.8	0	0	0	113.9	E447 E461 G465 R466 Y505	E447-F463 PolarHBondContact OE1-N 3.17Å; E447-F463 VanDerWaalsContact OE1-N 3.08Å; E461-F463 HydrophobicContact CB-CE1 4.23Å; E461-F463 HydrophobicContact CB-CZ 3.99Å; F463-G465 PolarHBondContact O-N 3.29Å; F463-R466 WeakPolarHBondContact O-CB 3.26Å; F463-R466 PolarHBondContact O-N 2.86Å; F463-Y505 AromaticContact CE2-CD1 3.82Å; F463-Y505 HydrophobicContact CE2-CD1 3.82Å; F463-Y505 HydrophobicContact CE2-CE1 4.21Å; F463-Y505 HydrophobicContact CE2-CG 4.24Å; F463-Y505 AromaticContact CZ-CD1 3.93Å; F463-Y505 HydrophobicContact CZ-CD1 3.93Å; F463-Y505 HydrophobicContact CZ-CD2 4.39Å; F463-Y505 HydrophobicContact CZ-CE1 4.47Å; F463-Y505 AromaticContact CZ-CG 3.87Å; F463-Y505 HydrophobicContact CZ-CG 3.87Å
464	A	98.8	Very high	98	Very high	24 Å²	24	44.5 Å²	44.5	20%	0.198	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	137.1	-179.8	0	0	0	0	0	111.8	K444 E447 R466	K444-A464 HydrophobicContact CD-CB 4.37Å; K444-A464 VanDerWaalsContact CD-O 3.24Å; K444-A464 WeakPolarHBondContact CD-O 3.41Å; K444-A464 PolarHBondContact NZ-O 2.88Å; E447-A464 HydrophobicContact CB-CB 3.62Å; E447-A464 HydrophobicContact CG-CB 3.96Å; E447-A464 WeakPolarHBondContact OE1-CB 3.29Å; E447-A464 PolarHBondContact OE1-N 3.33Å; A464-R466 VanDerWaalsContact C-N 3.28Å; A464-R466 PolarHBondContact O-N 3.47Å
465	G	98.6	Very high	98	Very high	30 Å²	30	42.2 Å²	42.2	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	3.3	178.7	0	0	0	0	0	115.7	Y440 F463	Y440-G465 WeakPolarHBondContact CD2-O 3.39Å; F463-G465 PolarHBondContact O-N 3.29Å
466	R	98.8	Very high	98	Very high	48 Å²	48	47.9 Å²	47.9	18%	0.181	25%	0.251	C	S	.	.			trans	-100.8	149.6	-178.5	-66.3	170	59.2	-159.6	-2.9	112.3	R462 F463 A464 M484 F486 E491	R462-R466 WeakPolarHBondContact O-CD 3.24Å; R462-R466 PolarHBondContact O-NH1 2.83Å; F463-R466 WeakPolarHBondContact O-CB 3.26Å; F463-R466 PolarHBondContact O-N 2.86Å; A464-R466 VanDerWaalsContact C-N 3.28Å; A464-R466 PolarHBondContact O-N 3.47Å; R466-M484 PolarHBondContact NH2-O 3.37Å; R466-F486 HydrophobicContact CG-CD2 3.85Å; R466-F486 HydrophobicContact CG-CE2 4.37Å; R466-E491 WeakPolarHBondContact CB-OE1 3.38Å; R466-E491 WeakPolarHBondContact CG-OE1 3.26Å; R466-E491 IonicContact CZ-OE1 2.8Å; R466-E491 IonicContact CZ-OE2 2.76Å; R466-E491 IonicContact NE-OE1 3.9Å; R466-E491 PolarHBondContact NE-OE1 3.29Å; R466-E491 IonicContact NE-OE2 3.36Å; R466-E491 PolarHBondContact NE-OE2 3.12Å; R466-E491 IonicContact NH2-OE1 3.1Å; R466-E491 IonicContact NH2-OE2 2.69Å; R466-E491 PolarHBondContact NH2-OE2 2.87Å
467	P	98.7	Very high	98	Very high	64 Å²	64	51.8 Å²	51.8	42%	0.416	26%	0.26	S	S	.	.	S	Bend	cis	-73.3	157.3	-9.6	33.1	-37.7	0	0	0	112	V471 Y475 E491	P467-V471 HydrophobicContact CB-CG1 4.32Å; P467-Y475 HydrophobicContact CB-CE1 4.19Å; P467-Y475 HydrophobicContact CB-CE2 4.19Å; P467-Y475 HydrophobicContact CG-CE1 4.02Å; P467-Y475 WeakPolarHBondContact CG-OH 3.41Å; P467-E491 HydrophobicContact CB-CG 3.87Å
468	T	98.8	Very high	97.9	Very high	15 Å²	15	49.4 Å²	49.4	9%	0.092	25%	0.251	C	S	.	.			trans	-86.7	-178.6	173.2	86.8	0	0	0	0	111.6	W435 Y440 R470 F486 G489	W435-T468 HydrophobicContact CE3-CG2 4.09Å; Y440-T468 HydrophobicContact CD2-CG2 3.91Å; Y440-T468 HydrophobicContact CE2-CG2 3.95Å; T468-R470 PolarHBondContact O-N 2.87Å; T468-R470 WeakPolarHBondContact OG1-CB 3.07Å; T468-R470 PolarHBondContact OG1-N 2.77Å; T468-F486 HydrophobicContact CG2-CE2 3.88Å; T468-G489 PolarHBondContact OG1-O 3.28Å
469	Q	98.3	Very high	97.9	Very high	144 Å²	144	52.2 Å²	52.2	67%	0.673	26%	0.263	S	S	*	.	S	Bend	trans	-68.8	-13	172.1	-62.2	174.6	-0.4	0	0	113.4	V471 R688	Q469-V471 VanDerWaalsContact C-N 3.35Å; Q469-V471 PolarHBondContact O-N 3.35Å; Q469-V471 VanDerWaalsContact O-N 3.14Å; Q469-R688 PolarHBondContact O-NH2 2.95Å; Q469-R688 VanDerWaalsContact O-NH2 3.12Å
470	R	98.6	Very high	97.9	Very high	14 Å²	14	52.2 Å²	52.2	5%	0.053	27%	0.274	C	S	.	.			trans	-90	65.4	-174.7	-153.9	-176.7	-160	-172.2	0.5	111.7	W435 T468 A488 W490 E600 T624 D625	W435-R470 HydrophobicContact CB-CB 3.92Å; W435-R470 HydrophobicContact CG-CB 4.4Å; T468-R470 PolarHBondContact O-N 2.87Å; T468-R470 WeakPolarHBondContact OG1-CB 3.07Å; T468-R470 PolarHBondContact OG1-N 2.77Å; R470-A488 PolarHBondContact NH1-O 2.81Å; R470-W490 HydrophobicContact CG-CD2 3.77Å; R470-W490 HydrophobicContact CG-CE3 4.14Å; R470-W490 HydrophobicContact CG-CG 4.29Å; R470-W490 HydrophobicContact CG-CH2 4.09Å; R470-W490 HydrophobicContact CG-CZ2 3.73Å; R470-W490 HydrophobicContact CG-CZ3 4.29Å; R470-W490 VanDerWaalsContact CZ-NE1 3.33Å; R470-W490 VanDerWaalsContact NE-NE1 3.2Å; R470-W490 WeakPolarHBondContact O-CA 3.48Å; R470-E600 IonicContact CZ-OE2 2.79Å; R470-E600 IonicContact NH1-OE2 2.74Å; R470-E600 PolarHBondContact NH1-OE2 2.95Å; R470-E600 VanDerWaalsContact NH1-OE2 3.11Å; R470-E600 IonicContact NH2-OE1 2.77Å; R470-E600 PolarHBondContact NH2-OE1 3.39Å; R470-E600 IonicContact NH2-OE2 3.4Å; R470-E600 PolarHBondContact NH2-OE2 3.28Å; R470-T624 VanDerWaalsContact NH2-CG2 3.29Å; R470-D625 IonicContact CZ-OD1 2.72Å; R470-D625 VanDerWaalsContact CZ-OD1 3.26Å; R470-D625 IonicContact NE-OD1 3.8Å; R470-D625 PolarHBondContact NE-OD1 3.41Å; R470-D625 IonicContact NE-OD2 2.88Å; R470-D625 IonicContact NH2-OD1 3.47Å; R470-D625 PolarHBondContact NH2-OD1 2.96Å; R470-D625 IonicContact NH2-OD2 3.66Å
471	V	98.3	Very high	97.9	Very high	33 Å²	33	53.8 Å²	53.8	20%	0.2	28%	0.281	C	S	.	.			trans	-131.3	137.3	-179.5	-67.2	0	0	0	0	111.9	P467 Q469 Y475 E491 R688	P467-V471 HydrophobicContact CB-CG1 4.32Å; Q469-V471 VanDerWaalsContact C-N 3.35Å; Q469-V471 PolarHBondContact O-N 3.35Å; Q469-V471 VanDerWaalsContact O-N 3.14Å; V471-Y475 HydrophobicContact CB-CG 4.19Å; V471-Y475 HydrophobicContact CG1-CD1 4.49Å; V471-Y475 HydrophobicContact CG1-CD2 4.29Å; V471-Y475 HydrophobicContact CG1-CG 4.07Å; V471-E491 HydrophobicContact CG1-CB 4.2Å; V471-E491 HydrophobicContact CG1-CG 3.94Å; V471-R688 PolarHBondContact O-NE 2.56Å; V471-R688 PolarHBondContact O-NH2 3.39Å
472	S	91.3	Very high	97.9	Very high	7 Å²	7	52.8 Å²	52.8	5%	0.049	28%	0.276	C	S	.	.			trans	-75.7	169.7	169	73.2	0	0	0	0	110.5	L474 Y475	S472-L474 PolarHBondContact O-N 3.08Å; S472-L474 VanDerWaalsContact O-N 3.1Å; S472-L474 WeakPolarHBondContact OG-CB 3.36Å; S472-L474 PolarHBondContact OG-N 3.32Å; S472-Y475 WeakPolarHBondContact O-CB 3.24Å; S472-Y475 PolarHBondContact O-N 2.93Å; S472-Y475 VanDerWaalsContact O-N 3.15Å
473	G	93.4	Very high	98	Very high	37 Å²	37	50.4 Å²	50.4	38%	0.381	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.6	170.2	0	0	0	0	0	113.1	Y475 Q476 V692	G473-Y475 VanDerWaalsContact C-N 3.3Å; G473-Y475 PolarHBondContact O-N 3.31Å; G473-Q476 PolarHBondContact O-N 3.35Å; G473-V692 VanDerWaalsContact O-CG2 3.27Å; G473-V692 WeakPolarHBondContact O-CG2 3.43Å
474	L	97.9	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-25.1	177.2	-71.3	172.4	0	0	0	113.9	S472 Q476 R477 L478 L630 V692 Y695	S472-L474 PolarHBondContact O-N 3.08Å; S472-L474 VanDerWaalsContact O-N 3.1Å; S472-L474 WeakPolarHBondContact OG-CB 3.36Å; S472-L474 PolarHBondContact OG-N 3.32Å; L474-Q476 VanDerWaalsContact C-N 3.28Å; L474-Q476 PolarHBondContact O-N 3.49Å; L474-R477 HydrophobicContact CD2-CB 4.41Å; L474-R477 WeakPolarHBondContact O-CA 3.5Å; L474-R477 WeakPolarHBondContact O-CB 3.34Å; L474-R477 PolarHBondContact O-N 3.47Å; L474-L478 HydrophobicContact CB-CD1 4.24Å; L474-L478 WeakPolarHBondContact O-CB 3.49Å; L474-L478 WeakPolarHBondContact O-CG 3.36Å; L474-L478 PolarHBondContact O-N 2.84Å; L474-L630 HydrophobicContact CD1-CD2 3.71Å; L474-L630 HydrophobicContact CD1-CG 4.41Å; L474-V692 HydrophobicContact CD2-CG2 4.45Å; L474-Y695 VanDerWaalsContact CD2-CB 3.41Å; L474-Y695 HydrophobicContact CD2-CD1 3.88Å; L474-Y695 HydrophobicContact CD2-CD2 4.2Å; L474-Y695 HydrophobicContact CD2-CG 3.57Å
475	Y	98.8	Very high	98	Very high	15 Å²	15	45.1 Å²	45.1	6%	0.059	24%	0.242	C	C	.	.	H	α-helix	trans	-51.3	-52.2	175	170.5	-100.9	0	0	0	110.7	P467 V471 S472 G473 R477 L478 E479 M484 E491	P467-Y475 HydrophobicContact CB-CE1 4.19Å; P467-Y475 HydrophobicContact CB-CE2 4.19Å; P467-Y475 HydrophobicContact CG-CE1 4.02Å; P467-Y475 WeakPolarHBondContact CG-OH 3.41Å; V471-Y475 HydrophobicContact CB-CG 4.19Å; V471-Y475 HydrophobicContact CG1-CD1 4.49Å; V471-Y475 HydrophobicContact CG1-CD2 4.29Å; V471-Y475 HydrophobicContact CG1-CG 4.07Å; S472-Y475 WeakPolarHBondContact O-CB 3.24Å; S472-Y475 PolarHBondContact O-N 2.93Å; S472-Y475 VanDerWaalsContact O-N 3.15Å; G473-Y475 VanDerWaalsContact C-N 3.3Å; G473-Y475 PolarHBondContact O-N 3.31Å; Y475-R477 PolarHBondContact O-N 3.05Å; Y475-L478 PolarHBondContact O-N 2.91Å; Y475-L478 VanDerWaalsContact O-N 3.11Å; Y475-E479 WeakPolarHBondContact CE1-OE2 3.42Å; Y475-E479 HydrophobicContact CE2-CB 4.27Å; Y475-E479 HydrophobicContact CE2-CG 4.24Å; Y475-E479 VanDerWaalsContact O-CB 3.27Å; Y475-E479 WeakPolarHBondContact O-CB 3.24Å; Y475-E479 PolarHBondContact O-N 2.96Å; Y475-E479 PolarHBondContact OH-OE1 3.42Å; Y475-M484 HydrophobicContact CD2-CE 3.88Å; Y475-M484 HydrophobicContact CD2-CG 4.45Å; Y475-M484 HydrophobicContact CD2-SD 4.38Å; Y475-M484 HydrophobicContact CE2-CE 4.43Å; Y475-M484 HydrophobicContact CE2-CG 4.19Å; Y475-E491 HydrophobicContact CD2-CB 3.5Å; Y475-E491 HydrophobicContact CD2-CG 3.92Å; Y475-E491 HydrophobicContact CE2-CB 3.7Å; Y475-E491 HydrophobicContact CE2-CG 3.69Å
476	Q	98.3	Very high	98	Very high	135 Å²	135	46.3 Å²	46.3	63%	0.631	24%	0.238	S	C	*	.	H	α-helix	trans	-63.7	-28.7	178.8	-69.6	-64.5	-39.8	0	0	113.1	G473 L474	G473-Q476 PolarHBondContact O-N 3.35Å; L474-Q476 VanDerWaalsContact C-N 3.28Å; L474-Q476 PolarHBondContact O-N 3.49Å
477	R	98.3	Very high	98	Very high	101 Å²	101	46.6 Å²	46.6	38%	0.381	24%	0.242	S	C	.	.	H	α-helix	trans	-74.8	-29.9	177.3	177.6	60.1	81.3	-140.2	1.4	112.4	L474 Y475 Y695 D696	L474-R477 HydrophobicContact CD2-CB 4.41Å; L474-R477 WeakPolarHBondContact O-CA 3.5Å; L474-R477 WeakPolarHBondContact O-CB 3.34Å; L474-R477 PolarHBondContact O-N 3.47Å; Y475-R477 PolarHBondContact O-N 3.05Å; R477-Y695 HydrophobicContact CG-CD1 3.91Å; R477-Y695 HydrophobicContact CG-CE1 3.66Å; R477-D696 IonicContact CZ-OD1 2.67Å; R477-D696 IonicContact CZ-OD2 2.76Å; R477-D696 IonicContact NE-OD1 3.66Å; R477-D696 PolarHBondContact NE-OD1 2.91Å; R477-D696 IonicContact NE-OD2 2.93Å; R477-D696 PolarHBondContact NE-OD2 2.97Å; R477-D696 IonicContact NH2-OD1 3.81Å; R477-D696 IonicContact NH2-OD2 2.68Å; R477-D696 PolarHBondContact NH2-OD2 2.73Å
478	L	98.8	Very high	98	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-110.2	-27	-167.9	-60.7	179.1	0	0	0	114.3	L474 Y475 S480 K481 C482 M484 P493 F496 Y695	L474-L478 HydrophobicContact CB-CD1 4.24Å; L474-L478 WeakPolarHBondContact O-CB 3.49Å; L474-L478 WeakPolarHBondContact O-CG 3.36Å; L474-L478 PolarHBondContact O-N 2.84Å; Y475-L478 PolarHBondContact O-N 2.91Å; Y475-L478 VanDerWaalsContact O-N 3.11Å; L478-S480 VanDerWaalsContact C-N 3.26Å; L478-S480 PolarHBondContact O-N 3.07Å; L478-S480 VanDerWaalsContact O-N 3.08Å; L478-K481 WeakPolarHBondContact O-CA 3.35Å; L478-K481 WeakPolarHBondContact O-CB 3.42Å; L478-K481 PolarHBondContact O-N 2.95Å; L478-C482 PolarHBondContact O-N 3.42Å; L478-C482 PolarHBondContact O-SG 3.33Å; L478-M484 HydrophobicContact CB-CE 3.71Å; L478-P493 HydrophobicContact CD1-CG 4.07Å; L478-F496 HydrophobicContact CD2-CE1 4.21Å; L478-Y695 HydrophobicContact CD2-CE1 4.32Å; L478-Y695 HydrophobicContact CD2-CE2 4.17Å
479	E	98.4	Very high	98	Very high	80 Å²	80	43.7 Å²	43.7	37%	0.374	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-49	-41.4	-172.2	176.8	-178.1	-157.7	0	0	114	Y475 K481 M484	Y475-E479 WeakPolarHBondContact CE1-OE2 3.42Å; Y475-E479 HydrophobicContact CE2-CB 4.27Å; Y475-E479 HydrophobicContact CE2-CG 4.24Å; Y475-E479 VanDerWaalsContact O-CB 3.27Å; Y475-E479 WeakPolarHBondContact O-CB 3.24Å; Y475-E479 PolarHBondContact O-N 2.96Å; Y475-E479 PolarHBondContact OH-OE1 3.42Å; E479-K481 PolarHBondContact O-N 3Å; E479-M484 HydrophobicContact CB-CE 4.34Å
480	S	98.2	Very high	98	Very high	95 Å²	95	37 Å²	37	66%	0.664	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-77.1	-3.1	-179.8	55.5	0	0	0	0	114.8	L478	L478-S480 VanDerWaalsContact C-N 3.26Å; L478-S480 PolarHBondContact O-N 3.07Å; L478-S480 VanDerWaalsContact O-N 3.08Å
481	K	98.6	Very high	98	Very high	95 Å²	95	36.8 Å²	36.8	41%	0.413	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-119.8	-5.8	-171.1	-56.6	179.7	-176.4	175.9	0	113.4	L478 E479 F496 Y497	L478-K481 WeakPolarHBondContact O-CA 3.35Å; L478-K481 WeakPolarHBondContact O-CB 3.42Å; L478-K481 PolarHBondContact O-N 2.95Å; E479-K481 PolarHBondContact O-N 3Å; K481-F496 HydrophobicContact CB-CD1 4.41Å; K481-F496 WeakPolarHBondContact O-CD1 3.12Å; K481-Y497 PolarHBondContact O-N 2.8Å
482	C	98.9	Very high	98	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161	-177.4	61.5	0	0	0	0	112	L478 P493 W495 F496 Y497	L478-C482 PolarHBondContact O-N 3.42Å; L478-C482 PolarHBondContact O-SG 3.33Å; C482-P493 HydrophobicContact CB-CB 4.01Å; C482-W495 VanDerWaalsContact CA-O 3.29Å; C482-W495 WeakPolarHBondContact CA-O 3.31Å; C482-W495 WeakPolarHBondContact CB-O 3.38Å; C482-F496 HydrophobicContact CB-CD1 3.64Å; C482-F496 HydrophobicContact CB-CD2 4.34Å; C482-F496 HydrophobicContact CB-CE1 3.72Å; C482-F496 HydrophobicContact CB-CE2 4.4Å; C482-F496 HydrophobicContact CB-CG 3.96Å; C482-F496 HydrophobicContact CB-CZ 4.11Å; C482-Y497 VanDerWaalsContact C-OH 3.22Å; C482-Y497 PolarHBondContact O-OH 3.47Å
483	S	98.9	Very high	98.4	Very high	12 Å²	12	35.8 Å²	35.8	8%	0.084	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.1	161.4	160.7	0	0	0	0	108	E461 H494 W495 Y497	E461-S483 PolarHBondContact OE1-OG 3.12Å; S483-H494 PolarHBondContact O-N 2.81Å; S483-W495 VanDerWaalsContact CB-NE1 3.27Å; S483-W495 PolarHBondContact N-O 2.79Å; S483-Y497 PolarHBondContact N-OH 3.08Å
484	M	98.9	Very high	98.7	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.084	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126	175.1	-71.5	-69.6	-171.2	0	0	109.8	R466 Y475 L478 E479 E491 P493	R466-M484 PolarHBondContact NH2-O 3.37Å; Y475-M484 HydrophobicContact CD2-CE 3.88Å; Y475-M484 HydrophobicContact CD2-CG 4.45Å; Y475-M484 HydrophobicContact CD2-SD 4.38Å; Y475-M484 HydrophobicContact CE2-CE 4.43Å; Y475-M484 HydrophobicContact CE2-CG 4.19Å; L478-M484 HydrophobicContact CB-CE 3.71Å; E479-M484 HydrophobicContact CB-CE 4.34Å; M484-E491 HydrophobicContact CB-CB 4.45Å; M484-E491 WeakPolarHBondContact CB-OE2 3.29Å; M484-E491 HydrophobicContact SD-CB 4.3Å; M484-P493 HydrophobicContact CE-CG 4.19Å; M484-P493 HydrophobicContact SD-CG 3.92Å
485	G	98.8	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	148.9	168.9	0	0	0	0	0	112.5	E491 Q492 H494	G485-E491 WeakPolarHBondContact O-CA 3.31Å; G485-Q492 WeakPolarHBondContact CA-O 3.33Å; G485-Q492 PolarHBondContact N-O 3.47Å; G485-Q492 PolarHBondContact O-N 3.35Å; G485-H494 VanDerWaalsContact CA-CE1 3.41Å; G485-H494 WeakPolarHBondContact CA-CE1 3.4Å; G485-H494 VanDerWaalsContact CA-NE2 3.29Å; G485-H494 WeakPolarHBondContact CA-NE2 3.33Å
486	F	98.9	Very high	98.7	Very high	56 Å²	56	34.8 Å²	34.8	25%	0.246	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120	175.8	179.8	-92.8	0	0	0	110.9	W435 Y440 R466 T468 W490	W435-F486 HydrophobicContact CE3-CZ 4.39Å; W435-F486 HydrophobicContact CH2-CE1 4.31Å; W435-F486 AromaticContact CH2-CZ 3.73Å; W435-F486 HydrophobicContact CH2-CZ 3.73Å; W435-F486 HydrophobicContact CZ3-CE2 4.37Å; W435-F486 AromaticContact CZ3-CZ 3.6Å; W435-F486 HydrophobicContact CZ3-CZ 3.6Å; Y440-F486 HydrophobicContact CE2-CE2 4.11Å; Y440-F486 HydrophobicContact CE2-CZ 4.16Å; Y440-F486 AromaticContact CZ-CZ 3.84Å; Y440-F486 WeakPolarHBondContact OH-CZ 3.45Å; R466-F486 HydrophobicContact CG-CD2 3.85Å; R466-F486 HydrophobicContact CG-CE2 4.37Å; T468-F486 HydrophobicContact CG2-CE2 3.88Å; F486-W490 WeakPolarHBondContact CA-O 3.48Å
487	H	98.8	Very high	98.8	Very high	53 Å²	53	31.9 Å²	31.9	25%	0.245	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	109.2	177.7	-53.8	-63.2	0	0	0	111.3	G489 W490 Q492 H494	H487-G489 PolarHBondContact O-N 3.38Å; H487-G489 VanDerWaalsContact O-N 3.17Å; H487-W490 PolarHBondContact N-O 2.99Å; H487-W490 VanDerWaalsContact O-CB 3.3Å; H487-W490 WeakPolarHBondContact O-CB 3.27Å; H487-W490 PolarHBondContact O-N 2.95Å; H487-Q492 PolarHBondContact CD2-OE1 3.18Å; H487-H494 AromaticContact CE1-NE2 3.47Å; H487-H494 PolarHBondContact CE1-NE2 2.87Å; H487-H494 AromaticContact NE2-CD2 3.68Å; H487-H494 AromaticContact NE2-NE2 3.38Å; H487-H494 PolarHBondContact NE2-NE2 2.98Å
488	A	98.6	Very high	98.7	Very high	19 Å²	19	29.1 Å²	29.1	16%	0.157	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	43	177	0	0	0	0	0	113.8	W435 R470 W490	W435-A488 VanDerWaalsContact CE2-C 3.46Å; W435-A488 PolarHBondContact NE1-O 2.86Å; R470-A488 PolarHBondContact NH1-O 2.81Å; A488-W490 VanDerWaalsContact C-N 3.33Å; A488-W490 PolarHBondContact O-N 3.44Å
489	G	98.8	Very high	98.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-20.3	-178.3	0	0	0	0	0	114.8	T468 H487	T468-G489 PolarHBondContact OG1-O 3.28Å; H487-G489 PolarHBondContact O-N 3.38Å; H487-G489 VanDerWaalsContact O-N 3.17Å
490	W	98.9	Very high	98.5	Very high	4 Å²	4	38 Å²	38	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	151.5	178.8	-63	96.2	0	0	0	112.5	R470 F486 H487 A488 P536 T624 D625	R470-W490 HydrophobicContact CG-CD2 3.77Å; R470-W490 HydrophobicContact CG-CE3 4.14Å; R470-W490 HydrophobicContact CG-CG 4.29Å; R470-W490 HydrophobicContact CG-CH2 4.09Å; R470-W490 HydrophobicContact CG-CZ2 3.73Å; R470-W490 HydrophobicContact CG-CZ3 4.29Å; R470-W490 VanDerWaalsContact CZ-NE1 3.33Å; R470-W490 VanDerWaalsContact NE-NE1 3.2Å; R470-W490 WeakPolarHBondContact O-CA 3.48Å; F486-W490 WeakPolarHBondContact CA-O 3.48Å; H487-W490 PolarHBondContact N-O 2.99Å; H487-W490 VanDerWaalsContact O-CB 3.3Å; H487-W490 WeakPolarHBondContact O-CB 3.27Å; H487-W490 PolarHBondContact O-N 2.95Å; A488-W490 VanDerWaalsContact C-N 3.33Å; A488-W490 PolarHBondContact O-N 3.44Å; W490-P536 HydrophobicContact CB-CB 4Å; W490-P536 HydrophobicContact CB-CG 3.8Å; W490-P536 HydrophobicContact CD2-CB 4.32Å; W490-P536 HydrophobicContact CD2-CG 4.31Å; W490-P536 HydrophobicContact CG-CB 3.77Å; W490-P536 HydrophobicContact CG-CG 3.93Å; W490-T624 HydrophobicContact CZ2-CG2 4.31Å; W490-D625 WeakPolarHBondContact CZ2-OD1 3.46Å
491	E	98.9	Very high	98.4	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.5	165.1	-62.3	-65.9	149.6	0	0	108.2	R466 P467 V471 Y475 M484 G485	R466-E491 WeakPolarHBondContact CB-OE1 3.38Å; R466-E491 WeakPolarHBondContact CG-OE1 3.26Å; R466-E491 IonicContact CZ-OE1 2.8Å; R466-E491 IonicContact CZ-OE2 2.76Å; R466-E491 IonicContact NE-OE1 3.9Å; R466-E491 PolarHBondContact NE-OE1 3.29Å; R466-E491 IonicContact NE-OE2 3.36Å; R466-E491 PolarHBondContact NE-OE2 3.12Å; R466-E491 IonicContact NH2-OE1 3.1Å; R466-E491 IonicContact NH2-OE2 2.69Å; R466-E491 PolarHBondContact NH2-OE2 2.87Å; P467-E491 HydrophobicContact CB-CG 3.87Å; V471-E491 HydrophobicContact CG1-CB 4.2Å; V471-E491 HydrophobicContact CG1-CG 3.94Å; Y475-E491 HydrophobicContact CD2-CB 3.5Å; Y475-E491 HydrophobicContact CD2-CG 3.92Å; Y475-E491 HydrophobicContact CE2-CB 3.7Å; Y475-E491 HydrophobicContact CE2-CG 3.69Å; M484-E491 HydrophobicContact CB-CB 4.45Å; M484-E491 WeakPolarHBondContact CB-OE2 3.29Å; M484-E491 HydrophobicContact SD-CB 4.3Å; G485-E491 WeakPolarHBondContact O-CA 3.31Å
492	Q	98.9	Very high	98.4	Very high	19 Å²	19	36.3 Å²	36.3	9%	0.089	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.6	-177.6	-165.9	179.7	14.6	0	0	110.5	G485 H487 H494 D533 P536 T712	G485-Q492 WeakPolarHBondContact CA-O 3.33Å; G485-Q492 PolarHBondContact N-O 3.47Å; G485-Q492 PolarHBondContact O-N 3.35Å; H487-Q492 PolarHBondContact CD2-OE1 3.18Å; Q492-H494 PolarHBondContact O-N 2.52Å; Q492-D533 PolarHBondContact NE2-O 2.87Å; Q492-P536 HydrophobicContact CB-CG 3.99Å; Q492-P536 HydrophobicContact CG-CG 3.96Å; Q492-T712 HydrophobicContact CG-CG2 4.04Å
493	P	98.9	Very high	98.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	121.1	179.7	-25.9	34.9	0	0	0	113.5	L478 C482 M484 F496 G711 T712	L478-P493 HydrophobicContact CD1-CG 4.07Å; C482-P493 HydrophobicContact CB-CB 4.01Å; M484-P493 HydrophobicContact CE-CG 4.19Å; M484-P493 HydrophobicContact SD-CG 3.92Å; P493-F496 HydrophobicContact CB-CD2 4.43Å; P493-F496 HydrophobicContact CB-CE2 3.51Å; P493-F496 HydrophobicContact CB-CZ 3.55Å; P493-F496 HydrophobicContact CG-CE2 4.19Å; P493-F496 HydrophobicContact CG-CZ 3.75Å; P493-G711 VanDerWaalsContact O-CA 3.23Å; P493-G711 WeakPolarHBondContact O-CA 3.45Å; P493-T712 PolarHBondContact O-N 3.08Å
494	H	98.9	Very high	98.4	Very high	15 Å²	15	44 Å²	44	7%	0.069	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-51.7	169.7	-78.9	173.3	0	0	0	111.2	E461 S483 G485 H487 Q492 G711 T712 Y713	E461-H494 IonicContact OE1-CE1 3.27Å; E461-H494 IonicContact OE1-ND1 3.5Å; E461-H494 PolarHBondContact OE1-ND1 3.01Å; S483-H494 PolarHBondContact O-N 2.81Å; G485-H494 VanDerWaalsContact CA-CE1 3.41Å; G485-H494 WeakPolarHBondContact CA-CE1 3.4Å; G485-H494 VanDerWaalsContact CA-NE2 3.29Å; G485-H494 WeakPolarHBondContact CA-NE2 3.33Å; H487-H494 AromaticContact CE1-NE2 3.47Å; H487-H494 PolarHBondContact CE1-NE2 2.87Å; H487-H494 AromaticContact NE2-CD2 3.68Å; H487-H494 AromaticContact NE2-NE2 3.38Å; H487-H494 PolarHBondContact NE2-NE2 2.98Å; Q492-H494 PolarHBondContact O-N 2.52Å; H494-G711 CarbonylContact O-C 3.5Å; H494-G711 WeakPolarHBondContact O-CA 3.35Å; H494-T712 PolarHBondContact CD2-OG1 3.29Å; H494-T712 PolarHBondContact O-N 3.11Å; H494-T712 VanDerWaalsContact O-N 3.15Å; H494-Y713 HydrophobicContact CB-CD1 4.15Å; H494-Y713 HydrophobicContact CB-CD2 4.34Å; H494-Y713 HydrophobicContact CB-CE1 3.9Å; H494-Y713 HydrophobicContact CB-CE2 4.09Å; H494-Y713 HydrophobicContact CB-CG 4.37Å; H494-Y713 AromaticContact CD2-CE1 3.8Å; H494-Y713 PolarHBondContact CE1-OH 3.35Å; H494-Y713 AromaticContact CG-CE1 3.65Å; H494-Y713 AromaticContact CG-CZ 3.72Å; H494-Y713 AromaticContact ND1-CE1 3.89Å; H494-Y713 AromaticContact ND1-CZ 3.6Å; H494-Y713 PolarHBondContact ND1-OH 3.43Å; H494-Y713 WeakPolarHBondContact O-CB 3.42Å; H494-Y713 PolarHBondContact O-N 3.47Å
495	W	98.9	Very high	98.4	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155.3	-179.6	63.1	-83.6	0	0	0	110.2	C482 S483 Y497 W514 P517 V518 Y713	C482-W495 VanDerWaalsContact CA-O 3.29Å; C482-W495 WeakPolarHBondContact CA-O 3.31Å; C482-W495 WeakPolarHBondContact CB-O 3.38Å; S483-W495 VanDerWaalsContact CB-NE1 3.27Å; S483-W495 PolarHBondContact N-O 2.79Å; W495-Y497 HydrophobicContact CE3-CD1 4.25Å; W495-Y497 AromaticContact CH2-CD1 3.7Å; W495-Y497 HydrophobicContact CH2-CD1 3.7Å; W495-Y497 AromaticContact CH2-CE1 3.91Å; W495-Y497 HydrophobicContact CH2-CE1 3.91Å; W495-Y497 HydrophobicContact CZ2-CD1 4.3Å; W495-Y497 HydrophobicContact CZ2-CE1 4.08Å; W495-Y497 AromaticContact CZ3-CD1 3.66Å; W495-Y497 HydrophobicContact CZ3-CD1 3.66Å; W495-Y497 HydrophobicContact CZ3-CE1 4.26Å; W495-W514 HydrophobicContact CB-CB 4.38Å; W495-W514 HydrophobicContact CD2-CB 3.52Å; W495-W514 HydrophobicContact CE3-CB 4.1Å; W495-W514 HydrophobicContact CG-CB 3.62Å; W495-W514 HydrophobicContact CZ2-CB 4.17Å; W495-P517 HydrophobicContact CE3-CB 3.7Å; W495-P517 HydrophobicContact CE3-CG 4.04Å; W495-P517 HydrophobicContact CZ3-CB 4.07Å; W495-P517 HydrophobicContact CZ3-CG 3.9Å; W495-V518 HydrophobicContact CB-CG2 3.86Å; W495-Y713 HydrophobicContact CB-CD2 4.44Å; W495-Y713 AromaticContact CD1-CD2 3.91Å; W495-Y713 AromaticContact CD1-CE2 3.91Å; W495-Y713 HydrophobicContact CG-CD2 4.48Å
496	F	98.9	Very high	98.3	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.7	-173.7	-76.4	-94.7	0	0	0	112.4	L478 K481 C482 P493 E521 N709 F710	L478-F496 HydrophobicContact CD2-CE1 4.21Å; K481-F496 HydrophobicContact CB-CD1 4.41Å; K481-F496 WeakPolarHBondContact O-CD1 3.12Å; C482-F496 HydrophobicContact CB-CD1 3.64Å; C482-F496 HydrophobicContact CB-CD2 4.34Å; C482-F496 HydrophobicContact CB-CE1 3.72Å; C482-F496 HydrophobicContact CB-CE2 4.4Å; C482-F496 HydrophobicContact CB-CG 3.96Å; C482-F496 HydrophobicContact CB-CZ 4.11Å; P493-F496 HydrophobicContact CB-CD2 4.43Å; P493-F496 HydrophobicContact CB-CE2 3.51Å; P493-F496 HydrophobicContact CB-CZ 3.55Å; P493-F496 HydrophobicContact CG-CE2 4.19Å; P493-F496 HydrophobicContact CG-CZ 3.75Å; F496-E521 PolarHBondContact N-OE1 2.87Å; F496-N709 HydrophobicContact CD1-CB 3.56Å; F496-N709 HydrophobicContact CD2-CB 3.77Å; F496-N709 HydrophobicContact CE1-CB 3.4Å; F496-N709 VanDerWaalsContact CE1-CB 3.4Å; F496-N709 HydrophobicContact CE2-CB 3.62Å; F496-N709 HydrophobicContact CG-CB 3.75Å; F496-N709 HydrophobicContact CZ-CB 3.44Å; F496-N709 VanDerWaalsContact CZ-CB 3.44Å; F496-F710 VanDerWaalsContact CE2-C 3.46Å
497	Y	98.8	Very high	98.3	Very high	74 Å²	74	52.7 Å²	52.7	29%	0.29	27%	0.274	S	S	.	.			trans	-65.4	138.5	-178.7	-55.2	-34	0	0	0	111.3	K481 C482 S483 W495 T503	K481-Y497 PolarHBondContact O-N 2.8Å; C482-Y497 VanDerWaalsContact C-OH 3.22Å; C482-Y497 PolarHBondContact O-OH 3.47Å; S483-Y497 PolarHBondContact N-OH 3.08Å; W495-Y497 HydrophobicContact CE3-CD1 4.25Å; W495-Y497 AromaticContact CH2-CD1 3.7Å; W495-Y497 HydrophobicContact CH2-CD1 3.7Å; W495-Y497 AromaticContact CH2-CE1 3.91Å; W495-Y497 HydrophobicContact CH2-CE1 3.91Å; W495-Y497 HydrophobicContact CZ2-CD1 4.3Å; W495-Y497 HydrophobicContact CZ2-CE1 4.08Å; W495-Y497 AromaticContact CZ3-CD1 3.66Å; W495-Y497 HydrophobicContact CZ3-CD1 3.66Å; W495-Y497 HydrophobicContact CZ3-CE1 4.26Å; Y497-T503 HydrophobicContact CD1-CG2 3.58Å; Y497-T503 HydrophobicContact CD2-CG2 3.99Å; Y497-T503 HydrophobicContact CE1-CG2 4.12Å; Y497-T503 HydrophobicContact CG-CG2 3.51Å
498	K	97.8	Very high	98.3	Very high	44 Å²	44	52 Å²	52	19%	0.191	27%	0.274	C	S	.	.			trans	-110.6	139.5	173.2	-60.5	-58.5	178.8	-172.7	0	109.6	G500 Q501 P517 D708	K498-G500 PolarHBondContact O-N 3.37Å; K498-Q501 HydrophobicContact CB-CG 4.23Å; K498-Q501 PolarHBondContact O-N 2.97Å; K498-Q501 VanDerWaalsContact O-N 3.11Å; K498-P517 HydrophobicContact CG-CB 4.21Å; K498-P517 HydrophobicContact CG-CG 4.42Å; K498-D708 IonicContact NZ-OD2 4Å; K498-D708 PolarHBondContact NZ-OD2 3.45Å
499	L	95.2	Very high	98.3	Very high	186 Å²	186	51.6 Å²	51.6	97%	0.974	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	128.1	-175.8	-175.7	66.6	0	0	0	110.6
500	G	96.2	Very high	98.4	Very high	84 Å²	84	55.5 Å²	55.5	87%	0.866	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	7.9	179.7	0	0	0	0	0	115.5	K498	K498-G500 PolarHBondContact O-N 3.37Å
501	Q	98	Very high	98.4	Very high	88 Å²	88	58 Å²	58	41%	0.411	29%	0.293	S	S	.	.	S	Bend	trans	-109.7	158.3	175.4	-57.2	-170	20.5	0	0	112.1	K498 T503	K498-Q501 HydrophobicContact CB-CG 4.23Å; K498-Q501 PolarHBondContact O-N 2.97Å; K498-Q501 VanDerWaalsContact O-N 3.11Å; Q501-T503 PolarHBondContact O-N 3.5Å
502	D	97.9	Very high	98.4	Very high	66 Å²	66	59 Å²	59	35%	0.353	30%	0.3	S	S	.	.			trans	-69	124.2	-177.6	-174.8	8	0	0	0	111.8	Q504 R506 N513	D502-Q504 WeakPolarHBondContact OD1-CB 3.47Å; D502-Q504 VanDerWaalsContact OD1-CG 3.28Å; D502-Q504 WeakPolarHBondContact OD1-CG 3.36Å; D502-Q504 PolarHBondContact OD1-N 3.39Å; D502-R506 IonicContact OD2-CZ 3.18Å; D502-R506 IonicContact OD2-NE 2.73Å; D502-R506 PolarHBondContact OD2-NE 3.25Å; D502-R506 VanDerWaalsContact OD2-NE 3.12Å; D502-R506 IonicContact OD2-NH2 3.25Å; D502-N513 HydrophobicContact CB-CB 4.29Å; D502-N513 PolarHBondContact O-ND2 3.45Å
503	T	98.5	Very high	98.3	Very high	56 Å²	56	59.7 Å²	59.7	34%	0.344	31%	0.305	S	S	.	.			trans	-101.7	-0.6	-179.3	63	0	0	0	0	114	Y497 Q501	Y497-T503 HydrophobicContact CD1-CG2 3.58Å; Y497-T503 HydrophobicContact CD2-CG2 3.99Å; Y497-T503 HydrophobicContact CE1-CG2 4.12Å; Y497-T503 HydrophobicContact CG-CG2 3.51Å; Q501-T503 PolarHBondContact O-N 3.5Å
504	Q	98.6	Very high	98.3	Very high	118 Å²	118	62.5 Å²	62.5	55%	0.551	32%	0.315	S	S	*	.	S	Bend	trans	-71.9	158.8	-176.5	-62.1	-61.1	-44.3	0	0	112.5	D502 R506 N513	D502-Q504 WeakPolarHBondContact OD1-CB 3.47Å; D502-Q504 VanDerWaalsContact OD1-CG 3.28Å; D502-Q504 WeakPolarHBondContact OD1-CG 3.36Å; D502-Q504 PolarHBondContact OD1-N 3.39Å; Q504-R506 HydrophobicContact CB-CG 4.38Å; Q504-R506 PolarHBondContact O-N 2.92Å; Q504-N513 PolarHBondContact O-ND2 3.3Å
505	Y	98.6	Very high	98.3	Very high	83 Å²	83	63 Å²	63	33%	0.325	32%	0.317	S	S	.	.			trans	-68.7	112.4	166.8	173.2	-125.9	0	0	0	109.8	E461 F463 P507	E461-Y505 HydrophobicContact CB-CD2 4.06Å; E461-Y505 HydrophobicContact CB-CE2 3.65Å; E461-Y505 HydrophobicContact CG-CD2 4.36Å; E461-Y505 HydrophobicContact CG-CE2 4.02Å; E461-Y505 PolarHBondContact N-OH 2.61Å; E461-Y505 VanDerWaalsContact N-OH 3.09Å; E461-Y505 PolarHBondContact O-OH 3.3Å; F463-Y505 AromaticContact CE2-CD1 3.82Å; F463-Y505 HydrophobicContact CE2-CD1 3.82Å; F463-Y505 HydrophobicContact CE2-CE1 4.21Å; F463-Y505 HydrophobicContact CE2-CG 4.24Å; F463-Y505 AromaticContact CZ-CD1 3.93Å; F463-Y505 HydrophobicContact CZ-CD1 3.93Å; F463-Y505 HydrophobicContact CZ-CD2 4.39Å; F463-Y505 HydrophobicContact CZ-CE1 4.47Å; F463-Y505 AromaticContact CZ-CG 3.87Å; F463-Y505 HydrophobicContact CZ-CG 3.87Å; Y505-P507 HydrophobicContact CD1-CG 4.34Å; Y505-P507 HydrophobicContact CE1-CB 4.38Å; Y505-P507 HydrophobicContact CE1-CG 3.69Å; Y505-P507 HydrophobicContact CE2-CB 3.78Å; Y505-P507 HydrophobicContact CE2-CG 3.91Å; Y505-P507 VanDerWaalsContact CZ-CG 3.45Å; Y505-P507 WeakPolarHBondContact OH-CB 3.2Å
506	R	98.5	Very high	98.3	Very high	136 Å²	136	67.5 Å²	67.5	51%	0.513	34%	0.338	S	S	.	.			trans	-127.4	71	-177.5	-63.4	-64.6	-168.9	-176.4	-3	110.5	D502 Q504 T512	D502-R506 IonicContact OD2-CZ 3.18Å; D502-R506 IonicContact OD2-NE 2.73Å; D502-R506 PolarHBondContact OD2-NE 3.25Å; D502-R506 VanDerWaalsContact OD2-NE 3.12Å; D502-R506 IonicContact OD2-NH2 3.25Å; Q504-R506 HydrophobicContact CB-CG 4.38Å; Q504-R506 PolarHBondContact O-N 2.92Å; R506-T512 WeakPolarHBondContact CB-OG1 3.38Å; R506-T512 WeakPolarHBondContact O-CB 3.36Å; R506-T512 WeakPolarHBondContact O-CG2 3.37Å; R506-T512 PolarHBondContact O-OG1 2.88Å
507	P	98.6	Very high	98.3	Very high	38 Å²	38	67.1 Å²	67.1	25%	0.247	34%	0.337	C	S	.	.			trans	-64.8	145.5	177.7	31.9	-36.5	0	0	0	110.1	Y457 Y505	Y457-P507 HydrophobicContact CD1-CB 4.42Å; Y457-P507 HydrophobicContact CD2-CB 3.68Å; Y457-P507 HydrophobicContact CD2-CG 3.81Å; Y457-P507 HydrophobicContact CE2-CB 4.29Å; Y457-P507 HydrophobicContact CE2-CG 3.99Å; Y457-P507 HydrophobicContact CG-CB 3.73Å; Y457-P507 HydrophobicContact CG-CG 4.33Å; Y505-P507 HydrophobicContact CD1-CG 4.34Å; Y505-P507 HydrophobicContact CE1-CB 4.38Å; Y505-P507 HydrophobicContact CE1-CG 3.69Å; Y505-P507 HydrophobicContact CE2-CB 3.78Å; Y505-P507 HydrophobicContact CE2-CG 3.91Å; Y505-P507 VanDerWaalsContact CZ-CG 3.45Å; Y505-P507 WeakPolarHBondContact OH-CB 3.2Å
508	S	98.8	Very high	98.3	Very high	37 Å²	37	63.8 Å²	63.8	26%	0.259	32%	0.324	S	S	.	.			trans	-158.3	150.5	-176.9	-179.8	0	0	0	0	109.8	P458 R510	P458-S508 WeakPolarHBondContact CG-O 3.17Å; S508-R510 WeakPolarHBondContact CB-O 3.47Å; S508-R510 PolarHBondContact O-N 3.4Å; S508-R510 PolarHBondContact OG-N 2.93Å; S508-R510 PolarHBondContact OG-O 3.23Å
509	F	98.9	Very high	98.4	Very high	12 Å²	12	61.7 Å²	61.7	5%	0.053	32%	0.315	C	S	.	.	S	Bend	trans	-72.3	-8.9	168.1	-66.9	-68.7	0	0	0	113.1	V142 D145 E146 Y149 V455 G456 Y457 P458 V782 L834	V142-F509 HydrophobicContact CG2-CD2 4.34Å; V142-F509 HydrophobicContact CG2-CE2 3.93Å; V142-F509 WeakPolarHBondContact O-CE2 3.36Å; D145-F509 HydrophobicContact CB-CD2 3.58Å; D145-F509 HydrophobicContact CB-CE2 4.03Å; D145-F509 HydrophobicContact CB-CG 4.18Å; E146-F509 HydrophobicContact CB-CE1 4.3Å; E146-F509 HydrophobicContact CB-CE2 4.09Å; E146-F509 HydrophobicContact CB-CZ 3.52Å; E146-F509 HydrophobicContact CG-CZ 3.99Å; Y149-F509 HydrophobicContact CD1-CD1 4.43Å; Y149-F509 AromaticContact CD1-CE1 3.96Å; Y149-F509 HydrophobicContact CD1-CE1 3.96Å; Y149-F509 HydrophobicContact CD2-CD1 4.3Å; Y149-F509 AromaticContact CG-CD1 3.94Å; Y149-F509 HydrophobicContact CG-CD1 3.94Å; Y149-F509 AromaticContact CG-CE1 3.9Å; Y149-F509 HydrophobicContact CG-CE1 3.9Å; V455-F509 HydrophobicContact CG1-CE2 3.66Å; V455-F509 HydrophobicContact CG1-CZ 3.52Å; G456-F509 WeakPolarHBondContact O-CE1 3.36Å; Y457-F509 HydrophobicContact CD1-CD1 4.4Å; Y457-F509 AromaticContact CD1-CD2 3.81Å; Y457-F509 HydrophobicContact CD1-CD2 3.81Å; Y457-F509 HydrophobicContact CD1-CE1 4.21Å; Y457-F509 AromaticContact CD1-CE2 3.6Å; Y457-F509 HydrophobicContact CD1-CE2 3.6Å; Y457-F509 HydrophobicContact CD1-CG 4.2Å; Y457-F509 AromaticContact CD1-CZ 3.79Å; Y457-F509 HydrophobicContact CD1-CZ 3.79Å; Y457-F509 AromaticContact CE1-CD2 3.74Å; Y457-F509 HydrophobicContact CE1-CD2 3.74Å; Y457-F509 AromaticContact CE1-CE2 3.5Å; Y457-F509 HydrophobicContact CE1-CE2 3.5Å; Y457-F509 HydrophobicContact CE1-CZ 4.11Å; Y457-F509 HydrophobicContact CG-CZ 4.47Å; P458-F509 HydrophobicContact CG-CD1 4.41Å; F509-V782 WeakPolarHBondContact O-CG2 3.47Å; F509-L834 HydrophobicContact CB-CD1 3.78Å; F509-L834 HydrophobicContact CB-CD2 3.88Å; F509-L834 HydrophobicContact CB-CG 4.47Å; F509-L834 HydrophobicContact CD1-CD2 4.35Å; F509-L834 HydrophobicContact CG-CD2 4.33Å
510	R	98.9	Very high	98.6	Very high	81 Å²	81	55 Å²	55	31%	0.306	28%	0.284	S	S	.	.	S	Bend	trans	-123.9	179.8	-176.5	-66.9	177.7	178.4	79.7	5.7	110.5	D145 S508 T512 D781 V782 L834	D145-R510 IonicContact OD1-NH2 2.81Å; D145-R510 IonicContact OD2-CZ 2.88Å; D145-R510 IonicContact OD2-NH1 2.95Å; D145-R510 PolarHBondContact OD2-NH1 3.46Å; D145-R510 IonicContact OD2-NH2 2.78Å; S508-R510 WeakPolarHBondContact CB-O 3.47Å; S508-R510 PolarHBondContact O-N 3.4Å; S508-R510 PolarHBondContact OG-N 2.93Å; S508-R510 PolarHBondContact OG-O 3.23Å; R510-T512 PolarHBondContact O-N 2.63Å; R510-D781 WeakPolarHBondContact CB-O 3.26Å; R510-D781 VanDerWaalsContact CD-OD2 3.27Å; R510-D781 WeakPolarHBondContact CD-OD2 3.3Å; R510-D781 IonicContact NE-OD1 3.03Å; R510-D781 IonicContact NE-OD2 3.75Å; R510-D781 PolarHBondContact NE-OD2 3.12Å; R510-V782 HydrophobicContact CG-CB 4.34Å; R510-L834 HydrophobicContact CG-CD1 3.84Å
511	R	98.9	Very high	98.7	Very high	57 Å²	57	51 Å²	51	22%	0.215	24%	0.243	C	C	.	.			trans	-51.5	140.1	171	-69	170.9	-179.1	148.6	6.6	110.6	F515 T779 D780 D781 D783 Y805	R511-F515 HydrophobicContact CB-CB 4.45Å; R511-F515 HydrophobicContact CB-CD2 4.15Å; R511-F515 HydrophobicContact CB-CG 4.29Å; R511-F515 VanDerWaalsContact CD-CE2 3.43Å; R511-F515 HydrophobicContact CG-CD2 3.63Å; R511-F515 HydrophobicContact CG-CE2 3.78Å; R511-F515 HydrophobicContact CG-CG 4.21Å; R511-F515 HydrophobicContact CG-CZ 4.47Å; R511-T779 PolarHBondContact NH2-OG1 3.49Å; R511-D780 PolarHBondContact NH1-O 3.17Å; R511-D781 WeakPolarHBondContact CB-O 3.5Å; R511-D781 VanDerWaalsContact CG-O 3.25Å; R511-D781 WeakPolarHBondContact CG-O 3.33Å; R511-D781 PolarHBondContact N-O 2.91Å; R511-D783 WeakPolarHBondContact CG-OD2 3.29Å; R511-D783 IonicContact CZ-OD1 3.55Å; R511-D783 IonicContact CZ-OD2 3.43Å; R511-D783 IonicContact NE-OD1 2.74Å; R511-D783 IonicContact NE-OD2 3.77Å; R511-D783 PolarHBondContact NE-OD2 3.44Å; R511-D783 IonicContact NH2-OD1 3.4Å; R511-D783 PolarHBondContact NH2-OD1 2.98Å; R511-D783 IonicContact NH2-OD2 2.86Å; R511-D783 PolarHBondContact NH2-OD2 2.89Å; R511-Y805 VanDerWaalsContact NH2-CD2 3.3Å
512	T	98.9	Very high	98.7	Very high	30 Å²	30	47.5 Å²	47.5	18%	0.184	23%	0.226	C	C	.	.			trans	-139.7	-171.7	-176.6	-168.5	0	0	0	0	111.2	R506 R510 W514 F515	R506-T512 WeakPolarHBondContact CB-OG1 3.38Å; R506-T512 WeakPolarHBondContact O-CB 3.36Å; R506-T512 WeakPolarHBondContact O-CG2 3.37Å; R506-T512 PolarHBondContact O-OG1 2.88Å; R510-T512 PolarHBondContact O-N 2.63Å; T512-W514 VanDerWaalsContact CG2-CD1 3.42Å; T512-W514 HydrophobicContact CG2-CD2 4.36Å; T512-W514 HydrophobicContact CG2-CG 4.21Å; T512-W514 HydrophobicContact CG2-CZ2 4.29Å; T512-W514 PolarHBondContact O-N 2.82Å; T512-F515 VanDerWaalsContact O-CB 3.25Å; T512-F515 WeakPolarHBondContact O-CB 3.47Å; T512-F515 PolarHBondContact O-N 2.99Å
513	N	98.8	Very high	98.8	Very high	33 Å²	33	49 Å²	49	18%	0.176	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.8	-166.6	65.5	-32.4	0	0	0	116.1	D502 Q504 F515 P517	D502-N513 HydrophobicContact CB-CB 4.29Å; D502-N513 PolarHBondContact O-ND2 3.45Å; Q504-N513 PolarHBondContact O-ND2 3.3Å; N513-F515 VanDerWaalsContact C-N 3.34Å; N513-P517 WeakPolarHBondContact O-CD 3.39Å
514	W	98.8	Very high	98.8	Very high	60 Å²	60	47.4 Å²	47.4	23%	0.227	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.9	177	55.4	-106.2	0	0	0	114.7	W495 T512 E516 P517 V518 Y713	W495-W514 HydrophobicContact CB-CB 4.38Å; W495-W514 HydrophobicContact CD2-CB 3.52Å; W495-W514 HydrophobicContact CE3-CB 4.1Å; W495-W514 HydrophobicContact CG-CB 3.62Å; W495-W514 HydrophobicContact CZ2-CB 4.17Å; T512-W514 VanDerWaalsContact CG2-CD1 3.42Å; T512-W514 HydrophobicContact CG2-CD2 4.36Å; T512-W514 HydrophobicContact CG2-CG 4.21Å; T512-W514 HydrophobicContact CG2-CZ2 4.29Å; T512-W514 PolarHBondContact O-N 2.82Å; W514-E516 PolarHBondContact O-N 3.29Å; W514-P517 WeakPolarHBondContact O-CD 3.35Å; W514-V518 HydrophobicContact CB-CG2 4.39Å; W514-V518 HydrophobicContact CE3-CB 4.34Å; W514-V518 HydrophobicContact CE3-CG2 3.84Å; W514-V518 WeakPolarHBondContact O-CB 3.35Å; W514-V518 WeakPolarHBondContact O-CG2 3.31Å; W514-V518 PolarHBondContact O-N 3.31Å; W514-Y713 AromaticContact CD1-CE2 3.99Å; W514-Y713 AromaticContact CD2-CD2 3.82Å; W514-Y713 HydrophobicContact CD2-CD2 3.82Å; W514-Y713 AromaticContact CD2-CE2 4Å; W514-Y713 HydrophobicContact CD2-CE2 4Å; W514-Y713 AromaticContact CE2-CE2 3.95Å; W514-Y713 HydrophobicContact CE3-CD2 4.04Å; W514-Y713 HydrophobicContact CG-CD2 4.06Å; W514-Y713 HydrophobicContact CG-CE2 4.06Å; W514-Y713 AromaticContact NE1-CE2 3.89Å
515	F	98.9	Very high	98.8	Very high	25 Å²	25	41.8 Å²	41.8	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-49.7	-172.6	-176.7	-101.3	0	0	0	113.6	R511 T512 N513 G519 Y805 Y807	R511-F515 HydrophobicContact CB-CB 4.45Å; R511-F515 HydrophobicContact CB-CD2 4.15Å; R511-F515 HydrophobicContact CB-CG 4.29Å; R511-F515 VanDerWaalsContact CD-CE2 3.43Å; R511-F515 HydrophobicContact CG-CD2 3.63Å; R511-F515 HydrophobicContact CG-CE2 3.78Å; R511-F515 HydrophobicContact CG-CG 4.21Å; R511-F515 HydrophobicContact CG-CZ 4.47Å; T512-F515 VanDerWaalsContact O-CB 3.25Å; T512-F515 WeakPolarHBondContact O-CB 3.47Å; T512-F515 PolarHBondContact O-N 2.99Å; N513-F515 VanDerWaalsContact C-N 3.34Å; F515-G519 PolarHBondContact O-N 2.96Å; F515-Y805 AromaticContact CE2-CD1 3.9Å; F515-Y805 HydrophobicContact CE2-CD1 3.9Å; F515-Y805 HydrophobicContact CE2-CD2 4.32Å; F515-Y805 AromaticContact CE2-CG 3.75Å; F515-Y805 HydrophobicContact CE2-CG 3.75Å; F515-Y805 AromaticContact CZ-CD1 3.56Å; F515-Y805 HydrophobicContact CZ-CD1 3.56Å; F515-Y805 HydrophobicContact CZ-CD2 4.15Å; F515-Y805 AromaticContact CZ-CE1 3.75Å; F515-Y805 HydrophobicContact CZ-CE1 3.75Å; F515-Y805 HydrophobicContact CZ-CE2 4.33Å; F515-Y805 AromaticContact CZ-CG 3.74Å; F515-Y805 HydrophobicContact CZ-CG 3.74Å; F515-Y807 HydrophobicContact CZ-CE1 4.35Å; F515-Y807 WeakPolarHBondContact O-CE1 3.31Å; F515-Y807 PolarHBondContact O-OH 3.39Å
516	E	98.8	Very high	98.8	Very high	102 Å²	102	40 Å²	40	48%	0.477	19%	0.187	S	C	.	.	H	α-helix	trans	-76.4	-39.5	177.7	-71.9	-59.8	143.8	0	0	113.9	W514 V518 G519 S520	W514-E516 PolarHBondContact O-N 3.29Å; E516-V518 VanDerWaalsContact C-N 3.31Å; E516-V518 PolarHBondContact O-N 3.18Å; E516-G519 PolarHBondContact O-N 3.18Å; E516-G519 VanDerWaalsContact O-N 3.12Å; E516-S520 PolarHBondContact O-N 3.41Å; E516-S520 PolarHBondContact O-OG 2.93Å
517	P	98.9	Very high	98.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-51.6	-47.4	168.8	-31.7	35.9	0	0	0	113.2	W495 K498 N513 W514 G519 S520 E521	W495-P517 HydrophobicContact CE3-CB 3.7Å; W495-P517 HydrophobicContact CE3-CG 4.04Å; W495-P517 HydrophobicContact CZ3-CB 4.07Å; W495-P517 HydrophobicContact CZ3-CG 3.9Å; K498-P517 HydrophobicContact CG-CB 4.21Å; K498-P517 HydrophobicContact CG-CG 4.42Å; N513-P517 WeakPolarHBondContact O-CD 3.39Å; W514-P517 WeakPolarHBondContact O-CD 3.35Å; P517-G519 VanDerWaalsContact C-N 3.32Å; P517-G519 PolarHBondContact O-N 3.29Å; P517-S520 WeakPolarHBondContact O-CA 3.43Å; P517-S520 WeakPolarHBondContact O-CB 3.34Å; P517-S520 PolarHBondContact O-N 3.3Å; P517-E521 WeakPolarHBondContact O-CG 3.23Å; P517-E521 PolarHBondContact O-N 3.26Å
518	V	98.9	Very high	98.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-37.6	176.8	171.8	0	0	0	0	111.5	W495 W514 E516 S520 E521 Y522 Y713 A714 Y807	W495-V518 HydrophobicContact CB-CG2 3.86Å; W514-V518 HydrophobicContact CB-CG2 4.39Å; W514-V518 HydrophobicContact CE3-CB 4.34Å; W514-V518 HydrophobicContact CE3-CG2 3.84Å; W514-V518 WeakPolarHBondContact O-CB 3.35Å; W514-V518 WeakPolarHBondContact O-CG2 3.31Å; W514-V518 PolarHBondContact O-N 3.31Å; E516-V518 VanDerWaalsContact C-N 3.31Å; E516-V518 PolarHBondContact O-N 3.18Å; V518-S520 VanDerWaalsContact C-N 3.29Å; V518-S520 PolarHBondContact O-N 3.09Å; V518-E521 PolarHBondContact O-N 3.23Å; V518-Y522 WeakPolarHBondContact O-CB 3.46Å; V518-Y522 PolarHBondContact O-N 3.24Å; V518-Y713 HydrophobicContact CG2-CD2 4.26Å; V518-Y713 HydrophobicContact CG2-CG 4.46Å; V518-A714 HydrophobicContact CG1-CB 4.21Å; V518-Y807 WeakPolarHBondContact CB-OH 3.46Å; V518-Y807 HydrophobicContact CG1-CE2 3.93Å; V518-Y807 WeakPolarHBondContact CG1-OH 3.37Å
519	G	98.9	Very high	98.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-34.1	172.8	0	0	0	0	0	113.6	F515 E516 P517 K523 Y807	F515-G519 PolarHBondContact O-N 2.96Å; E516-G519 PolarHBondContact O-N 3.18Å; E516-G519 VanDerWaalsContact O-N 3.12Å; P517-G519 VanDerWaalsContact C-N 3.32Å; P517-G519 PolarHBondContact O-N 3.29Å; G519-K523 WeakPolarHBondContact O-CG 3.23Å; G519-K523 PolarHBondContact O-N 2.92Å; G519-K523 VanDerWaalsContact O-N 3.11Å; G519-Y807 VanDerWaalsContact CA-CZ 3.44Å; G519-Y807 PolarHBondContact N-OH 2.88Å
520	S	98.9	Very high	98.8	Very high	46 Å²	46	38.8 Å²	38.8	32%	0.322	18%	0.176	S	C	.	.	H	α-helix	trans	-70.2	-43.6	175.3	-56.5	0	0	0	0	111.4	E516 P517 V518 K523 Q524	E516-S520 PolarHBondContact O-N 3.41Å; E516-S520 PolarHBondContact O-OG 2.93Å; P517-S520 WeakPolarHBondContact O-CA 3.43Å; P517-S520 WeakPolarHBondContact O-CB 3.34Å; P517-S520 PolarHBondContact O-N 3.3Å; V518-S520 VanDerWaalsContact C-N 3.29Å; V518-S520 PolarHBondContact O-N 3.09Å; S520-K523 PolarHBondContact O-N 3.11Å; S520-Q524 PolarHBondContact O-N 3.29Å
521	E	98.9	Very high	98.9	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-42	174.1	-72.2	174	-138.7	0	0	112.5	F496 P517 V518 K523 Q524 V525 F710 G711 A714	F496-E521 PolarHBondContact N-OE1 2.87Å; P517-E521 WeakPolarHBondContact O-CG 3.23Å; P517-E521 PolarHBondContact O-N 3.26Å; V518-E521 PolarHBondContact O-N 3.23Å; E521-K523 VanDerWaalsContact C-N 3.33Å; E521-K523 PolarHBondContact O-N 3.44Å; E521-Q524 WeakPolarHBondContact O-CB 3.37Å; E521-Q524 PolarHBondContact O-N 2.69Å; E521-V525 PolarHBondContact O-N 2.99Å; E521-V525 VanDerWaalsContact O-N 3.09Å; E521-F710 HydrophobicContact CB-CB 3.92Å; E521-F710 HydrophobicContact CG-CB 4.15Å; E521-F710 VanDerWaalsContact OE2-CA 3.27Å; E521-F710 WeakPolarHBondContact OE2-CA 3.13Å; E521-G711 PolarHBondContact OE2-N 3.46Å; E521-A714 HydrophobicContact CB-CB 3.55Å; E521-A714 WeakPolarHBondContact OE2-CB 3.06Å
522	Y	98.9	Very high	98.9	Very high	13 Å²	13	32.4 Å²	32.4	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-55.6	-49.1	172.3	168	-86.1	0	0	0	110.8	V518 Q524 V525 M526 A717 L718 E721 Y807 S808	V518-Y522 WeakPolarHBondContact O-CB 3.46Å; V518-Y522 PolarHBondContact O-N 3.24Å; Y522-Q524 VanDerWaalsContact C-N 3.34Å; Y522-Q524 PolarHBondContact O-N 3.08Å; Y522-V525 PolarHBondContact O-N 2.85Å; Y522-M526 HydrophobicContact CD1-CG 4.38Å; Y522-M526 HydrophobicContact CD2-CG 4.44Å; Y522-M526 HydrophobicContact CE1-CG 3.89Å; Y522-M526 HydrophobicContact CE2-CG 3.95Å; Y522-M526 HydrophobicContact CE2-SD 4.49Å; Y522-M526 VanDerWaalsContact O-CG 3.29Å; Y522-M526 WeakPolarHBondContact O-CG 3.45Å; Y522-M526 PolarHBondContact O-N 2.85Å; Y522-M526 VanDerWaalsContact O-N 3.07Å; Y522-A717 HydrophobicContact CD2-CB 4.41Å; Y522-L718 HydrophobicContact CD2-CD2 3.5Å; Y522-L718 HydrophobicContact CD2-CG 3.82Å; Y522-L718 HydrophobicContact CE2-CD2 3.61Å; Y522-L718 HydrophobicContact CE2-CG 4.28Å; Y522-L718 HydrophobicContact CG-CD2 4.4Å; Y522-E721 WeakPolarHBondContact CE2-OE2 3.26Å; Y522-E721 PolarHBondContact OH-OE1 3.02Å; Y522-E721 PolarHBondContact OH-OE2 3.27Å; Y522-Y807 HydrophobicContact CD1-CD2 4.32Å; Y522-Y807 HydrophobicContact CD1-CG 4.27Å; Y522-Y807 HydrophobicContact CD2-CD2 4.35Å; Y522-Y807 AromaticContact CG-CD2 3.96Å; Y522-Y807 HydrophobicContact CG-CD2 3.96Å; Y522-Y807 HydrophobicContact CG-CG 4.35Å; Y522-S808 WeakPolarHBondContact OH-CB 3.34Å
523	K	98.9	Very high	98.9	Very high	98 Å²	98	31.5 Å²	31.5	43%	0.426	15%	0.147	S	C	.	.	H	α-helix	trans	-62.8	-40.1	177.5	-72.7	169.7	-174.2	169.7	0	111.7	G519 S520 E521 V525 M526 Q527	G519-K523 WeakPolarHBondContact O-CG 3.23Å; G519-K523 PolarHBondContact O-N 2.92Å; G519-K523 VanDerWaalsContact O-N 3.11Å; S520-K523 PolarHBondContact O-N 3.11Å; E521-K523 VanDerWaalsContact C-N 3.33Å; E521-K523 PolarHBondContact O-N 3.44Å; K523-V525 PolarHBondContact O-N 3.11Å; K523-M526 PolarHBondContact O-N 3.35Å; K523-Q527 VanDerWaalsContact O-CB 3.23Å; K523-Q527 WeakPolarHBondContact O-CB 3.37Å; K523-Q527 VanDerWaalsContact O-CG 3.26Å; K523-Q527 WeakPolarHBondContact O-CG 3.41Å; K523-Q527 PolarHBondContact O-N 2.96Å
524	Q	98.9	Very high	98.9	Very high	23 Å²	23	30.5 Å²	30.5	11%	0.107	14%	0.142	C	C	.	.	H	α-helix	trans	-54.9	-50.1	177.1	178.2	62.9	28.2	0	0	111.5	S520 E521 Y522 R528 V529 E706 D708	S520-Q524 PolarHBondContact O-N 3.29Å; E521-Q524 WeakPolarHBondContact O-CB 3.37Å; E521-Q524 PolarHBondContact O-N 2.69Å; Y522-Q524 VanDerWaalsContact C-N 3.34Å; Y522-Q524 PolarHBondContact O-N 3.08Å; Q524-R528 CarbonylContact O-C 3.5Å; Q524-R528 WeakPolarHBondContact O-CA 3.43Å; Q524-R528 WeakPolarHBondContact O-CB 3.49Å; Q524-R528 PolarHBondContact O-N 2.94Å; Q524-V529 PolarHBondContact NE2-O 3.37Å; Q524-V529 PolarHBondContact O-N 3.19Å; Q524-E706 PolarHBondContact NE2-O 3.15Å; Q524-D708 HydrophobicContact CG-CB 4.01Å
525	V	98.9	Very high	98.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-43.2	179.4	177.2	0	0	0	0	111.4	E521 Y522 K523 Q527 A633 G634 P635 T677 E679 F710 L718	E521-V525 PolarHBondContact O-N 2.99Å; E521-V525 VanDerWaalsContact O-N 3.09Å; Y522-V525 PolarHBondContact O-N 2.85Å; K523-V525 PolarHBondContact O-N 3.11Å; V525-Q527 PolarHBondContact O-N 2.83Å; V525-A633 HydrophobicContact CG1-CB 4.27Å; V525-G634 WeakPolarHBondContact O-CA 3.45Å; V525-P635 VanDerWaalsContact O-CD 3.31Å; V525-P635 WeakPolarHBondContact O-CD 3.16Å; V525-T677 HydrophobicContact CG1-CG2 4.08Å; V525-E679 HydrophobicContact CG1-CG 4.34Å; V525-F710 HydrophobicContact CG2-CB 4.24Å; V525-F710 HydrophobicContact CG2-CD1 3.7Å; V525-F710 HydrophobicContact CG2-CD2 3.93Å; V525-F710 HydrophobicContact CG2-CE1 3.92Å; V525-F710 HydrophobicContact CG2-CE2 4.13Å; V525-F710 HydrophobicContact CG2-CG 3.69Å; V525-F710 HydrophobicContact CG2-CZ 4.12Å; V525-L718 HydrophobicContact CB-CD1 3.85Å; V525-L718 HydrophobicContact CB-CD2 4.37Å; V525-L718 HydrophobicContact CG1-CD1 3.87Å; V525-L718 HydrophobicContact CG1-CD2 4.28Å; V525-L718 HydrophobicContact CG2-CD1 3.92Å
526	M	98.8	Very high	98.9	Very high	45 Å²	45	26.7 Å²	26.7	22%	0.222	13%	0.127	C	C	.	.	H	α-helix	trans	-69.8	-30.7	-177	-67.2	-61.2	-71.7	0	0	113.4	Y522 K523 E679 L718 V848	Y522-M526 HydrophobicContact CD1-CG 4.38Å; Y522-M526 HydrophobicContact CD2-CG 4.44Å; Y522-M526 HydrophobicContact CE1-CG 3.89Å; Y522-M526 HydrophobicContact CE2-CG 3.95Å; Y522-M526 HydrophobicContact CE2-SD 4.49Å; Y522-M526 VanDerWaalsContact O-CG 3.29Å; Y522-M526 WeakPolarHBondContact O-CG 3.45Å; Y522-M526 PolarHBondContact O-N 2.85Å; Y522-M526 VanDerWaalsContact O-N 3.07Å; K523-M526 PolarHBondContact O-N 3.35Å; M526-E679 HydrophobicContact SD-CG 3.7Å; M526-L718 HydrophobicContact CG-CD2 3.77Å; M526-L718 HydrophobicContact SD-CD2 3.6Å; M526-V848 HydrophobicContact CE-CG1 4.23Å
527	Q	98.6	Very high	98.9	Very high	122 Å²	122	24.2 Å²	24.2	57%	0.57	12%	0.115	S	C	*	.	H	α-helix	trans	-102.2	-29.1	-173.1	-62.5	174.5	-0.9	0	0	113.4	K523 V525 P635	K523-Q527 VanDerWaalsContact O-CB 3.23Å; K523-Q527 WeakPolarHBondContact O-CB 3.37Å; K523-Q527 VanDerWaalsContact O-CG 3.26Å; K523-Q527 WeakPolarHBondContact O-CG 3.41Å; K523-Q527 PolarHBondContact O-N 2.96Å; V525-Q527 PolarHBondContact O-N 2.83Å; Q527-P635 VanDerWaalsContact C-CG 3.49Å; Q527-P635 WeakPolarHBondContact O-CG 3.33Å
528	R	98.7	Very high	98.9	Very high	75 Å²	75	24.2 Å²	24.2	28%	0.283	12%	0.115	S	C	.	.	S	Bend	trans	-134.2	-111.1	-167.2	-61.6	172.2	-179	-84.8	10.3	111.5	Q524 G634 P635 Q636 E706	Q524-R528 CarbonylContact O-C 3.5Å; Q524-R528 WeakPolarHBondContact O-CA 3.43Å; Q524-R528 WeakPolarHBondContact O-CB 3.49Å; Q524-R528 PolarHBondContact O-N 2.94Å; R528-G634 CarbonylContact O-C 3.57Å; R528-G634 VanDerWaalsContact O-C 3.28Å; R528-G634 WeakPolarHBondContact O-CA 3.35Å; R528-P635 WeakPolarHBondContact O-CD 3.31Å; R528-P635 WeakPolarHBondContact O-CG 3.42Å; R528-P635 VanDerWaalsContact O-N 3.13Å; R528-Q636 WeakPolarHBondContact O-CB 3.34Å; R528-Q636 PolarHBondContact O-N 2.92Å; R528-E706 IonicContact CZ-OE1 2.91Å; R528-E706 IonicContact CZ-OE2 3.56Å; R528-E706 IonicContact NE-OE2 2.96Å; R528-E706 IonicContact NH1-OE1 3.32Å; R528-E706 PolarHBondContact NH1-OE1 3.44Å; R528-E706 IonicContact NH1-OE2 2.66Å; R528-E706 PolarHBondContact NH1-OE2 3.44Å; R528-E706 IonicContact NH2-OE1 3.52Å; R528-E706 PolarHBondContact NH2-OE1 2.71Å; R528-E706 IonicContact NH2-OE2 2.73Å; R528-E706 PolarHBondContact NH2-OE2 2.81Å
529	V	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.			trans	-156.1	126.2	178	51	0	0	0	0	108.9	Q524 V632 A633 Q636 A637 V640 E705 I707 D708	Q524-V529 PolarHBondContact NE2-O 3.37Å; Q524-V529 PolarHBondContact O-N 3.19Å; V529-V632 HydrophobicContact CG2-CG1 3.66Å; V529-A633 CarbonylContact C-O 3.5Å; V529-A633 WeakPolarHBondContact CA-O 3.48Å; V529-Q636 HydrophobicContact CB-CB 4.04Å; V529-Q636 HydrophobicContact CG1-CB 3.96Å; V529-A637 HydrophobicContact CG2-CB 4.25Å; V529-V640 HydrophobicContact CG1-CG2 3.97Å; V529-E705 HydrophobicContact CG1-CB 4.15Å; V529-I707 HydrophobicContact CG1-CB 3.82Å; V529-I707 HydrophobicContact CG1-CD1 4.12Å; V529-I707 HydrophobicContact CG1-CG1 3.84Å; V529-I707 HydrophobicContact CG2-CD1 3.97Å; V529-I707 HydrophobicContact CG2-CG1 4.21Å; V529-D708 PolarHBondContact O-N 3.34Å
530	G	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.4	174.3	0	0	0	0	0	111.5	V632 A633 D708 F710	G530-V632 WeakPolarHBondContact O-CA 3.27Å; G530-A633 PolarHBondContact N-O 3.18Å; G530-A633 PolarHBondContact O-N 3.44Å; G530-D708 CarbonylContact C-O 3.54Å; G530-D708 VanDerWaalsContact CA-O 3.24Å; G530-D708 WeakPolarHBondContact CA-O 3.19Å; G530-F710 VanDerWaalsContact C-CE1 3.47Å
531	V	98.9	Very high	98.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.8	168.7	-174.4	0	0	0	0	110	L630 G631 V632 Y695 I698 M699 I707 D708 N709 F710	V531-L630 HydrophobicContact CG1-CD2 4.03Å; V531-G631 WeakPolarHBondContact CA-O 3.42Å; V531-V632 HydrophobicContact CG2-CG2 4.38Å; V531-Y695 HydrophobicContact CG1-CD2 3.99Å; V531-Y695 HydrophobicContact CG1-CE2 4.18Å; V531-I698 HydrophobicContact CG2-CG2 3.94Å; V531-M699 HydrophobicContact CB-SD 4.14Å; V531-M699 HydrophobicContact CG2-SD 3.76Å; V531-I707 HydrophobicContact CG2-CD1 3.55Å; V531-I707 HydrophobicContact CG2-CG1 3.86Å; V531-D708 PolarHBondContact N-O 2.99Å; V531-N709 CarbonylContact O-C 3.6Å; V531-N709 WeakPolarHBondContact O-CA 3.43Å; V531-F710 WeakPolarHBondContact O-CD1 3.38Å; V531-F710 PolarHBondContact O-N 2.91Å
532	T	98.9	Very high	98.9	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.025	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.9	176.6	-166.8	0	0	0	0	111.2	L534 G631 F710 M715	T532-L534 HydrophobicContact CG2-CD1 4.23Å; T532-L534 HydrophobicContact CG2-CD2 3.86Å; T532-L534 HydrophobicContact CG2-CG 3.88Å; T532-G631 PolarHBondContact N-O 3.29Å; T532-G631 PolarHBondContact O-N 2.92Å; T532-F710 VanDerWaalsContact CB-CE1 3.47Å; T532-F710 VanDerWaalsContact CB-CZ 3.5Å; T532-F710 WeakPolarHBondContact CB-O 3.4Å; T532-F710 HydrophobicContact CG2-CD1 4.46Å; T532-F710 HydrophobicContact CG2-CE1 3.64Å; T532-F710 HydrophobicContact CG2-CE2 3.83Å; T532-F710 HydrophobicContact CG2-CZ 3.28Å; T532-F710 PolarHBondContact OG1-O 3.15Å; T532-M715 HydrophobicContact CG2-CE 3.86Å
533	D	98.9	Very high	98.8	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.053	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.1	175.4	-171.8	-1.3	0	0	0	109.9	Q492 S535	Q492-D533 PolarHBondContact NE2-O 2.87Å; D533-S535 WeakPolarHBondContact OD1-CB 3.46Å; D533-S535 PolarHBondContact OD1-N 2.77Å; D533-S535 PolarHBondContact OD1-OG 2.99Å
534	L	98.9	Very high	98.8	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.068	11%	0.111	C	C	.	.			trans	-112.2	12.3	177.6	-57.3	177.2	0	0	0	111.8	T532 P536 F537 V629 E683 M715	T532-L534 HydrophobicContact CG2-CD1 4.23Å; T532-L534 HydrophobicContact CG2-CD2 3.86Å; T532-L534 HydrophobicContact CG2-CG 3.88Å; L534-P536 VanDerWaalsContact O-N 3.07Å; L534-F537 HydrophobicContact CB-CD2 3.99Å; L534-F537 HydrophobicContact CB-CE2 3.62Å; L534-F537 HydrophobicContact CB-CZ 4.14Å; L534-F537 HydrophobicContact CD1-CE2 3.92Å; L534-F537 HydrophobicContact CD1-CZ 4.19Å; L534-F537 HydrophobicContact CD2-CZ 4.27Å; L534-F537 HydrophobicContact CG-CE2 4.22Å; L534-F537 HydrophobicContact CG-CZ 4.42Å; L534-F537 WeakPolarHBondContact O-CD2 3.12Å; L534-F537 PolarHBondContact O-N 3.43Å; L534-V629 CarbonylContact C-O 3.5Å; L534-V629 HydrophobicContact CB-CB 3.94Å; L534-V629 HydrophobicContact CB-CG1 3.93Å; L534-V629 PolarHBondContact N-O 3.03Å; L534-E683 HydrophobicContact CD1-CG 4.16Å; L534-M715 HydrophobicContact CD2-CE 4.32Å
535	S	98.9	Very high	98.7	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-28.5	176.7	-55.8	0	0	0	0	114.4	D533 F537 K539 G628 V629	D533-S535 WeakPolarHBondContact OD1-CB 3.46Å; D533-S535 PolarHBondContact OD1-N 2.77Å; D533-S535 PolarHBondContact OD1-OG 2.99Å; S535-F537 PolarHBondContact O-N 2.85Å; S535-F537 VanDerWaalsContact O-N 3.16Å; S535-K539 PolarHBondContact O-NZ 2.94Å; S535-G628 WeakPolarHBondContact OG-CA 3.25Å; S535-V629 PolarHBondContact N-O 3.39Å; S535-V629 PolarHBondContact OG-N 3.3Å
536	P	98.8	Very high	98.7	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.8	178.8	-28.9	39	0	0	0	117	W490 Q492 L534 S597	W490-P536 HydrophobicContact CB-CB 4Å; W490-P536 HydrophobicContact CB-CG 3.8Å; W490-P536 HydrophobicContact CD2-CB 4.32Å; W490-P536 HydrophobicContact CD2-CG 4.31Å; W490-P536 HydrophobicContact CG-CB 3.77Å; W490-P536 HydrophobicContact CG-CG 3.93Å; Q492-P536 HydrophobicContact CB-CG 3.99Å; Q492-P536 HydrophobicContact CG-CG 3.96Å; L534-P536 VanDerWaalsContact O-N 3.07Å; P536-S597 WeakPolarHBondContact O-CA 3.49Å; P536-S597 WeakPolarHBondContact O-CB 3.48Å
537	F	98.9	Very high	98.7	Very high	50 Å²	50	28.5 Å²	28.5	22%	0.219	14%	0.141	C	C	.	.	S	Bend	trans	-51.3	145.3	-179.4	-72.6	-37.2	0	0	0	113.3	L534 S535 K539 I594 T595 T624	L534-F537 HydrophobicContact CB-CD2 3.99Å; L534-F537 HydrophobicContact CB-CE2 3.62Å; L534-F537 HydrophobicContact CB-CZ 4.14Å; L534-F537 HydrophobicContact CD1-CE2 3.92Å; L534-F537 HydrophobicContact CD1-CZ 4.19Å; L534-F537 HydrophobicContact CD2-CZ 4.27Å; L534-F537 HydrophobicContact CG-CE2 4.22Å; L534-F537 HydrophobicContact CG-CZ 4.42Å; L534-F537 WeakPolarHBondContact O-CD2 3.12Å; L534-F537 PolarHBondContact O-N 3.43Å; S535-F537 PolarHBondContact O-N 2.85Å; S535-F537 VanDerWaalsContact O-N 3.16Å; F537-K539 HydrophobicContact CB-CG 4.41Å; F537-K539 WeakPolarHBondContact O-CE 3.41Å; F537-K539 WeakPolarHBondContact O-CG 3.35Å; F537-K539 PolarHBondContact O-NZ 3.07Å; F537-I594 HydrophobicContact CB-CG2 3.75Å; F537-I594 HydrophobicContact CD1-CG2 4.44Å; F537-I594 HydrophobicContact CD2-CG2 3.69Å; F537-I594 HydrophobicContact CE2-CG2 4.35Å; F537-I594 HydrophobicContact CG-CG2 3.75Å; F537-T595 CarbonylContact C-O 3.49Å; F537-T595 WeakPolarHBondContact CA-O 3.33Å; F537-T595 WeakPolarHBondContact CB-O 3.4Å; F537-T595 WeakPolarHBondContact CD1-O 3.15Å; F537-T624 WeakPolarHBondContact O-CG2 3.45Å
538	G	98.8	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.9	164.2	0	0	0	0	0	110.2	I594 T595 T624	G538-I594 WeakPolarHBondContact O-CA 3.44Å; G538-T595 PolarHBondContact N-O 3.26Å; G538-T595 PolarHBondContact O-N 3.42Å; G538-T624 WeakPolarHBondContact CA-OG1 3.35Å
539	K	98.9	Very high	98.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	119.2	-169.3	-43.2	172	-164.5	72.3	0	110.8	S535 F537 L592 L593 I594 N622 I623 T624 L627 V629	S535-K539 PolarHBondContact O-NZ 2.94Å; F537-K539 HydrophobicContact CB-CG 4.41Å; F537-K539 WeakPolarHBondContact O-CE 3.41Å; F537-K539 WeakPolarHBondContact O-CG 3.35Å; F537-K539 PolarHBondContact O-NZ 3.07Å; K539-L592 HydrophobicContact CB-CD1 4.47Å; K539-L593 WeakPolarHBondContact CA-O 3.35Å; K539-I594 HydrophobicContact CB-CD1 4.1Å; K539-I594 HydrophobicContact CG-CD1 4.04Å; K539-N622 PolarHBondContact O-OD1 3.12Å; K539-I623 HydrophobicContact CB-CG1 4.08Å; K539-I623 WeakPolarHBondContact O-CG1 3.41Å; K539-I623 PolarHBondContact O-N 3.21Å; K539-T624 PolarHBondContact N-OG1 3.37Å; K539-T624 PolarHBondContact NZ-O 3.41Å; K539-T624 PolarHBondContact O-N 2.89Å; K539-L627 HydrophobicContact CD-CB 3.75Å; K539-L627 HydrophobicContact CD-CD1 4.24Å; K539-L627 VanDerWaalsContact CE-O 3.31Å; K539-L627 WeakPolarHBondContact CE-O 3.47Å; K539-L627 PolarHBondContact NZ-O 2.77Å; K539-V629 HydrophobicContact CD-CG2 4.38Å
540	F	98.9	Very high	98.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.9	-177.9	-36.9	-51.8	0	0	0	110.8	L581 L592 L593 T595 E600 D603 L604 I607 K621 N622	F540-L581 HydrophobicContact CD2-CD2 4.46Å; F540-L581 HydrophobicContact CE2-CD2 4.18Å; F540-L592 CarbonylContact O-C 3.48Å; F540-L592 WeakPolarHBondContact O-CA 3.3Å; F540-L593 HydrophobicContact CB-CB 4.25Å; F540-L593 HydrophobicContact CD2-CB 3.96Å; F540-L593 PolarHBondContact N-O 2.89Å; F540-L593 PolarHBondContact O-N 2.93Å; F540-T595 HydrophobicContact CE2-CG2 3.89Å; F540-T595 HydrophobicContact CZ-CG2 3.8Å; F540-E600 HydrophobicContact CE1-CG 3.99Å; F540-E600 HydrophobicContact CZ-CG 4.27Å; F540-E600 WeakPolarHBondContact CZ-O 3.24Å; F540-D603 HydrophobicContact CE2-CB 4.27Å; F540-L604 HydrophobicContact CD1-CD1 4.16Å; F540-L604 HydrophobicContact CE1-CB 4.08Å; F540-L604 HydrophobicContact CE1-CD1 4.44Å; F540-L604 HydrophobicContact CG-CD1 4.4Å; F540-L604 HydrophobicContact CZ-CB 4.1Å; F540-I607 HydrophobicContact CD2-CD1 4Å; F540-I607 HydrophobicContact CE2-CD1 4.26Å; F540-K621 CarbonylContact C-O 3.55Å; F540-K621 VanDerWaalsContact CA-O 3.32Å; F540-K621 WeakPolarHBondContact CA-O 3.16Å; F540-N622 HydrophobicContact CD1-CB 4.3Å
541	N	98.9	Very high	98.7	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.102	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.7	166.8	178.7	-89.4	0	0	0	108.8	E590 F591 K621 I623	N541-E590 PolarHBondContact ND2-OE1 2.65Å; N541-F591 CarbonylContact C-O 3.51Å; N541-F591 WeakPolarHBondContact CA-O 3.42Å; N541-K621 PolarHBondContact N-O 3.14Å; N541-K621 PolarHBondContact O-N 2.77Å; N541-I623 HydrophobicContact CB-CD1 4.07Å
542	I	98.9	Very high	98.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.5	179.1	-56.7	-177.6	0	0	0	108.9	L551 E590 F591 L593 I607 E619 I620	I542-L551 HydrophobicContact CD1-CD2 3.97Å; I542-E590 WeakPolarHBondContact O-CA 3.45Å; I542-F591 PolarHBondContact N-O 3.15Å; I542-F591 PolarHBondContact O-N 3.04Å; I542-L593 HydrophobicContact CD1-CD1 3.45Å; I542-L593 VanDerWaalsContact CD1-CD1 3.45Å; I542-L593 HydrophobicContact CD1-CG 3.99Å; I542-L593 HydrophobicContact CG1-CD1 4.48Å; I542-I607 HydrophobicContact CD1-CG2 3.9Å; I542-E619 WeakPolarHBondContact CA-O 3.35Å; I542-I620 HydrophobicContact CD1-CG1 4.41Å; I542-I620 HydrophobicContact CG1-CG1 4.18Å; I542-I620 HydrophobicContact CG1-CG2 4.21Å; I542-I620 HydrophobicContact CG2-CG1 4.33Å
543	K	98.6	Very high	98.7	Very high	63 Å²	63	32.5 Å²	32.5	27%	0.274	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	179.5	177	63.9	175.6	177.4	140.8	0	110.6	G589 E590 V618 E619	K543-G589 WeakPolarHBondContact CA-O 3.09Å; K543-E590 HydrophobicContact CB-CB 4.3Å; K543-E590 HydrophobicContact CB-CG 4.21Å; K543-V618 WeakPolarHBondContact O-CA 3.49Å; K543-E619 VanDerWaalsContact CE-CD 3.45Å; K543-E619 WeakPolarHBondContact CE-OE2 3.5Å; K543-E619 HydrophobicContact CG-CB 4.02Å; K543-E619 PolarHBondContact N-O 2.87Å; K543-E619 IonicContact NZ-OE1 2.98Å; K543-E619 PolarHBondContact NZ-OE1 2.74Å; K543-E619 IonicContact NZ-OE2 2.83Å; K543-E619 PolarHBondContact NZ-OE2 2.55Å; K543-E619 PolarHBondContact O-N 3.14Å
544	G	97.9	Very high	98.7	Very high	36 Å²	36	32 Å²	32	37%	0.371	16%	0.158	S	C	.	.	S	Bend	trans	114.6	173.1	-179.5	0	0	0	0	0	112.1	D546 S547	G544-D546 VanDerWaalsContact C-N 3.26Å; G544-D546 PolarHBondContact O-N 2.83Å; G544-S547 PolarHBondContact O-N 3.2Å; G544-S547 PolarHBondContact O-OG 2.98Å
545	Q	97.9	Very high	98.7	Very high	168 Å²	168	31.4 Å²	31.4	79%	0.785	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.7	-170.8	-175.7	174.3	2.7	0	0	112.4	D617	Q545-D617 PolarHBondContact N-O 3.49Å
546	D	98.8	Very high	98.7	Very high	32 Å²	32	31.3 Å²	31.3	17%	0.171	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	7.4	-176	-88.7	-32.5	0	0	0	114.3	G544 I548 R549 L550 Y616 D617 V618	G544-D546 VanDerWaalsContact C-N 3.26Å; G544-D546 PolarHBondContact O-N 2.83Å; D546-I548 VanDerWaalsContact C-N 3.33Å; D546-I548 PolarHBondContact O-N 2.96Å; D546-R549 WeakPolarHBondContact O-CA 3.38Å; D546-R549 WeakPolarHBondContact O-CB 3.5Å; D546-R549 PolarHBondContact O-N 2.73Å; D546-R549 IonicContact OD1-CZ 3.64Å; D546-R549 IonicContact OD1-NE 2.86Å; D546-R549 PolarHBondContact OD1-NE 2.91Å; D546-R549 IonicContact OD1-NH2 2.81Å; D546-R549 IonicContact OD2-CZ 3.65Å; D546-R549 IonicContact OD2-NE 3.64Å; D546-R549 IonicContact OD2-NH2 2.78Å; D546-R549 PolarHBondContact OD2-NH2 3.44Å; D546-L550 PolarHBondContact O-N 2.96Å; D546-Y616 HydrophobicContact CB-CD1 4.15Å; D546-D617 PolarHBondContact N-O 2.88Å; D546-D617 VanDerWaalsContact N-O 3.12Å; D546-D617 PolarHBondContact OD2-N 3.3Å; D546-V618 HydrophobicContact CB-CG1 3.95Å
547	S	98.8	Very high	98.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-46.2	-172.8	63.6	0	0	0	0	112.3	G544 R549 L550 L551 G589	G544-S547 PolarHBondContact O-N 3.2Å; G544-S547 PolarHBondContact O-OG 2.98Å; S547-R549 VanDerWaalsContact C-N 3.34Å; S547-R549 PolarHBondContact O-N 2.91Å; S547-L550 PolarHBondContact O-N 2.94Å; S547-L551 WeakPolarHBondContact O-CB 3.39Å; S547-L551 VanDerWaalsContact O-CG 3.26Å; S547-L551 WeakPolarHBondContact O-CG 3.37Å; S547-L551 PolarHBondContact O-N 2.95Å; S547-G589 WeakPolarHBondContact CB-O 3.41Å; S547-G589 WeakPolarHBondContact OG-CA 3.32Å; S547-G589 PolarHBondContact OG-O 2.93Å
548	I	98.8	Very high	98.7	Very high	81 Å²	81	32.6 Å²	32.6	42%	0.415	17%	0.166	S	C	.	.	H	α-helix	trans	-62.8	-41.8	176.5	-59.9	178.1	0	0	0	110.9	D546 L551 D552 F591	D546-I548 VanDerWaalsContact C-N 3.33Å; D546-I548 PolarHBondContact O-N 2.96Å; I548-L551 PolarHBondContact O-N 2.76Å; I548-D552 WeakPolarHBondContact O-CB 3.34Å; I548-D552 PolarHBondContact O-N 3.13Å; I548-F591 HydrophobicContact CG1-CE2 3.89Å; I548-F591 HydrophobicContact CG1-CZ 3.88Å
549	R	98.8	Very high	98.7	Very high	116 Å²	116	34.1 Å²	34.1	44%	0.438	17%	0.174	S	C	.	.	H	α-helix	trans	-64.7	-45.5	-178.2	-165.1	179.8	59.8	103.5	-8.4	110.8	D546 S547 H553 Y616	D546-R549 WeakPolarHBondContact O-CA 3.38Å; D546-R549 WeakPolarHBondContact O-CB 3.5Å; D546-R549 PolarHBondContact O-N 2.73Å; D546-R549 IonicContact OD1-CZ 3.64Å; D546-R549 IonicContact OD1-NE 2.86Å; D546-R549 PolarHBondContact OD1-NE 2.91Å; D546-R549 IonicContact OD1-NH2 2.81Å; D546-R549 IonicContact OD2-CZ 3.65Å; D546-R549 IonicContact OD2-NE 3.64Å; D546-R549 IonicContact OD2-NH2 2.78Å; D546-R549 PolarHBondContact OD2-NH2 3.44Å; S547-R549 VanDerWaalsContact C-N 3.34Å; S547-R549 PolarHBondContact O-N 2.91Å; R549-H553 PolarHBondContact O-N 3.35Å; R549-Y616 HydrophobicContact CB-CD1 4.37Å; R549-Y616 HydrophobicContact CB-CE1 4.22Å; R549-Y616 HydrophobicContact CG-CD1 4.43Å; R549-Y616 HydrophobicContact CG-CE1 3.92Å; R549-Y616 VanDerWaalsContact NH2-CD1 3.29Å
550	L	98.9	Very high	98.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-54.2	175.3	174.1	61	0	0	0	110.8	D546 S547 D552 H553 L554 I607 E610 A611 Y616 V618 I620	D546-L550 PolarHBondContact O-N 2.96Å; S547-L550 PolarHBondContact O-N 2.94Å; L550-D552 PolarHBondContact O-N 2.92Å; L550-H553 PolarHBondContact O-N 3.48Å; L550-L554 HydrophobicContact CD1-CD1 3.66Å; L550-L554 HydrophobicContact CD1-CG 4.04Å; L550-L554 HydrophobicContact CG-CD1 3.82Å; L550-L554 PolarHBondContact O-N 3.45Å; L550-I607 HydrophobicContact CD2-CG2 4.48Å; L550-E610 HydrophobicContact CD1-CB 4.42Å; L550-E610 HydrophobicContact CD1-CG 3.96Å; L550-A611 HydrophobicContact CD1-CB 4.35Å; L550-A611 HydrophobicContact CD2-CB 4.01Å; L550-Y616 HydrophobicContact CB-CD1 3.76Å; L550-Y616 HydrophobicContact CB-CE1 4.14Å; L550-Y616 HydrophobicContact CB-CG 4.02Å; L550-Y616 HydrophobicContact CD1-CD1 4.41Å; L550-Y616 HydrophobicContact CD1-CD2 3.79Å; L550-Y616 HydrophobicContact CD1-CE2 3.88Å; L550-Y616 HydrophobicContact CD1-CG 4.05Å; L550-V618 HydrophobicContact CB-CG1 4.44Å; L550-V618 HydrophobicContact CD2-CB 4.46Å; L550-V618 HydrophobicContact CD2-CG1 4.14Å; L550-V618 HydrophobicContact CD2-CG2 3.78Å; L550-I620 HydrophobicContact CD2-CD1 4.45Å
551	L	98.9	Very high	98.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-39.4	-176.5	-63.6	-166.1	0	0	0	111.8	I542 S547 I548 H553 L554 F555 I559 V583 F591 L593	I542-L551 HydrophobicContact CD1-CD2 3.97Å; S547-L551 WeakPolarHBondContact O-CB 3.39Å; S547-L551 VanDerWaalsContact O-CG 3.26Å; S547-L551 WeakPolarHBondContact O-CG 3.37Å; S547-L551 PolarHBondContact O-N 2.95Å; I548-L551 PolarHBondContact O-N 2.76Å; L551-H553 PolarHBondContact O-N 2.93Å; L551-L554 HydrophobicContact CD2-CD1 4.41Å; L551-L554 PolarHBondContact O-N 2.92Å; L551-F555 HydrophobicContact CB-CD2 4.16Å; L551-F555 HydrophobicContact CD2-CD2 4.34Å; L551-F555 HydrophobicContact CD2-CE2 3.98Å; L551-F555 VanDerWaalsContact O-CB 3.32Å; L551-F555 WeakPolarHBondContact O-CB 3.42Å; L551-F555 WeakPolarHBondContact O-CD2 3.34Å; L551-F555 PolarHBondContact O-N 2.96Å; L551-I559 HydrophobicContact CB-CD1 3.58Å; L551-I559 HydrophobicContact CB-CG1 4.38Å; L551-V583 HydrophobicContact CD1-CG1 4.36Å; L551-F591 HydrophobicContact CD1-CB 3.74Å; L551-F591 HydrophobicContact CD1-CD1 3.75Å; L551-F591 HydrophobicContact CD1-CD2 3.54Å; L551-F591 HydrophobicContact CD1-CE1 4.23Å; L551-F591 HydrophobicContact CD1-CE2 4.05Å; L551-F591 HydrophobicContact CD1-CG 3.37Å; L551-F591 HydrophobicContact CD1-CZ 4.37Å; L551-L593 HydrophobicContact CD1-CD2 4.28Å; L551-L593 HydrophobicContact CD2-CD1 4.2Å
552	D	98.8	Very high	98.7	Very high	39 Å²	39	44.9 Å²	44.9	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-21.9	-179.7	-157.9	29.4	0	0	0	112.2	I548 L550 I559 K750 A752	I548-D552 WeakPolarHBondContact O-CB 3.34Å; I548-D552 PolarHBondContact O-N 3.13Å; L550-D552 PolarHBondContact O-N 2.92Å; D552-I559 HydrophobicContact CB-CD1 4.42Å; D552-I559 HydrophobicContact CB-CG1 3.78Å; D552-K750 WeakPolarHBondContact O-CE 3.29Å; D552-K750 PolarHBondContact O-NZ 3.11Å; D552-K750 IonicContact OD1-NZ 2.73Å; D552-K750 PolarHBondContact OD1-NZ 3.15Å; D552-A752 HydrophobicContact CB-CB 4.16Å; D552-A752 WeakPolarHBondContact O-CB 3.17Å; D552-A752 WeakPolarHBondContact OD2-CB 3.17Å
553	H	98.9	Very high	98.7	Very high	50 Å²	50	45.8 Å²	45.8	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-84.7	-39.6	170.5	-172.1	63.1	0	0	0	113.2	R549 L550 L551 E610 Y616 D753 F754 I755	R549-H553 PolarHBondContact O-N 3.35Å; L550-H553 PolarHBondContact O-N 3.48Å; L551-H553 PolarHBondContact O-N 2.93Å; H553-E610 IonicContact CD2-OE1 3.76Å; H553-E610 PolarHBondContact CD2-OE1 3.48Å; H553-E610 VanDerWaalsContact CD2-OE1 3.26Å; H553-E610 IonicContact NE2-OE1 2.79Å; H553-Y616 PolarHBondContact CD2-OH 3.41Å; H553-D753 PolarHBondContact CE1-O 3.47Å; H553-D753 PolarHBondContact ND1-O 2.91Å; H553-F754 CarbonylContact O-C 3.54Å; H553-F754 WeakPolarHBondContact O-CA 3.48Å; H553-F754 WeakPolarHBondContact O-CB 3.16Å; H553-I755 WeakPolarHBondContact NE2-CG1 3.39Å; H553-I755 PolarHBondContact O-N 3.35Å
554	L	98.9	Very high	98.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-38.9	179	-84	172.2	0	0	0	113.1	L550 L551 M570 I607 E610 I755	L550-L554 HydrophobicContact CD1-CD1 3.66Å; L550-L554 HydrophobicContact CD1-CG 4.04Å; L550-L554 HydrophobicContact CG-CD1 3.82Å; L550-L554 PolarHBondContact O-N 3.45Å; L551-L554 HydrophobicContact CD2-CD1 4.41Å; L551-L554 PolarHBondContact O-N 2.92Å; L554-M570 HydrophobicContact CD2-SD 4.17Å; L554-I607 HydrophobicContact CD1-CB 4.31Å; L554-I607 HydrophobicContact CD1-CG1 4.16Å; L554-I607 HydrophobicContact CD1-CG2 3.96Å; L554-E610 HydrophobicContact CD2-CB 3.75Å; L554-E610 HydrophobicContact CD2-CG 3.72Å; L554-E610 HydrophobicContact CG-CB 4.39Å; L554-E610 HydrophobicContact CG-CG 4.04Å; L554-I755 HydrophobicContact CD2-CD1 4.1Å
555	F	98.9	Very high	98.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-100.7	144.7	-167.1	-79.9	-61.4	0	0	0	113.8	L551 S568 H569 M570 L581 V583 L593 K750 F754	L551-F555 HydrophobicContact CB-CD2 4.16Å; L551-F555 HydrophobicContact CD2-CD2 4.34Å; L551-F555 HydrophobicContact CD2-CE2 3.98Å; L551-F555 VanDerWaalsContact O-CB 3.32Å; L551-F555 WeakPolarHBondContact O-CB 3.42Å; L551-F555 WeakPolarHBondContact O-CD2 3.34Å; L551-F555 PolarHBondContact O-N 2.96Å; F555-S568 VanDerWaalsContact CB-OG 3.25Å; F555-S568 WeakPolarHBondContact CB-OG 3.49Å; F555-S568 VanDerWaalsContact CD1-OG 3.26Å; F555-S568 WeakPolarHBondContact CD1-OG 3.47Å; F555-S568 WeakPolarHBondContact CG-OG 3.34Å; F555-H569 WeakPolarHBondContact CA-O 3.42Å; F555-M570 HydrophobicContact CD1-CG 3.82Å; F555-M570 HydrophobicContact CE1-CG 3.44Å; F555-M570 VanDerWaalsContact CE1-CG 3.44Å; F555-M570 HydrophobicContact CE1-SD 4.44Å; F555-M570 HydrophobicContact CZ-CG 3.96Å; F555-M570 HydrophobicContact CZ-SD 4.4Å; F555-L581 HydrophobicContact CE1-CB 4.08Å; F555-L581 HydrophobicContact CE1-CD1 3.88Å; F555-L581 HydrophobicContact CZ-CB 4.09Å; F555-L581 HydrophobicContact CZ-CD1 4.15Å; F555-L581 HydrophobicContact CZ-CD2 4.47Å; F555-L581 HydrophobicContact CZ-CG 4.47Å; F555-V583 HydrophobicContact CD1-CG2 4.5Å; F555-V583 HydrophobicContact CD2-CG2 4.08Å; F555-V583 HydrophobicContact CE1-CG2 4.17Å; F555-V583 HydrophobicContact CE2-CG2 3.71Å; F555-V583 HydrophobicContact CG-CG2 4.47Å; F555-V583 HydrophobicContact CZ-CG2 3.78Å; F555-L593 HydrophobicContact CE2-CD1 4.08Å; F555-L593 HydrophobicContact CE2-CD2 4.3Å; F555-L593 HydrophobicContact CZ-CD1 4.12Å; F555-K750 VanDerWaalsContact O-CE 3.22Å; F555-K750 WeakPolarHBondContact O-CE 3.27Å; F555-K750 PolarHBondContact O-NZ 2.92Å; F555-F754 WeakPolarHBondContact O-CB 3.46Å
556	A	98.9	Very high	98.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-81.5	-22.7	176.2	0	0	0	0	0	114.4	H569 L571 V746 K747 F754	A556-H569 PolarHBondContact N-O 3.27Å; A556-L571 HydrophobicContact CB-CD1 3.91Å; A556-L571 HydrophobicContact CB-CG 4.14Å; A556-V746 HydrophobicContact CB-CG1 4.34Å; A556-V746 HydrophobicContact CB-CG2 4.38Å; A556-K747 PolarHBondContact O-N 3.07Å; A556-F754 HydrophobicContact CB-CD2 3.98Å; A556-F754 HydrophobicContact CB-CE2 3.63Å; A556-F754 HydrophobicContact CB-CZ 4.12Å
557	N	98.8	Very high	98.8	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.059	19%	0.189	C	C	.	.	S	Bend	trans	-83.4	172.4	173.6	-151.4	-11.2	0	0	0	111.2	I567 S568 F745 K747 K750	N557-I567 PolarHBondContact ND2-O 3.17Å; N557-S568 WeakPolarHBondContact CB-OG 3.34Å; N557-S568 PolarHBondContact N-OG 2.94Å; N557-F745 WeakPolarHBondContact CA-O 3.37Å; N557-F745 WeakPolarHBondContact CB-O 3.19Å; N557-F745 PolarHBondContact N-O 2.84Å; N557-F745 PolarHBondContact OD1-O 3.02Å; N557-K747 WeakPolarHBondContact OD1-CE 3.3Å; N557-K747 VanDerWaalsContact OD1-CG 3.31Å; N557-K747 WeakPolarHBondContact OD1-CG 3.34Å; N557-K750 PolarHBondContact O-NZ 2.92Å
558	V	98.7	Very high	98.8	Very high	69 Å²	69	37.8 Å²	37.8	42%	0.418	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-70.1	151.9	166.6	-68.9	0	0	0	0	110.9	N566 K747	V558-N566 PolarHBondContact O-ND2 3.05Å; V558-K747 HydrophobicContact CG1-CB 4.36Å; V558-K747 HydrophobicContact CG1-CG 4.1Å
559	I	98.8	Very high	98.8	Very high	32 Å²	32	33.9 Å²	33.9	16%	0.164	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-70	130.7	168.2	-57.6	-49.4	0	0	0	109.6	L551 D552 F591	L551-I559 HydrophobicContact CB-CD1 3.58Å; L551-I559 HydrophobicContact CB-CG1 4.38Å; D552-I559 HydrophobicContact CB-CD1 4.42Å; D552-I559 HydrophobicContact CB-CG1 3.78Å; I559-F591 HydrophobicContact CG2-CE1 3.42Å; I559-F591 VanDerWaalsContact CG2-CE1 3.42Å; I559-F591 HydrophobicContact CG2-CZ 3.57Å
560	P	98.7	Very high	98.8	Very high	11 Å²	11	28.4 Å²	28.4	7%	0.071	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-66.8	156	-179.6	23.6	-28.2	0	0	0	111.3	F564 V583 H585	P560-F564 HydrophobicContact CB-CB 4.19Å; P560-V583 HydrophobicContact CG-CB 4.35Å; P560-V583 HydrophobicContact CG-CG1 4Å; P560-V583 WeakPolarHBondContact CG-O 3.26Å; P560-H585 HydrophobicContact CG-CB 4.12Å; P560-H585 PolarHBondContact O-ND1 2.97Å
561	K	98.7	Very high	98.8	Very high	166 Å²	166	28.4 Å²	28.4	72%	0.722	15%	0.148	S	C	*	.	P	Polyproline II helix	trans	-69.7	157.3	171.2	-62.2	-177.3	179.8	-176.1	0	109.9	G563 F564	K561-G563 PolarHBondContact O-N 3.5Å; K561-F564 HydrophobicContact CB-CD2 4.02Å; K561-F564 WeakPolarHBondContact O-CB 3.35Å; K561-F564 PolarHBondContact O-N 2.91Å
562	V	98.8	Very high	98.8	Very high	67 Å²	67	28.4 Å²	28.4	41%	0.406	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	135.4	173.6	-178.4	0	0	0	0	110.3	F564 H585 P588	V562-F564 VanDerWaalsContact C-N 3.31Å; V562-F564 WeakPolarHBondContact O-CD2 3.43Å; V562-H585 VanDerWaalsContact CG2-CE1 3.47Å; V562-H585 WeakPolarHBondContact CG2-CE1 3.1Å; V562-H585 WeakPolarHBondContact CG2-NE2 3.39Å; V562-H585 PolarHBondContact N-ND1 3.26Å; V562-P588 HydrophobicContact CG2-CB 4.29Å; V562-P588 HydrophobicContact CG2-CG 4.04Å
563	G	98.6	Very high	98.8	Very high	20 Å²	20	29.8 Å²	29.8	21%	0.206	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	9.5	-175	0	0	0	0	0	114.2	K561 H585 Q658 T659	K561-G563 PolarHBondContact O-N 3.5Å; G563-H585 PolarHBondContact N-O 2.67Å; G563-Q658 WeakPolarHBondContact O-CA 3.39Å; G563-T659 VanDerWaalsContact C-CG2 3.5Å; G563-T659 PolarHBondContact O-N 3.25Å
564	F	98.9	Very high	98.8	Very high	72 Å²	72	32.9 Å²	32.9	32%	0.316	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	161.9	177.9	-68.4	-94.2	0	0	0	113	P560 K561 V562 H585 L657 Q658	P560-F564 HydrophobicContact CB-CB 4.19Å; K561-F564 HydrophobicContact CB-CD2 4.02Å; K561-F564 WeakPolarHBondContact O-CB 3.35Å; K561-F564 PolarHBondContact O-N 2.91Å; V562-F564 VanDerWaalsContact C-N 3.31Å; V562-F564 WeakPolarHBondContact O-CD2 3.43Å; F564-H585 PolarHBondContact O-N 3.02Å; F564-L657 CarbonylContact C-O 3.54Å; F564-L657 WeakPolarHBondContact CA-O 3.43Å; F564-Q658 HydrophobicContact CD1-CG 3.75Å; F564-Q658 HydrophobicContact CE1-CG 3.43Å; F564-Q658 VanDerWaalsContact CE1-CG 3.43Å; F564-Q658 HydrophobicContact CG-CG 4.46Å; F564-Q658 HydrophobicContact CZ-CG 3.88Å
565	T	98.9	Very high	98.8	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.025	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.9	-179.2	-55.1	0	0	0	0	109.4	T582 V583 S584 L657 I672	T565-T582 HydrophobicContact CG2-CG2 3.11Å; T565-V583 CarbonylContact C-O 3.5Å; T565-V583 WeakPolarHBondContact CA-O 3.49Å; T565-V583 WeakPolarHBondContact CG2-O 3.32Å; T565-S584 PolarHBondContact OG1-OG 3.09Å; T565-S584 VanDerWaalsContact OG1-OG 3.05Å; T565-L657 PolarHBondContact N-O 3.02Å; T565-L657 WeakPolarHBondContact O-CB 3.37Å; T565-I672 HydrophobicContact CG2-CG2 4.1Å; T565-I672 WeakPolarHBondContact OG1-CG2 3.48Å
566	N	98.8	Very high	98.8	Very high	19 Å²	19	36 Å²	36	10%	0.102	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	169.7	163.9	67.3	9.6	0	0	0	111.3	V558 T582 V583	V558-N566 PolarHBondContact O-ND2 3.05Å; N566-T582 WeakPolarHBondContact O-CA 3.37Å; N566-V583 PolarHBondContact N-O 2.72Å; N566-V583 PolarHBondContact O-N 2.65Å
567	I	98.8	Very high	98.8	Very high	35 Å²	35	36 Å²	36	18%	0.179	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.2	168.5	-51.9	-54.4	0	0	0	108.2	N557 E580 T582 I674 F745	N557-I567 PolarHBondContact ND2-O 3.17Å; I567-E580 HydrophobicContact CG2-CG 3.79Å; I567-T582 HydrophobicContact CD1-CG2 4.45Å; I567-T582 VanDerWaalsContact CD1-OG1 3.28Å; I567-T582 WeakPolarHBondContact CD1-OG1 3.27Å; I567-I674 HydrophobicContact CD1-CD1 4.01Å; I567-F745 HydrophobicContact CB-CD1 3.94Å; I567-F745 HydrophobicContact CB-CE1 3.86Å; I567-F745 HydrophobicContact CG1-CE1 4.29Å; I567-F745 HydrophobicContact CG2-CD1 4.44Å; I567-F745 HydrophobicContact CG2-CE1 4.47Å
568	S	98.8	Very high	98.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159	-178.7	-157.1	0	0	0	0	111.3	F555 N557 L581	F555-S568 VanDerWaalsContact CB-OG 3.25Å; F555-S568 WeakPolarHBondContact CB-OG 3.49Å; F555-S568 VanDerWaalsContact CD1-OG 3.26Å; F555-S568 WeakPolarHBondContact CD1-OG 3.47Å; F555-S568 WeakPolarHBondContact CG-OG 3.34Å; N557-S568 WeakPolarHBondContact CB-OG 3.34Å; N557-S568 PolarHBondContact N-OG 2.94Å; S568-L581 PolarHBondContact N-O 3.34Å; S568-L581 PolarHBondContact O-N 3.45Å; S568-L581 VanDerWaalsContact O-O 3.08Å
569	H	98.9	Very high	98.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.2	-173.6	-55.3	87.3	0	0	0	110.2	F555 A556 L571 V577 A579 E580 F745	F555-H569 WeakPolarHBondContact CA-O 3.42Å; A556-H569 PolarHBondContact N-O 3.27Å; H569-L571 HydrophobicContact CB-CD2 4.05Å; H569-V577 HydrophobicContact CB-CG1 4.46Å; H569-A579 CarbonylContact C-O 3.55Å; H569-A579 VanDerWaalsContact CA-O 3.27Å; H569-A579 WeakPolarHBondContact CA-O 3.33Å; H569-E580 IonicContact CD2-OE2 3.49Å; H569-E580 IonicContact CE1-OE2 3.19Å; H569-E580 IonicContact NE2-OE2 2.76Å; H569-E580 PolarHBondContact NE2-OE2 3.42Å; H569-F745 AromaticContact CE1-CD2 3.87Å; H569-F745 AromaticContact CE1-CG 3.81Å
570	M	98.9	Very high	98.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.4	165	-62.1	-165.9	-62.6	0	0	107.6	L554 F555 Y578 A579 L581 D603 W606 I607	L554-M570 HydrophobicContact CD2-SD 4.17Å; F555-M570 HydrophobicContact CD1-CG 3.82Å; F555-M570 HydrophobicContact CE1-CG 3.44Å; F555-M570 VanDerWaalsContact CE1-CG 3.44Å; F555-M570 HydrophobicContact CE1-SD 4.44Å; F555-M570 HydrophobicContact CZ-CG 3.96Å; F555-M570 HydrophobicContact CZ-SD 4.4Å; M570-Y578 HydrophobicContact CE-CD1 4.23Å; M570-Y578 PolarHBondContact O-N 3.11Å; M570-A579 HydrophobicContact CB-CB 4.27Å; M570-A579 HydrophobicContact CE-CB 3.64Å; M570-A579 PolarHBondContact N-O 2.97Å; M570-A579 PolarHBondContact O-N 3Å; M570-A579 VanDerWaalsContact O-N 3.15Å; M570-L581 HydrophobicContact CE-CD1 3.76Å; M570-L581 HydrophobicContact CG-CD1 4.05Å; M570-L581 HydrophobicContact SD-CD1 4.37Å; M570-D603 HydrophobicContact CE-CB 3.98Å; M570-W606 HydrophobicContact CE-CB 4.37Å; M570-I607 HydrophobicContact CE-CD1 4.3Å; M570-I607 HydrophobicContact CE-CG1 3.99Å; M570-I607 HydrophobicContact SD-CD1 4.25Å; M570-I607 HydrophobicContact SD-CG1 3.64Å
571	L	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	152.3	179.7	-51.7	-178.7	0	0	0	111	A556 H569 R576 V577 P737 F754 I755 L760	A556-L571 HydrophobicContact CB-CD1 3.91Å; A556-L571 HydrophobicContact CB-CG 4.14Å; H569-L571 HydrophobicContact CB-CD2 4.05Å; L571-R576 CarbonylContact C-O 3.57Å; L571-R576 WeakPolarHBondContact CA-O 3.29Å; L571-R576 WeakPolarHBondContact CB-O 3.45Å; L571-V577 HydrophobicContact CD2-CG2 4.14Å; L571-P737 HydrophobicContact CD1-CG 4.16Å; L571-P737 HydrophobicContact CD2-CG 3.88Å; L571-F754 HydrophobicContact CD1-CE2 4Å; L571-I755 WeakPolarHBondContact O-CG2 3.45Å; L571-L760 HydrophobicContact CD1-CD1 3.35Å; L571-L760 HydrophobicContact CD1-CG 3.96Å
572	T	98.9	Very high	98.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.			trans	-74	161.1	167.1	74.5	0	0	0	0	110.6	E419 K574 G575 R576 Y578 G756	E419-T572 HydrophobicContact CB-CG2 3.96Å; E419-T572 VanDerWaalsContact OE1-CB 3.31Å; E419-T572 WeakPolarHBondContact OE1-CB 3.43Å; E419-T572 PolarHBondContact OE1-OG1 3.25Å; E419-T572 VanDerWaalsContact OE2-CB 3.24Å; E419-T572 WeakPolarHBondContact OE2-CB 3.23Å; E419-T572 PolarHBondContact OE2-OG1 3.28Å; T572-K574 PolarHBondContact O-N 2.97Å; T572-K574 VanDerWaalsContact O-N 3.13Å; T572-K574 PolarHBondContact OG1-N 3.32Å; T572-G575 WeakPolarHBondContact O-CA 3.35Å; T572-G575 PolarHBondContact O-N 2.98Å; T572-G575 PolarHBondContact OG1-N 3.1Å; T572-R576 HydrophobicContact CG2-CB 3.94Å; T572-R576 PolarHBondContact N-O 3.5Å; T572-R576 WeakPolarHBondContact OG1-CB 3.39Å; T572-R576 PolarHBondContact OG1-N 3.14Å; T572-Y578 HydrophobicContact CG2-CD2 4.24Å; T572-G756 WeakPolarHBondContact O-CA 3.16Å
573	P	98.9	Very high	98.9	Very high	69 Å²	69	22 Å²	22	45%	0.448	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-33.1	172.9	-30.3	36	0	0	0	114.5	E419 G575 I755 A759	E419-P573 VanDerWaalsContact OE1-CD 3.26Å; E419-P573 WeakPolarHBondContact OE1-CD 3.5Å; P573-G575 VanDerWaalsContact C-N 3.26Å; P573-G575 PolarHBondContact O-N 3.43Å; P573-I755 HydrophobicContact CG-CG2 4.03Å; P573-A759 WeakPolarHBondContact O-CB 3.42Å
574	K	98.8	Very high	98.9	Very high	114 Å²	114	21 Å²	21	50%	0.496	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	5.8	175.1	-62.8	169.1	67.8	-175.6	0	114	E419 T572	E419-K574 HydrophobicContact CG-CD 4.4Å; E419-K574 WeakPolarHBondContact OE1-CB 3.48Å; E419-K574 VanDerWaalsContact OE1-CG 3.3Å; E419-K574 WeakPolarHBondContact OE1-CG 3.44Å; E419-K574 PolarHBondContact OE1-N 3.15Å; E419-K574 WeakPolarHBondContact OE2-CB 3.43Å; T572-K574 PolarHBondContact O-N 2.97Å; T572-K574 VanDerWaalsContact O-N 3.13Å; T572-K574 PolarHBondContact OG1-N 3.32Å
575	G	98.7	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	81.8	23.2	173.8	0	0	0	0	0	114.5	T572 P573 N736 P737	T572-G575 WeakPolarHBondContact O-CA 3.35Å; T572-G575 PolarHBondContact O-N 2.98Å; T572-G575 PolarHBondContact OG1-N 3.1Å; P573-G575 VanDerWaalsContact C-N 3.26Å; P573-G575 PolarHBondContact O-N 3.43Å; G575-N736 WeakPolarHBondContact O-CA 3.27Å; G575-N736 VanDerWaalsContact O-CB 3.23Å; G575-N736 WeakPolarHBondContact O-CB 3.18Å; G575-P737 WeakPolarHBondContact O-CD 3.3Å
576	R	98.9	Very high	98.9	Very high	66 Å²	66	20.4 Å²	20.4	25%	0.249	10%	0.1	C	C	.	.			trans	-83.1	154	173.5	-52.6	-60.5	-176.2	79.8	-2.7	111.1	L571 T572 Y578 C733 T735	L571-R576 CarbonylContact C-O 3.57Å; L571-R576 WeakPolarHBondContact CA-O 3.29Å; L571-R576 WeakPolarHBondContact CB-O 3.45Å; T572-R576 HydrophobicContact CG2-CB 3.94Å; T572-R576 PolarHBondContact N-O 3.5Å; T572-R576 WeakPolarHBondContact OG1-CB 3.39Å; T572-R576 PolarHBondContact OG1-N 3.14Å; R576-Y578 PolarHBondContact O-N 2.76Å; R576-Y578 VanDerWaalsContact O-N 3.11Å; R576-C733 WeakPolarHBondContact CB-O 3.46Å; R576-C733 WeakPolarHBondContact CD-O 3.46Å; R576-C733 VanDerWaalsContact CG-O 3.28Å; R576-C733 WeakPolarHBondContact CG-O 3.43Å; R576-C733 PolarHBondContact NH1-O 3.49Å; R576-T735 CarbonylContact C-O 3.53Å; R576-T735 WeakPolarHBondContact CA-O 3.4Å
577	V	98.9	Very high	98.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	89.6	179	-172.6	0	0	0	0	109.7	H569 L571 A579 W727 M731 N732 T735 P737	H569-V577 HydrophobicContact CB-CG1 4.46Å; L571-V577 HydrophobicContact CD2-CG2 4.14Å; V577-A579 VanDerWaalsContact C-N 3.32Å; V577-W727 PolarHBondContact O-NE1 2.99Å; V577-W727 VanDerWaalsContact O-NE1 3.15Å; V577-M731 HydrophobicContact CB-CB 4.15Å; V577-M731 HydrophobicContact CB-CG 4.21Å; V577-M731 HydrophobicContact CG1-CB 4.35Å; V577-M731 HydrophobicContact CG1-CG 3.85Å; V577-M731 HydrophobicContact CG2-CB 4.18Å; V577-M731 HydrophobicContact CG2-CG 4.43Å; V577-N732 CarbonylContact O-C 3.56Å; V577-N732 WeakPolarHBondContact O-CA 3.47Å; V577-T735 PolarHBondContact N-O 3.07Å; V577-P737 HydrophobicContact CG2-CB 3.86Å; V577-P737 HydrophobicContact CG2-CG 4.24Å
578	Y	98.9	Very high	98.8	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	-41.1	175.6	-173.2	-91.6	0	0	0	111	M570 T572 R576 H602 R605 W606 W727	M570-Y578 HydrophobicContact CE-CD1 4.23Å; M570-Y578 PolarHBondContact O-N 3.11Å; T572-Y578 HydrophobicContact CG2-CD2 4.24Å; R576-Y578 PolarHBondContact O-N 2.76Å; R576-Y578 VanDerWaalsContact O-N 3.11Å; Y578-H602 AromaticContact CD1-CE1 3.57Å; Y578-H602 AromaticContact CD2-CE1 3.9Å; Y578-H602 AromaticContact CE1-CE1 3.12Å; Y578-H602 WeakPolarHBondContact CE1-CE1 3.48Å; Y578-H602 AromaticContact CE1-ND1 3.43Å; Y578-H602 WeakPolarHBondContact CE1-ND1 3.46Å; Y578-H602 AromaticContact CE1-NE2 3.78Å; Y578-H602 WeakPolarHBondContact CE1-O 3.12Å; Y578-H602 AromaticContact CE2-CE1 3.52Å; Y578-H602 AromaticContact CE2-NE2 3.39Å; Y578-H602 WeakPolarHBondContact CE2-NE2 3.45Å; Y578-H602 AromaticContact CG-CE1 3.95Å; Y578-H602 AromaticContact CZ-CD2 3.86Å; Y578-H602 AromaticContact CZ-CE1 3.11Å; Y578-H602 AromaticContact CZ-ND1 3.63Å; Y578-H602 AromaticContact CZ-NE2 3.23Å; Y578-H602 PolarHBondContact O-CE1 2.83Å; Y578-H602 PolarHBondContact OH-NE2 2.89Å; Y578-H602 PolarHBondContact OH-O 2.85Å; Y578-R605 PolarHBondContact OH-NH2 2.78Å; Y578-R605 VanDerWaalsContact OH-NH2 3.1Å; Y578-W606 HydrophobicContact CD1-CB 4Å; Y578-W606 HydrophobicContact CD1-CD2 4.07Å; Y578-W606 HydrophobicContact CD1-CE3 4.36Å; Y578-W606 AromaticContact CD1-CG 3.9Å; Y578-W606 HydrophobicContact CD1-CG 3.9Å; Y578-W606 HydrophobicContact CD2-CD2 4.34Å; Y578-W606 AromaticContact CD2-CE3 3.91Å; Y578-W606 HydrophobicContact CD2-CE3 3.91Å; Y578-W606 HydrophobicContact CD2-CZ3 4.18Å; Y578-W606 HydrophobicContact CE1-CB 3.38Å; Y578-W606 HydrophobicContact CE1-CD2 4.05Å; Y578-W606 HydrophobicContact CE1-CE3 4.15Å; Y578-W606 AromaticContact CE1-CG 3.75Å; Y578-W606 HydrophobicContact CE1-CG 3.75Å; Y578-W606 HydrophobicContact CE2-CD2 4.31Å; Y578-W606 AromaticContact CE2-CE3 3.65Å; Y578-W606 HydrophobicContact CE2-CE3 3.65Å; Y578-W606 HydrophobicContact CE2-CZ3 4.14Å; Y578-W606 HydrophobicContact CG-CD2 4.21Å; Y578-W606 HydrophobicContact CG-CE3 4.25Å; Y578-W606 AromaticContact CZ-CE3 3.78Å; Y578-W727 WeakPolarHBondContact O-CZ2 3.35Å; Y578-W727 PolarHBondContact O-NE1 2.93Å
579	A	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	155.7	178.8	0	0	0	0	0	112.9	H569 M570 V577 L581 D603	H569-A579 CarbonylContact C-O 3.55Å; H569-A579 VanDerWaalsContact CA-O 3.27Å; H569-A579 WeakPolarHBondContact CA-O 3.33Å; M570-A579 HydrophobicContact CB-CB 4.27Å; M570-A579 HydrophobicContact CE-CB 3.64Å; M570-A579 PolarHBondContact N-O 2.97Å; M570-A579 PolarHBondContact O-N 3Å; M570-A579 VanDerWaalsContact O-N 3.15Å; V577-A579 VanDerWaalsContact C-N 3.32Å; A579-L581 HydrophobicContact CB-CD1 3.47Å; A579-L581 VanDerWaalsContact CB-CD1 3.47Å; A579-D603 VanDerWaalsContact CB-OD1 3.31Å; A579-D603 WeakPolarHBondContact CB-OD1 3.24Å
580	E	98.9	Very high	98.8	Very high	38 Å²	38	28.5 Å²	28.5	18%	0.178	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	163.7	179.4	174.3	76.7	0	0	109.2	I567 H569 W727 M731	I567-E580 HydrophobicContact CG2-CG 3.79Å; H569-E580 IonicContact CD2-OE2 3.49Å; H569-E580 IonicContact CE1-OE2 3.19Å; H569-E580 IonicContact NE2-OE2 2.76Å; H569-E580 PolarHBondContact NE2-OE2 3.42Å; E580-W727 HydrophobicContact CB-CB 4.03Å; E580-W727 HydrophobicContact CB-CG 4.44Å; E580-M731 HydrophobicContact CB-CE 3.89Å; E580-M731 HydrophobicContact CG-CE 4.22Å; E580-M731 WeakPolarHBondContact OE1-CE 3.46Å; E580-M731 VanDerWaalsContact OE2-CE 3.29Å; E580-M731 WeakPolarHBondContact OE2-CE 3.11Å
581	L	98.8	Very high	98.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.8	179.5	-63.6	92.7	0	0	0	111.3	F540 F555 S568 M570 A579 L593 I594	F540-L581 HydrophobicContact CD2-CD2 4.46Å; F540-L581 HydrophobicContact CE2-CD2 4.18Å; F555-L581 HydrophobicContact CE1-CB 4.08Å; F555-L581 HydrophobicContact CE1-CD1 3.88Å; F555-L581 HydrophobicContact CZ-CB 4.09Å; F555-L581 HydrophobicContact CZ-CD1 4.15Å; F555-L581 HydrophobicContact CZ-CD2 4.47Å; F555-L581 HydrophobicContact CZ-CG 4.47Å; S568-L581 PolarHBondContact N-O 3.34Å; S568-L581 PolarHBondContact O-N 3.45Å; S568-L581 VanDerWaalsContact O-O 3.08Å; M570-L581 HydrophobicContact CE-CD1 3.76Å; M570-L581 HydrophobicContact CG-CD1 4.05Å; M570-L581 HydrophobicContact SD-CD1 4.37Å; A579-L581 HydrophobicContact CB-CD1 3.47Å; A579-L581 VanDerWaalsContact CB-CD1 3.47Å; L581-L593 HydrophobicContact CD2-CB 4.17Å; L581-L593 HydrophobicContact CD2-CD1 4.39Å; L581-I594 VanDerWaalsContact CA-O 3.29Å; L581-I594 WeakPolarHBondContact CA-O 3.43Å
582	T	98.9	Very high	98.8	Very high	21 Å²	21	28.7 Å²	28.7	13%	0.129	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.9	162.8	-62.3	0	0	0	0	108.7	T565 N566 I567 L593 I594	T565-T582 HydrophobicContact CG2-CG2 3.11Å; N566-T582 WeakPolarHBondContact O-CA 3.37Å; I567-T582 HydrophobicContact CD1-CG2 4.45Å; I567-T582 VanDerWaalsContact CD1-OG1 3.28Å; I567-T582 WeakPolarHBondContact CD1-OG1 3.27Å; T582-L593 WeakPolarHBondContact O-CA 3.4Å; T582-I594 PolarHBondContact N-O 3.25Å; T582-I594 PolarHBondContact O-N 3.19Å
583	V	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116	178.4	-176.4	0	0	0	0	108.2	L551 F555 P560 T565 N566 F591 L593	L551-V583 HydrophobicContact CD1-CG1 4.36Å; F555-V583 HydrophobicContact CD1-CG2 4.5Å; F555-V583 HydrophobicContact CD2-CG2 4.08Å; F555-V583 HydrophobicContact CE1-CG2 4.17Å; F555-V583 HydrophobicContact CE2-CG2 3.71Å; F555-V583 HydrophobicContact CG-CG2 4.47Å; F555-V583 HydrophobicContact CZ-CG2 3.78Å; P560-V583 HydrophobicContact CG-CB 4.35Å; P560-V583 HydrophobicContact CG-CG1 4Å; P560-V583 WeakPolarHBondContact CG-O 3.26Å; T565-V583 CarbonylContact C-O 3.5Å; T565-V583 WeakPolarHBondContact CA-O 3.49Å; T565-V583 WeakPolarHBondContact CG2-O 3.32Å; N566-V583 PolarHBondContact N-O 2.72Å; N566-V583 PolarHBondContact O-N 2.65Å; V583-F591 HydrophobicContact CG1-CD1 3.95Å; V583-L593 HydrophobicContact CB-CD2 4.04Å; V583-L593 HydrophobicContact CG1-CD2 3.73Å; V583-L593 HydrophobicContact CG2-CD2 3.91Å
584	S	98.9	Very high	98.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.2	179.7	-167.8	0	0	0	0	110.6	T565 Q586 F591 L592 T659	T565-S584 PolarHBondContact OG1-OG 3.09Å; T565-S584 VanDerWaalsContact OG1-OG 3.05Å; S584-Q586 PolarHBondContact O-N 2.95Å; S584-F591 CarbonylContact O-C 3.57Å; S584-F591 VanDerWaalsContact O-CA 3.23Å; S584-F591 WeakPolarHBondContact O-CA 3.33Å; S584-L592 WeakPolarHBondContact CB-O 3.49Å; S584-L592 PolarHBondContact N-O 3.06Å; S584-L592 PolarHBondContact O-N 3.35Å; S584-T659 WeakPolarHBondContact OG-CB 3.26Å; S584-T659 VanDerWaalsContact OG-CG2 3.29Å; S584-T659 WeakPolarHBondContact OG-CG2 3.09Å
585	H	98.9	Very high	98.8	Very high	10 Å²	10	20.6 Å²	20.6	5%	0.046	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	96.3	-179.6	-168.6	173.1	0	0	0	109.2	P560 V562 G563 F564 S587 G589 E590 F591	P560-H585 HydrophobicContact CG-CB 4.12Å; P560-H585 PolarHBondContact O-ND1 2.97Å; V562-H585 VanDerWaalsContact CG2-CE1 3.47Å; V562-H585 WeakPolarHBondContact CG2-CE1 3.1Å; V562-H585 WeakPolarHBondContact CG2-NE2 3.39Å; V562-H585 PolarHBondContact N-ND1 3.26Å; G563-H585 PolarHBondContact N-O 2.67Å; F564-H585 PolarHBondContact O-N 3.02Å; H585-S587 PolarHBondContact CD2-O 3.03Å; H585-S587 PolarHBondContact NE2-O 3.19Å; H585-S587 VanDerWaalsContact NE2-O 3.1Å; H585-G589 PolarHBondContact NE2-N 3.3Å; H585-E590 PolarHBondContact CD2-O 2.93Å; H585-F591 HydrophobicContact CB-CD1 3.81Å; H585-F591 HydrophobicContact CB-CE1 3.54Å; H585-F591 HydrophobicContact CB-CZ 4.46Å; H585-F591 AromaticContact CD2-CE1 3.55Å; H585-F591 AromaticContact CD2-CZ 3.64Å; H585-F591 AromaticContact CE1-CE1 3.93Å; H585-F591 AromaticContact CE1-CZ 3.63Å; H585-F591 AromaticContact CG-CD1 3.95Å; H585-F591 AromaticContact CG-CE1 3.3Å; H585-F591 AromaticContact CG-CZ 3.76Å; H585-F591 AromaticContact ND1-CE1 3.56Å; H585-F591 AromaticContact ND1-CZ 3.74Å; H585-F591 AromaticContact NE2-CE1 3.96Å; H585-F591 AromaticContact NE2-CZ 3.58Å
586	Q	98.6	Very high	98.7	Very high	54 Å²	54	22.1 Å²	22.1	25%	0.252	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-46.7	-168.5	-62	-176.2	-65.4	0	0	112.1	S584 E590 L592	S584-Q586 PolarHBondContact O-N 2.95Å; Q586-E590 PolarHBondContact N-O 3.06Å; Q586-L592 HydrophobicContact CG-CB 4.19Å
587	S	98.6	Very high	98.7	Very high	42 Å²	42	20.1 Å²	20.1	29%	0.294	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	161.3	175.9	84.3	0	0	0	0	108.9	H585 G589 E590	H585-S587 PolarHBondContact CD2-O 3.03Å; H585-S587 PolarHBondContact NE2-O 3.19Å; H585-S587 VanDerWaalsContact NE2-O 3.1Å; S587-G589 PolarHBondContact O-N 2.63Å; S587-E590 PolarHBondContact O-N 3.39Å; S587-E590 WeakPolarHBondContact OG-CB 3.15Å; S587-E590 PolarHBondContact OG-OE2 3.49Å
588	P	98.6	Very high	98.7	Very high	111 Å²	111	22.2 Å²	22.2	72%	0.721	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	111.3	-176.6	-24.7	32.9	0	0	0	113.1	V562	V562-P588 HydrophobicContact CG2-CB 4.29Å; V562-P588 HydrophobicContact CG2-CG 4.04Å
589	G	97	Very high	98.6	Very high	14 Å²	14	22.5 Å²	22.5	14%	0.144	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	9.7	-179.3	0	0	0	0	0	114.8	K543 S547 H585 S587	K543-G589 WeakPolarHBondContact CA-O 3.09Å; S547-G589 WeakPolarHBondContact CB-O 3.41Å; S547-G589 WeakPolarHBondContact OG-CA 3.32Å; S547-G589 PolarHBondContact OG-O 2.93Å; H585-G589 PolarHBondContact NE2-N 3.3Å; S587-G589 PolarHBondContact O-N 2.63Å
590	E	98.8	Very high	98.6	Very high	58 Å²	58	23 Å²	23	27%	0.271	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.7	175.9	-175.5	174.7	-169.3	0	0	111.2	N541 I542 K543 H585 Q586 S587	N541-E590 PolarHBondContact ND2-OE1 2.65Å; I542-E590 WeakPolarHBondContact O-CA 3.45Å; K543-E590 HydrophobicContact CB-CB 4.3Å; K543-E590 HydrophobicContact CB-CG 4.21Å; H585-E590 PolarHBondContact CD2-O 2.93Å; Q586-E590 PolarHBondContact N-O 3.06Å; S587-E590 PolarHBondContact O-N 3.39Å; S587-E590 WeakPolarHBondContact OG-CB 3.15Å; S587-E590 PolarHBondContact OG-OE2 3.49Å
591	F	98.9	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.9	-172.5	-60.6	-90.1	0	0	0	111.5	N541 I542 I548 L551 I559 V583 S584 H585 L593	N541-F591 CarbonylContact C-O 3.51Å; N541-F591 WeakPolarHBondContact CA-O 3.42Å; I542-F591 PolarHBondContact N-O 3.15Å; I542-F591 PolarHBondContact O-N 3.04Å; I548-F591 HydrophobicContact CG1-CE2 3.89Å; I548-F591 HydrophobicContact CG1-CZ 3.88Å; L551-F591 HydrophobicContact CD1-CB 3.74Å; L551-F591 HydrophobicContact CD1-CD1 3.75Å; L551-F591 HydrophobicContact CD1-CD2 3.54Å; L551-F591 HydrophobicContact CD1-CE1 4.23Å; L551-F591 HydrophobicContact CD1-CE2 4.05Å; L551-F591 HydrophobicContact CD1-CG 3.37Å; L551-F591 HydrophobicContact CD1-CZ 4.37Å; I559-F591 HydrophobicContact CG2-CE1 3.42Å; I559-F591 VanDerWaalsContact CG2-CE1 3.42Å; I559-F591 HydrophobicContact CG2-CZ 3.57Å; V583-F591 HydrophobicContact CG1-CD1 3.95Å; S584-F591 CarbonylContact O-C 3.57Å; S584-F591 VanDerWaalsContact O-CA 3.23Å; S584-F591 WeakPolarHBondContact O-CA 3.33Å; H585-F591 HydrophobicContact CB-CD1 3.81Å; H585-F591 HydrophobicContact CB-CE1 3.54Å; H585-F591 HydrophobicContact CB-CZ 4.46Å; H585-F591 AromaticContact CD2-CE1 3.55Å; H585-F591 AromaticContact CD2-CZ 3.64Å; H585-F591 AromaticContact CE1-CE1 3.93Å; H585-F591 AromaticContact CE1-CZ 3.63Å; H585-F591 AromaticContact CG-CD1 3.95Å; H585-F591 AromaticContact CG-CE1 3.3Å; H585-F591 AromaticContact CG-CZ 3.76Å; H585-F591 AromaticContact ND1-CE1 3.56Å; H585-F591 AromaticContact ND1-CZ 3.74Å; H585-F591 AromaticContact NE2-CE1 3.96Å; H585-F591 AromaticContact NE2-CZ 3.58Å; F591-L593 HydrophobicContact CB-CD2 4.36Å
592	L	98.9	Very high	98.7	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118	163.7	175.5	64.6	0	0	0	108.2	K539 F540 S584 Q586 I594 I623 Y685	K539-L592 HydrophobicContact CB-CD1 4.47Å; F540-L592 CarbonylContact O-C 3.48Å; F540-L592 WeakPolarHBondContact O-CA 3.3Å; S584-L592 WeakPolarHBondContact CB-O 3.49Å; S584-L592 PolarHBondContact N-O 3.06Å; S584-L592 PolarHBondContact O-N 3.35Å; Q586-L592 HydrophobicContact CG-CB 4.19Å; L592-I594 HydrophobicContact CD1-CD1 3.75Å; L592-I594 HydrophobicContact CD2-CD1 3.92Å; L592-I594 HydrophobicContact CG-CD1 3.59Å; L592-I594 HydrophobicContact CG-CG1 4.22Å; L592-I623 HydrophobicContact CD1-CD1 4.01Å; L592-Y685 HydrophobicContact CD2-CD1 4.21Å; L592-Y685 HydrophobicContact CD2-CG 4.4Å
593	L	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.6	174.5	-56.3	-164.8	0	0	0	110.1	K539 F540 I542 L551 F555 L581 T582 V583 F591 I607	K539-L593 WeakPolarHBondContact CA-O 3.35Å; F540-L593 HydrophobicContact CB-CB 4.25Å; F540-L593 HydrophobicContact CD2-CB 3.96Å; F540-L593 PolarHBondContact N-O 2.89Å; F540-L593 PolarHBondContact O-N 2.93Å; I542-L593 HydrophobicContact CD1-CD1 3.45Å; I542-L593 VanDerWaalsContact CD1-CD1 3.45Å; I542-L593 HydrophobicContact CD1-CG 3.99Å; I542-L593 HydrophobicContact CG1-CD1 4.48Å; L551-L593 HydrophobicContact CD1-CD2 4.28Å; L551-L593 HydrophobicContact CD2-CD1 4.2Å; F555-L593 HydrophobicContact CE2-CD1 4.08Å; F555-L593 HydrophobicContact CE2-CD2 4.3Å; F555-L593 HydrophobicContact CZ-CD1 4.12Å; L581-L593 HydrophobicContact CD2-CB 4.17Å; L581-L593 HydrophobicContact CD2-CD1 4.39Å; T582-L593 WeakPolarHBondContact O-CA 3.4Å; V583-L593 HydrophobicContact CB-CD2 4.04Å; V583-L593 HydrophobicContact CG1-CD2 3.73Å; V583-L593 HydrophobicContact CG2-CD2 3.91Å; F591-L593 HydrophobicContact CB-CD2 4.36Å; L593-I607 HydrophobicContact CD1-CD1 3.94Å
594	I	98.9	Very high	98.7	Very high	6 Å²	6	22 Å²	22	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.4	-178.4	-48.4	-63.5	0	0	0	110	F537 G538 K539 L581 T582 L592 Y685	F537-I594 HydrophobicContact CB-CG2 3.75Å; F537-I594 HydrophobicContact CD1-CG2 4.44Å; F537-I594 HydrophobicContact CD2-CG2 3.69Å; F537-I594 HydrophobicContact CE2-CG2 4.35Å; F537-I594 HydrophobicContact CG-CG2 3.75Å; G538-I594 WeakPolarHBondContact O-CA 3.44Å; K539-I594 HydrophobicContact CB-CD1 4.1Å; K539-I594 HydrophobicContact CG-CD1 4.04Å; L581-I594 VanDerWaalsContact CA-O 3.29Å; L581-I594 WeakPolarHBondContact CA-O 3.43Å; T582-I594 PolarHBondContact N-O 3.25Å; T582-I594 PolarHBondContact O-N 3.19Å; L592-I594 HydrophobicContact CD1-CD1 3.75Å; L592-I594 HydrophobicContact CD2-CD1 3.92Å; L592-I594 HydrophobicContact CG-CD1 3.59Å; L592-I594 HydrophobicContact CG-CG1 4.22Å; I594-Y685 HydrophobicContact CD1-CD1 4.18Å; I594-Y685 HydrophobicContact CD1-CE1 3.39Å; I594-Y685 HydrophobicContact CG1-CE1 3.91Å
595	T	98.9	Very high	98.7	Very high	8 Å²	8	22.2 Å²	22.2	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	173.7	178	-169.6	0	0	0	0	111.4	F537 G538 F540 D603	F537-T595 CarbonylContact C-O 3.49Å; F537-T595 WeakPolarHBondContact CA-O 3.33Å; F537-T595 WeakPolarHBondContact CB-O 3.4Å; F537-T595 WeakPolarHBondContact CD1-O 3.15Å; G538-T595 PolarHBondContact N-O 3.26Å; G538-T595 PolarHBondContact O-N 3.42Å; F540-T595 HydrophobicContact CE2-CG2 3.89Å; F540-T595 HydrophobicContact CZ-CG2 3.8Å; T595-D603 VanDerWaalsContact CB-OD2 3.28Å; T595-D603 WeakPolarHBondContact CB-OD2 3.31Å; T595-D603 HydrophobicContact CG2-CB 4.43Å; T595-D603 PolarHBondContact OG1-OD2 2.95Å
596	G	98.3	Very high	98.7	Very high	32 Å²	32	22.8 Å²	22.8	33%	0.33	15%	0.149	S	C	.	.			trans	-65.1	154.3	174.9	0	0	0	0	0	112.9	G598 S599 E600	G596-G598 VanDerWaalsContact C-N 3.33Å; G596-G598 PolarHBondContact O-N 3.25Å; G596-S599 PolarHBondContact O-N 2.66Å; G596-S599 VanDerWaalsContact O-N 3.14Å; G596-E600 PolarHBondContact O-N 2.89Å
597	S	98.6	Very high	98.7	Very high	24 Å²	24	20.2 Å²	20.2	17%	0.168	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-59.9	-41.5	179.9	60	0	0	0	0	112.8	P536 S599	P536-S597 WeakPolarHBondContact O-CA 3.49Å; P536-S597 WeakPolarHBondContact O-CB 3.48Å; S597-S599 PolarHBondContact O-N 3.09Å
598	G	97.5	Very high	98.7	Very high	43 Å²	43	20.9 Å²	20.9	44%	0.443	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-70.1	-16.9	177.7	0	0	0	0	0	114.6	G596	G596-G598 VanDerWaalsContact C-N 3.33Å; G596-G598 PolarHBondContact O-N 3.25Å
599	S	98.7	Very high	98.7	Very high	8 Å²	8	18.4 Å²	18.4	6%	0.056	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-104.6	0.1	-177.2	-50	0	0	0	0	113.1	G596 S597 L601 H602 D603 W727	G596-S599 PolarHBondContact O-N 2.66Å; G596-S599 VanDerWaalsContact O-N 3.14Å; S597-S599 PolarHBondContact O-N 3.09Å; S599-L601 PolarHBondContact O-N 2.99Å; S599-H602 PolarHBondContact O-N 3.48Å; S599-D603 VanDerWaalsContact O-CB 3.29Å; S599-D603 WeakPolarHBondContact O-CB 3.49Å; S599-D603 PolarHBondContact O-N 2.93Å; S599-W727 WeakPolarHBondContact OG-CZ3 3.28Å
600	E	98.9	Very high	98.8	Very high	11 Å²	11	19.1 Å²	19.1	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-50.9	-66.4	-171.8	-179.7	-166.2	164.6	0	0	112.9	R470 F540 G596 H602 D603 L604 N622 T624	R470-E600 IonicContact CZ-OE2 2.79Å; R470-E600 IonicContact NH1-OE2 2.74Å; R470-E600 PolarHBondContact NH1-OE2 2.95Å; R470-E600 VanDerWaalsContact NH1-OE2 3.11Å; R470-E600 IonicContact NH2-OE1 2.77Å; R470-E600 PolarHBondContact NH2-OE1 3.39Å; R470-E600 IonicContact NH2-OE2 3.4Å; R470-E600 PolarHBondContact NH2-OE2 3.28Å; F540-E600 HydrophobicContact CE1-CG 3.99Å; F540-E600 HydrophobicContact CZ-CG 4.27Å; F540-E600 WeakPolarHBondContact CZ-O 3.24Å; G596-E600 PolarHBondContact O-N 2.89Å; E600-H602 VanDerWaalsContact C-N 3.35Å; E600-D603 PolarHBondContact O-N 3.46Å; E600-L604 WeakPolarHBondContact O-CB 3.22Å; E600-L604 PolarHBondContact O-N 3.37Å; E600-N622 PolarHBondContact OE1-ND2 2.76Å; E600-N622 PolarHBondContact OE1-OD1 3.44Å; E600-T624 WeakPolarHBondContact OE1-CB 3.44Å; E600-T624 PolarHBondContact OE1-OG1 3.19Å
601	L	98.9	Very high	98.8	Very high	27 Å²	27	16.8 Å²	16.8	14%	0.141	10%	0.104	C	C	.	.	H	α-helix	trans	-79.4	-22.1	-175.5	-62.3	-179.2	0	0	0	112.6	N430 S599 L604 R605	N430-L601 HydrophobicContact CB-CB 3.55Å; N430-L601 HydrophobicContact CB-CD1 4.18Å; S599-L601 PolarHBondContact O-N 2.99Å; L601-L604 HydrophobicContact CD2-CD2 3.94Å; L601-R605 VanDerWaalsContact O-CB 3.29Å; L601-R605 WeakPolarHBondContact O-CB 3.23Å; L601-R605 PolarHBondContact O-N 2.69Å; L601-R605 VanDerWaalsContact O-N 3.09Å
602	H	98.9	Very high	98.7	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.032	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-47.1	170.1	168.3	-86.2	0	0	0	111	I425 D428 Y578 S599 E600 R605 W727	I425-H602 HydrophobicContact CD1-CB 3.87Å; D428-H602 IonicContact OD2-CD2 3.7Å; D428-H602 PolarHBondContact OD2-CD2 2.92Å; Y578-H602 AromaticContact CD1-CE1 3.57Å; Y578-H602 AromaticContact CD2-CE1 3.9Å; Y578-H602 AromaticContact CE1-CE1 3.12Å; Y578-H602 WeakPolarHBondContact CE1-CE1 3.48Å; Y578-H602 AromaticContact CE1-ND1 3.43Å; Y578-H602 WeakPolarHBondContact CE1-ND1 3.46Å; Y578-H602 AromaticContact CE1-NE2 3.78Å; Y578-H602 WeakPolarHBondContact CE1-O 3.12Å; Y578-H602 AromaticContact CE2-CE1 3.52Å; Y578-H602 AromaticContact CE2-NE2 3.39Å; Y578-H602 WeakPolarHBondContact CE2-NE2 3.45Å; Y578-H602 AromaticContact CG-CE1 3.95Å; Y578-H602 AromaticContact CZ-CD2 3.86Å; Y578-H602 AromaticContact CZ-CE1 3.11Å; Y578-H602 AromaticContact CZ-ND1 3.63Å; Y578-H602 AromaticContact CZ-NE2 3.23Å; Y578-H602 PolarHBondContact O-CE1 2.83Å; Y578-H602 PolarHBondContact OH-NE2 2.89Å; Y578-H602 PolarHBondContact OH-O 2.85Å; S599-H602 PolarHBondContact O-N 3.48Å; E600-H602 VanDerWaalsContact C-N 3.35Å; H602-R605 PolarHBondContact CD2-NH2 2.77Å; H602-W727 AromaticContact CE1-CZ2 3.95Å
603	D	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-74.9	-44.3	-178.9	-66	-1.3	0	0	0	111.2	F540 M570 A579 T595 S599 E600 R605 W606 I607	F540-D603 HydrophobicContact CE2-CB 4.27Å; M570-D603 HydrophobicContact CE-CB 3.98Å; A579-D603 VanDerWaalsContact CB-OD1 3.31Å; A579-D603 WeakPolarHBondContact CB-OD1 3.24Å; T595-D603 VanDerWaalsContact CB-OD2 3.28Å; T595-D603 WeakPolarHBondContact CB-OD2 3.31Å; T595-D603 HydrophobicContact CG2-CB 4.43Å; T595-D603 PolarHBondContact OG1-OD2 2.95Å; S599-D603 VanDerWaalsContact O-CB 3.29Å; S599-D603 WeakPolarHBondContact O-CB 3.49Å; S599-D603 PolarHBondContact O-N 2.93Å; E600-D603 PolarHBondContact O-N 3.46Å; D603-R605 VanDerWaalsContact C-N 3.28Å; D603-R605 PolarHBondContact O-N 2.81Å; D603-W606 WeakPolarHBondContact O-CB 3.4Å; D603-W606 PolarHBondContact O-N 3.38Å; D603-W606 VanDerWaalsContact O-N 3.11Å; D603-I607 WeakPolarHBondContact O-CG1 3.41Å; D603-I607 PolarHBondContact O-N 3.18Å; D603-I607 VanDerWaalsContact O-N 3.17Å
604	L	98.9	Very high	98.6	Very high	4 Å²	4	28 Å²	28	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-43.1	178.7	-179.1	61.7	0	0	0	111.7	F540 E600 L601 W606 I607 E608 I620 N622	F540-L604 HydrophobicContact CD1-CD1 4.16Å; F540-L604 HydrophobicContact CE1-CB 4.08Å; F540-L604 HydrophobicContact CE1-CD1 4.44Å; F540-L604 HydrophobicContact CG-CD1 4.4Å; F540-L604 HydrophobicContact CZ-CB 4.1Å; E600-L604 WeakPolarHBondContact O-CB 3.22Å; E600-L604 PolarHBondContact O-N 3.37Å; L601-L604 HydrophobicContact CD2-CD2 3.94Å; L604-W606 VanDerWaalsContact C-N 3.29Å; L604-W606 PolarHBondContact O-N 2.59Å; L604-I607 PolarHBondContact O-N 2.79Å; L604-E608 HydrophobicContact CD1-CG 4.07Å; L604-E608 HydrophobicContact CG-CG 4.25Å; L604-E608 WeakPolarHBondContact O-CG 3.34Å; L604-E608 PolarHBondContact O-N 2.69Å; L604-I620 HydrophobicContact CD1-CG2 3.71Å; L604-N622 HydrophobicContact CD2-CB 3.85Å
605	R	98.9	Very high	98.5	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-55.7	-43.5	177	-177.8	178	61.4	-134.3	-4.3	112.2	P384 Q386 D428 N430 Y578 L601 H602 D603 E609	P384-R605 VanDerWaalsContact O-CD 3.24Å; P384-R605 WeakPolarHBondContact O-CD 3.5Å; P384-R605 PolarHBondContact O-NH1 2.81Å; Q386-R605 HydrophobicContact CB-CB 3.9Å; Q386-R605 HydrophobicContact CB-CG 4.25Å; Q386-R605 HydrophobicContact CG-CB 3.87Å; D428-R605 IonicContact OD1-NH1 3.72Å; D428-R605 PolarHBondContact OD1-NH1 3.16Å; D428-R605 IonicContact OD2-CZ 2.95Å; D428-R605 VanDerWaalsContact OD2-CZ 3.27Å; D428-R605 IonicContact OD2-NH1 3.67Å; D428-R605 PolarHBondContact OD2-NH1 2.83Å; D428-R605 IonicContact OD2-NH2 2.77Å; D428-R605 PolarHBondContact OD2-NH2 3.41Å; N430-R605 PolarHBondContact OD1-NH1 3.45Å; Y578-R605 PolarHBondContact OH-NH2 2.78Å; Y578-R605 VanDerWaalsContact OH-NH2 3.1Å; L601-R605 VanDerWaalsContact O-CB 3.29Å; L601-R605 WeakPolarHBondContact O-CB 3.23Å; L601-R605 PolarHBondContact O-N 2.69Å; L601-R605 VanDerWaalsContact O-N 3.09Å; H602-R605 PolarHBondContact CD2-NH2 2.77Å; D603-R605 VanDerWaalsContact C-N 3.28Å; D603-R605 PolarHBondContact O-N 2.81Å; R605-E609 WeakPolarHBondContact O-CB 3.39Å; R605-E609 WeakPolarHBondContact O-CG 3.42Å; R605-E609 PolarHBondContact O-N 3.37Å
606	W	98.9	Very high	98.5	Very high	21 Å²	21	31.5 Å²	31.5	8%	0.08	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-42.4	179.8	-173.5	-90.1	0	0	0	112.1	M570 Y578 D603 L604 E610 I755	M570-W606 HydrophobicContact CE-CB 4.37Å; Y578-W606 HydrophobicContact CD1-CB 4Å; Y578-W606 HydrophobicContact CD1-CD2 4.07Å; Y578-W606 HydrophobicContact CD1-CE3 4.36Å; Y578-W606 AromaticContact CD1-CG 3.9Å; Y578-W606 HydrophobicContact CD1-CG 3.9Å; Y578-W606 HydrophobicContact CD2-CD2 4.34Å; Y578-W606 AromaticContact CD2-CE3 3.91Å; Y578-W606 HydrophobicContact CD2-CE3 3.91Å; Y578-W606 HydrophobicContact CD2-CZ3 4.18Å; Y578-W606 HydrophobicContact CE1-CB 3.38Å; Y578-W606 HydrophobicContact CE1-CD2 4.05Å; Y578-W606 HydrophobicContact CE1-CE3 4.15Å; Y578-W606 AromaticContact CE1-CG 3.75Å; Y578-W606 HydrophobicContact CE1-CG 3.75Å; Y578-W606 HydrophobicContact CE2-CD2 4.31Å; Y578-W606 AromaticContact CE2-CE3 3.65Å; Y578-W606 HydrophobicContact CE2-CE3 3.65Å; Y578-W606 HydrophobicContact CE2-CZ3 4.14Å; Y578-W606 HydrophobicContact CG-CD2 4.21Å; Y578-W606 HydrophobicContact CG-CE3 4.25Å; Y578-W606 AromaticContact CZ-CE3 3.78Å; D603-W606 WeakPolarHBondContact O-CB 3.4Å; D603-W606 PolarHBondContact O-N 3.38Å; D603-W606 VanDerWaalsContact O-N 3.11Å; L604-W606 VanDerWaalsContact C-N 3.29Å; L604-W606 PolarHBondContact O-N 2.59Å; W606-E610 WeakPolarHBondContact O-CB 3.06Å; W606-E610 PolarHBondContact O-N 3.4Å; W606-I755 HydrophobicContact CZ2-CG2 4.43Å
607	I	98.9	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-47.6	178.3	-60	165.8	0	0	0	110.4	F540 I542 L550 L554 M570 L593 D603 L604 E610 A611 I620	F540-I607 HydrophobicContact CD2-CD1 4Å; F540-I607 HydrophobicContact CE2-CD1 4.26Å; I542-I607 HydrophobicContact CD1-CG2 3.9Å; L550-I607 HydrophobicContact CD2-CG2 4.48Å; L554-I607 HydrophobicContact CD1-CB 4.31Å; L554-I607 HydrophobicContact CD1-CG1 4.16Å; L554-I607 HydrophobicContact CD1-CG2 3.96Å; M570-I607 HydrophobicContact CE-CD1 4.3Å; M570-I607 HydrophobicContact CE-CG1 3.99Å; M570-I607 HydrophobicContact SD-CD1 4.25Å; M570-I607 HydrophobicContact SD-CG1 3.64Å; L593-I607 HydrophobicContact CD1-CD1 3.94Å; D603-I607 WeakPolarHBondContact O-CG1 3.41Å; D603-I607 PolarHBondContact O-N 3.18Å; D603-I607 VanDerWaalsContact O-N 3.17Å; L604-I607 PolarHBondContact O-N 2.79Å; I607-E610 PolarHBondContact O-N 2.92Å; I607-A611 WeakPolarHBondContact O-CB 3.33Å; I607-A611 PolarHBondContact O-N 3.02Å; I607-I620 HydrophobicContact CG2-CD1 3.83Å
608	E	98.9	Very high	98.6	Very high	56 Å²	56	35 Å²	35	26%	0.262	21%	0.208	S	C	.	.	H	α-helix	trans	-64	-42.9	179	-71.9	175.8	160.3	0	0	111.9	Q386 L604 A611 V612 I620	Q386-E608 VanDerWaalsContact NE2-CD 3.33Å; Q386-E608 PolarHBondContact NE2-OE1 2.93Å; Q386-E608 PolarHBondContact NE2-OE2 3.4Å; L604-E608 HydrophobicContact CD1-CG 4.07Å; L604-E608 HydrophobicContact CG-CG 4.25Å; L604-E608 WeakPolarHBondContact O-CG 3.34Å; L604-E608 PolarHBondContact O-N 2.69Å; E608-A611 PolarHBondContact O-N 3.42Å; E608-V612 WeakPolarHBondContact O-CG2 3.02Å; E608-V612 PolarHBondContact O-N 3.16Å; E608-I620 HydrophobicContact CG-CD1 4.36Å
609	E	98.6	Very high	98.6	Very high	59 Å²	59	37.3 Å²	37.3	28%	0.276	21%	0.207	S	C	.	.	H	α-helix	trans	-62.4	-43.3	177.1	-81.8	-170.7	-159.9	0	0	112.3	R605 V612 K613	R605-E609 WeakPolarHBondContact O-CB 3.39Å; R605-E609 WeakPolarHBondContact O-CG 3.42Å; R605-E609 PolarHBondContact O-N 3.37Å; E609-V612 PolarHBondContact O-N 3.47Å; E609-K613 WeakPolarHBondContact O-CB 3.39Å; E609-K613 VanDerWaalsContact O-CG 3.22Å; E609-K613 WeakPolarHBondContact O-CG 3.24Å; E609-K613 PolarHBondContact O-N 2.61Å; E609-K613 IonicContact OE2-NZ 2.71Å; E609-K613 PolarHBondContact OE2-NZ 3.48Å
610	E	98.8	Very high	98.6	Very high	30 Å²	30	38.8 Å²	38.8	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-41.2	177.6	-179.4	52.9	-148.7	0	0	111.7	L550 H553 L554 W606 I607 V612 K613 G614 Y616 I755	L550-E610 HydrophobicContact CD1-CB 4.42Å; L550-E610 HydrophobicContact CD1-CG 3.96Å; H553-E610 IonicContact CD2-OE1 3.76Å; H553-E610 PolarHBondContact CD2-OE1 3.48Å; H553-E610 VanDerWaalsContact CD2-OE1 3.26Å; H553-E610 IonicContact NE2-OE1 2.79Å; L554-E610 HydrophobicContact CD2-CB 3.75Å; L554-E610 HydrophobicContact CD2-CG 3.72Å; L554-E610 HydrophobicContact CG-CB 4.39Å; L554-E610 HydrophobicContact CG-CG 4.04Å; W606-E610 WeakPolarHBondContact O-CB 3.06Å; W606-E610 PolarHBondContact O-N 3.4Å; I607-E610 PolarHBondContact O-N 2.92Å; E610-V612 PolarHBondContact O-N 3.31Å; E610-K613 PolarHBondContact O-N 2.61Å; E610-G614 PolarHBondContact O-N 3.22Å; E610-Y616 HydrophobicContact CG-CE2 4.28Å; E610-Y616 WeakPolarHBondContact O-CD2 3.42Å; E610-Y616 WeakPolarHBondContact OE1-CE2 3.43Å; E610-I755 HydrophobicContact CG-CD1 4.17Å
611	A	98.8	Very high	98.6	Very high	9 Å²	9	43.2 Å²	43.2	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-54.2	-44.2	174.7	0	0	0	0	0	111.3	L550 I607 E608 G615 Y616 V618 I620	L550-A611 HydrophobicContact CD1-CB 4.35Å; L550-A611 HydrophobicContact CD2-CB 4.01Å; I607-A611 WeakPolarHBondContact O-CB 3.33Å; I607-A611 PolarHBondContact O-N 3.02Å; E608-A611 PolarHBondContact O-N 3.42Å; A611-G615 PolarHBondContact O-N 3.09Å; A611-Y616 PolarHBondContact O-N 3.08Å; A611-V618 HydrophobicContact CB-CG2 4.02Å; A611-I620 HydrophobicContact CB-CD1 3.94Å
612	V	98.2	Very high	98.6	Very high	71 Å²	71	44.6 Å²	44.6	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-73.3	-45.2	178.2	175.5	0	0	0	0	112.3	R389 E608 E609 E610 G614 G615	R389-V612 VanDerWaalsContact CZ-CG1 3.42Å; E608-V612 WeakPolarHBondContact O-CG2 3.02Å; E608-V612 PolarHBondContact O-N 3.16Å; E609-V612 PolarHBondContact O-N 3.47Å; E610-V612 PolarHBondContact O-N 3.31Å; V612-G614 PolarHBondContact O-N 3.08Å; V612-G615 PolarHBondContact O-N 3.34Å
613	K	96.9	Very high	98.6	Very high	134 Å²	134	45.4 Å²	45.4	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-62.6	-41.7	-178.3	-75.9	169.2	-169.6	162.1	0	112	E609 E610	E609-K613 WeakPolarHBondContact O-CB 3.39Å; E609-K613 VanDerWaalsContact O-CG 3.22Å; E609-K613 WeakPolarHBondContact O-CG 3.24Å; E609-K613 PolarHBondContact O-N 2.61Å; E609-K613 IonicContact OE2-NZ 2.71Å; E609-K613 PolarHBondContact OE2-NZ 3.48Å; E610-K613 PolarHBondContact O-N 2.61Å
614	G	97.8	Very high	98.6	Very high	32 Å²	32	45.4 Å²	45.4	33%	0.33	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	2.2	178.7	0	0	0	0	0	115.1	E610 V612 Y616	E610-G614 PolarHBondContact O-N 3.22Å; V612-G614 PolarHBondContact O-N 3.08Å; G614-Y616 PolarHBondContact O-N 3.39Å
615	G	98.2	Very high	98.6	Very high	58 Å²	58	47.7 Å²	47.7	60%	0.598	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	44.6	178.3	0	0	0	0	0	113	A611 V612	A611-G615 PolarHBondContact O-N 3.09Å; V612-G615 PolarHBondContact O-N 3.34Å
616	Y	98.7	Very high	98.6	Very high	30 Å²	30	53.2 Å²	53.2	12%	0.118	28%	0.283	C	S	.	.			trans	-82.7	130.7	-179.1	-62.6	-91.7	0	0	0	111.1	D546 R549 L550 H553 E610 A611 G614 V618	D546-Y616 HydrophobicContact CB-CD1 4.15Å; R549-Y616 HydrophobicContact CB-CD1 4.37Å; R549-Y616 HydrophobicContact CB-CE1 4.22Å; R549-Y616 HydrophobicContact CG-CD1 4.43Å; R549-Y616 HydrophobicContact CG-CE1 3.92Å; R549-Y616 VanDerWaalsContact NH2-CD1 3.29Å; L550-Y616 HydrophobicContact CB-CD1 3.76Å; L550-Y616 HydrophobicContact CB-CE1 4.14Å; L550-Y616 HydrophobicContact CB-CG 4.02Å; L550-Y616 HydrophobicContact CD1-CD1 4.41Å; L550-Y616 HydrophobicContact CD1-CD2 3.79Å; L550-Y616 HydrophobicContact CD1-CE2 3.88Å; L550-Y616 HydrophobicContact CD1-CG 4.05Å; H553-Y616 PolarHBondContact CD2-OH 3.41Å; E610-Y616 HydrophobicContact CG-CE2 4.28Å; E610-Y616 WeakPolarHBondContact O-CD2 3.42Å; E610-Y616 WeakPolarHBondContact OE1-CE2 3.43Å; A611-Y616 PolarHBondContact O-N 3.08Å; G614-Y616 PolarHBondContact O-N 3.39Å; Y616-V618 PolarHBondContact O-N 2.95Å
617	D	98.5	Very high	98.6	Very high	103 Å²	103	53.7 Å²	53.7	55%	0.551	29%	0.287	S	S	*	.			trans	-84.3	88.9	173.9	-172.7	12.1	0	0	0	111.2	Q545 D546	Q545-D617 PolarHBondContact N-O 3.49Å; D546-D617 PolarHBondContact N-O 2.88Å; D546-D617 VanDerWaalsContact N-O 3.12Å; D546-D617 PolarHBondContact OD2-N 3.3Å
618	V	98.8	Very high	98.6	Very high	28 Å²	28	53.7 Å²	53.7	17%	0.17	29%	0.288	C	S	.	.			trans	-137.8	152.1	-177.1	-63.7	0	0	0	0	112.1	K543 D546 L550 A611 Y616 I620	K543-V618 WeakPolarHBondContact O-CA 3.49Å; D546-V618 HydrophobicContact CB-CG1 3.95Å; L550-V618 HydrophobicContact CB-CG1 4.44Å; L550-V618 HydrophobicContact CD2-CB 4.46Å; L550-V618 HydrophobicContact CD2-CG1 4.14Å; L550-V618 HydrophobicContact CD2-CG2 3.78Å; A611-V618 HydrophobicContact CB-CG2 4.02Å; Y616-V618 PolarHBondContact O-N 2.95Å; V618-I620 HydrophobicContact CG2-CD1 4.05Å; V618-I620 HydrophobicContact CG2-CG1 4.06Å
619	E	98.8	Very high	98.6	Very high	91 Å²	91	51 Å²	51	43%	0.425	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.1	163.1	-71.8	179.9	-135.8	0	0	108.7	I542 K543 K621	I542-E619 WeakPolarHBondContact CA-O 3.35Å; K543-E619 VanDerWaalsContact CE-CD 3.45Å; K543-E619 WeakPolarHBondContact CE-OE2 3.5Å; K543-E619 HydrophobicContact CG-CB 4.02Å; K543-E619 PolarHBondContact N-O 2.87Å; K543-E619 IonicContact NZ-OE1 2.98Å; K543-E619 PolarHBondContact NZ-OE1 2.74Å; K543-E619 IonicContact NZ-OE2 2.83Å; K543-E619 PolarHBondContact NZ-OE2 2.55Å; K543-E619 PolarHBondContact O-N 3.14Å; E619-K621 IonicContact OE2-NZ 3.35Å
620	I	98.9	Very high	98.6	Very high	38 Å²	38	48.3 Å²	48.3	20%	0.195	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.9	174	-58.4	161.7	0	0	0	107.6	I542 L550 L604 I607 E608 A611 V618	I542-I620 HydrophobicContact CD1-CG1 4.41Å; I542-I620 HydrophobicContact CG1-CG1 4.18Å; I542-I620 HydrophobicContact CG1-CG2 4.21Å; I542-I620 HydrophobicContact CG2-CG1 4.33Å; L550-I620 HydrophobicContact CD2-CD1 4.45Å; L604-I620 HydrophobicContact CD1-CG2 3.71Å; I607-I620 HydrophobicContact CG2-CD1 3.83Å; E608-I620 HydrophobicContact CG-CD1 4.36Å; A611-I620 HydrophobicContact CB-CD1 3.94Å; V618-I620 HydrophobicContact CG2-CD1 4.05Å; V618-I620 HydrophobicContact CG2-CG1 4.06Å
621	K	98.8	Very high	98.6	Very high	104 Å²	104	47 Å²	47	45%	0.452	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.3	177.4	-62.7	-175.3	-176.5	-176.9	0	110.3	F540 N541 E619 I623	F540-K621 CarbonylContact C-O 3.55Å; F540-K621 VanDerWaalsContact CA-O 3.32Å; F540-K621 WeakPolarHBondContact CA-O 3.16Å; N541-K621 PolarHBondContact N-O 3.14Å; N541-K621 PolarHBondContact O-N 2.77Å; E619-K621 IonicContact OE2-NZ 3.35Å; K621-I623 HydrophobicContact CB-CG2 4.19Å; K621-I623 PolarHBondContact O-N 2.95Å
622	N	98.8	Very high	98.6	Very high	57 Å²	57	46.6 Å²	46.6	31%	0.305	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	108.6	168	-176.2	-1.1	0	0	0	109.5	K539 F540 E600 L604 T624	K539-N622 PolarHBondContact O-OD1 3.12Å; F540-N622 HydrophobicContact CD1-CB 4.3Å; E600-N622 PolarHBondContact OE1-ND2 2.76Å; E600-N622 PolarHBondContact OE1-OD1 3.44Å; L604-N622 HydrophobicContact CD2-CB 3.85Å; N622-T624 WeakPolarHBondContact OD1-CB 3.35Å; N622-T624 PolarHBondContact OD1-N 2.89Å; N622-T624 PolarHBondContact OD1-OG1 3.39Å
623	I	98.8	Very high	98.7	Very high	23 Å²	23	43.2 Å²	43.2	12%	0.118	23%	0.234	C	C	.	.			trans	-109.7	19.9	-178.6	60.8	170.7	0	0	0	111.6	K539 N541 L592 K621 D625 E626 L627	K539-I623 HydrophobicContact CB-CG1 4.08Å; K539-I623 WeakPolarHBondContact O-CG1 3.41Å; K539-I623 PolarHBondContact O-N 3.21Å; N541-I623 HydrophobicContact CB-CD1 4.07Å; L592-I623 HydrophobicContact CD1-CD1 4.01Å; K621-I623 HydrophobicContact CB-CG2 4.19Å; K621-I623 PolarHBondContact O-N 2.95Å; I623-D625 VanDerWaalsContact C-N 3.34Å; I623-D625 PolarHBondContact O-N 3.11Å; I623-E626 HydrophobicContact CB-CB 4.43Å; I623-E626 PolarHBondContact O-N 3.41Å; I623-L627 HydrophobicContact CD1-CD1 3.66Å; I623-L627 HydrophobicContact CD1-CG 4.39Å; I623-L627 HydrophobicContact CG1-CD1 4.27Å; I623-L627 PolarHBondContact O-N 2.69Å
624	T	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-49.1	-176.8	-65.3	0	0	0	0	112.7	R470 W490 F537 G538 K539 E600 N622 E626	R470-T624 VanDerWaalsContact NH2-CG2 3.29Å; W490-T624 HydrophobicContact CZ2-CG2 4.31Å; F537-T624 WeakPolarHBondContact O-CG2 3.45Å; G538-T624 WeakPolarHBondContact CA-OG1 3.35Å; K539-T624 PolarHBondContact N-OG1 3.37Å; K539-T624 PolarHBondContact NZ-O 3.41Å; K539-T624 PolarHBondContact O-N 2.89Å; E600-T624 WeakPolarHBondContact OE1-CB 3.44Å; E600-T624 PolarHBondContact OE1-OG1 3.19Å; N622-T624 WeakPolarHBondContact OD1-CB 3.35Å; N622-T624 PolarHBondContact OD1-N 2.89Å; N622-T624 PolarHBondContact OD1-OG1 3.39Å; T624-E626 VanDerWaalsContact C-N 3.32Å; T624-E626 PolarHBondContact O-N 3.12Å
625	D	98.7	Very high	98.8	Very high	53 Å²	53	38 Å²	38	28%	0.283	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.1	-174	-64.6	-22.3	0	0	0	113.5	R470 W490 I623 R688	R470-D625 IonicContact CZ-OD1 2.72Å; R470-D625 VanDerWaalsContact CZ-OD1 3.26Å; R470-D625 IonicContact NE-OD1 3.8Å; R470-D625 PolarHBondContact NE-OD1 3.41Å; R470-D625 IonicContact NE-OD2 2.88Å; R470-D625 IonicContact NH2-OD1 3.47Å; R470-D625 PolarHBondContact NH2-OD1 2.96Å; R470-D625 IonicContact NH2-OD2 3.66Å; W490-D625 WeakPolarHBondContact CZ2-OD1 3.46Å; I623-D625 VanDerWaalsContact C-N 3.34Å; I623-D625 PolarHBondContact O-N 3.11Å; D625-R688 VanDerWaalsContact O-CD 3.23Å; D625-R688 WeakPolarHBondContact O-CD 3.49Å
626	E	98.8	Very high	98.8	Very high	120 Å²	120	38.5 Å²	38.5	56%	0.561	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-26.2	179.8	-60.7	-179.6	-160.4	0	0	112	I623 T624 R688	I623-E626 HydrophobicContact CB-CB 4.43Å; I623-E626 PolarHBondContact O-N 3.41Å; T624-E626 VanDerWaalsContact C-N 3.32Å; T624-E626 PolarHBondContact O-N 3.12Å; E626-R688 PolarHBondContact O-N 2.92Å
627	L	98.9	Very high	98.8	Very high	31 Å²	31	37 Å²	37	16%	0.162	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.3	-173.7	-58	-178.9	0	0	0	112.7	K539 I623 H686	K539-L627 HydrophobicContact CD-CB 3.75Å; K539-L627 HydrophobicContact CD-CD1 4.24Å; K539-L627 VanDerWaalsContact CE-O 3.31Å; K539-L627 WeakPolarHBondContact CE-O 3.47Å; K539-L627 PolarHBondContact NZ-O 2.77Å; I623-L627 HydrophobicContact CD1-CD1 3.66Å; I623-L627 HydrophobicContact CD1-CG 4.39Å; I623-L627 HydrophobicContact CG1-CD1 4.27Å; I623-L627 PolarHBondContact O-N 2.69Å; L627-H686 CarbonylContact C-O 3.56Å; L627-H686 WeakPolarHBondContact CA-O 3.24Å; L627-H686 WeakPolarHBondContact CB-O 3.24Å; L627-H686 WeakPolarHBondContact CD2-O 3.35Å
628	G	98.9	Very high	98.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	160.9	158.9	0	0	0	0	0	111.2	S535 H686	S535-G628 WeakPolarHBondContact OG-CA 3.25Å; G628-H686 PolarHBondContact N-O 3.22Å; G628-H686 PolarHBondContact O-CE1 3.31Å; G628-H686 PolarHBondContact O-N 3.34Å; G628-H686 VanDerWaalsContact O-N 3.12Å; G628-H686 PolarHBondContact O-ND1 3.2Å
629	V	98.9	Very high	98.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	127.9	175.1	-169.1	0	0	0	0	109.6	L534 S535 K539 E683 L684 Y685 H686	L534-V629 CarbonylContact C-O 3.5Å; L534-V629 HydrophobicContact CB-CB 3.94Å; L534-V629 HydrophobicContact CB-CG1 3.93Å; L534-V629 PolarHBondContact N-O 3.03Å; S535-V629 PolarHBondContact N-O 3.39Å; S535-V629 PolarHBondContact OG-N 3.3Å; K539-V629 HydrophobicContact CD-CG2 4.38Å; V629-E683 HydrophobicContact CG1-CB 4.26Å; V629-L684 WeakPolarHBondContact CA-O 3.48Å; V629-Y685 HydrophobicContact CB-CE1 4.46Å; V629-Y685 HydrophobicContact CG1-CD1 4.23Å; V629-Y685 HydrophobicContact CG1-CD2 4.49Å; V629-Y685 HydrophobicContact CG1-CE1 3.99Å; V629-Y685 HydrophobicContact CG1-CE2 4.26Å; V629-Y685 HydrophobicContact CG1-CG 4.46Å; V629-Y685 HydrophobicContact CG2-CD1 3.53Å; V629-Y685 HydrophobicContact CG2-CE1 3.55Å; V629-Y685 HydrophobicContact CG2-CG 4.33Å; V629-H686 PolarHBondContact N-CE1 2.59Å
630	L	98.9	Very high	98.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.7	170.6	-72.7	173.7	0	0	0	109.7	L474 V531 E683 L684 L694 Y695 I698	L474-L630 HydrophobicContact CD1-CD2 3.71Å; L474-L630 HydrophobicContact CD1-CG 4.41Å; V531-L630 HydrophobicContact CG1-CD2 4.03Å; L630-E683 WeakPolarHBondContact O-CA 3.39Å; L630-L684 PolarHBondContact N-O 2.93Å; L630-L684 PolarHBondContact O-N 3.44Å; L630-L694 HydrophobicContact CD1-CB 4.38Å; L630-L694 HydrophobicContact CD1-CD2 4.06Å; L630-L694 HydrophobicContact CD1-CG 3.98Å; L630-Y695 HydrophobicContact CD2-CD2 4.4Å; L630-I698 HydrophobicContact CD1-CD1 4.18Å
631	G	98.9	Very high	98.8	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.7	166.8	0	0	0	0	0	109.9	V531 T532	V531-G631 WeakPolarHBondContact CA-O 3.42Å; T532-G631 PolarHBondContact N-O 3.29Å; T532-G631 PolarHBondContact O-N 2.92Å
632	V	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.2	172.5	-175.1	0	0	0	0	108.1	V529 G530 V531 A637 L641 G681 W682 L684 I698	V529-V632 HydrophobicContact CG2-CG1 3.66Å; G530-V632 WeakPolarHBondContact O-CA 3.27Å; V531-V632 HydrophobicContact CG2-CG2 4.38Å; V632-A637 HydrophobicContact CG1-CB 4.12Å; V632-L641 HydrophobicContact CB-CD1 4.28Å; V632-L641 HydrophobicContact CG1-CD1 4.35Å; V632-L641 HydrophobicContact CG1-CG 4.33Å; V632-L641 HydrophobicContact CG2-CD2 4.37Å; V632-G681 CarbonylContact O-C 3.54Å; V632-G681 WeakPolarHBondContact O-CA 3.37Å; V632-W682 PolarHBondContact N-O 3.47Å; V632-W682 PolarHBondContact O-N 2.95Å; V632-L684 HydrophobicContact CG2-CD1 4.18Å; V632-I698 HydrophobicContact CG2-CD1 4.14Å; V632-I698 HydrophobicContact CG2-CG2 4.09Å
633	A	98.9	Very high	98.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.5	-168.5	0	0	0	0	0	112.8	V525 V529 G530 S675 T677 L680	V525-A633 HydrophobicContact CG1-CB 4.27Å; V529-A633 CarbonylContact C-O 3.5Å; V529-A633 WeakPolarHBondContact CA-O 3.48Å; G530-A633 PolarHBondContact N-O 3.18Å; G530-A633 PolarHBondContact O-N 3.44Å; A633-S675 WeakPolarHBondContact CB-OG 3.38Å; A633-T677 HydrophobicContact CB-CG2 3.99Å; A633-L680 CarbonylContact C-O 3.58Å; A633-L680 WeakPolarHBondContact CA-O 3.27Å
634	G	98.7	Very high	98.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	131.9	165.4	180	0	0	0	0	0	112.1	V525 R528 Q636 A637 L680	V525-G634 WeakPolarHBondContact O-CA 3.45Å; R528-G634 CarbonylContact O-C 3.57Å; R528-G634 VanDerWaalsContact O-C 3.28Å; R528-G634 WeakPolarHBondContact O-CA 3.35Å; G634-Q636 PolarHBondContact O-N 3.38Å; G634-A637 VanDerWaalsContact O-CB 3.23Å; G634-A637 WeakPolarHBondContact O-CB 3.29Å; G634-A637 PolarHBondContact O-N 3.47Å; G634-L680 PolarHBondContact N-O 3.42Å
635	P	98.5	Very high	98.8	Very high	56 Å²	56	33.7 Å²	33.7	36%	0.364	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.7	-176.4	21.8	-34.3	0	0	0	114.2	V525 Q527 R528	V525-P635 VanDerWaalsContact O-CD 3.31Å; V525-P635 WeakPolarHBondContact O-CD 3.16Å; Q527-P635 VanDerWaalsContact C-CG 3.49Å; Q527-P635 WeakPolarHBondContact O-CG 3.33Å; R528-P635 WeakPolarHBondContact O-CD 3.31Å; R528-P635 WeakPolarHBondContact O-CG 3.42Å; R528-P635 VanDerWaalsContact O-N 3.13Å
636	Q	98.8	Very high	98.8	Very high	68 Å²	68	37.3 Å²	37.3	32%	0.318	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.1	179.7	-55.5	-58	-28.2	0	0	114.2	R528 V529 G634 R638 K639 V640 E705	R528-Q636 WeakPolarHBondContact O-CB 3.34Å; R528-Q636 PolarHBondContact O-N 2.92Å; V529-Q636 HydrophobicContact CB-CB 4.04Å; V529-Q636 HydrophobicContact CG1-CB 3.96Å; G634-Q636 PolarHBondContact O-N 3.38Å; Q636-R638 VanDerWaalsContact C-N 3.31Å; Q636-R638 PolarHBondContact O-N 2.93Å; Q636-K639 WeakPolarHBondContact O-CB 3.32Å; Q636-K639 PolarHBondContact O-N 3.4Å; Q636-V640 PolarHBondContact O-N 3.01Å; Q636-E705 HydrophobicContact CB-CB 4.05Å; Q636-E705 HydrophobicContact CB-CG 4Å; Q636-E705 HydrophobicContact CG-CB 4.29Å; Q636-E705 HydrophobicContact CG-CG 4.26Å
637	A	98.8	Very high	98.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-54.5	-44.1	-174.9	0	0	0	0	0	113.1	V529 V632 G634 V640 L641	V529-A637 HydrophobicContact CG2-CB 4.25Å; V632-A637 HydrophobicContact CG1-CB 4.12Å; G634-A637 VanDerWaalsContact O-CB 3.23Å; G634-A637 WeakPolarHBondContact O-CB 3.29Å; G634-A637 PolarHBondContact O-N 3.47Å; A637-V640 PolarHBondContact O-N 3.07Å; A637-L641 WeakPolarHBondContact O-CB 3.32Å; A637-L641 WeakPolarHBondContact O-CG 3.49Å; A637-L641 PolarHBondContact O-N 2.9Å
638	R	98.8	Very high	98.8	Very high	57 Å²	57	36.1 Å²	36.1	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-44.8	176.1	-178	-175	-64.5	104.4	1.6	111.8	Q636 V640 L641 Q642 L649 L680 W682	Q636-R638 VanDerWaalsContact C-N 3.31Å; Q636-R638 PolarHBondContact O-N 2.93Å; R638-V640 VanDerWaalsContact C-N 3.3Å; R638-V640 PolarHBondContact O-N 2.94Å; R638-L641 PolarHBondContact O-N 3.45Å; R638-Q642 WeakPolarHBondContact O-CB 3.26Å; R638-Q642 PolarHBondContact O-N 3.06Å; R638-L649 WeakPolarHBondContact CD-O 3.36Å; R638-L649 HydrophobicContact CG-CB 4.04Å; R638-L649 PolarHBondContact NE-O 3.4Å; R638-L680 HydrophobicContact CB-CD2 3.99Å; R638-L680 VanDerWaalsContact NH1-CD2 3.3Å; R638-W682 HydrophobicContact CB-CH2 3.92Å; R638-W682 HydrophobicContact CB-CZ3 3.95Å; R638-W682 HydrophobicContact CG-CH2 4.17Å
639	K	98.8	Very high	98.8	Very high	111 Å²	111	36.3 Å²	36.3	48%	0.483	19%	0.189	S	C	.	.	H	α-helix	trans	-60.9	-43	-177.6	-170.7	-176.5	-179.9	-145.3	0	110.6	Q636 K643 E705	Q636-K639 WeakPolarHBondContact O-CB 3.32Å; Q636-K639 PolarHBondContact O-N 3.4Å; K639-K643 WeakPolarHBondContact O-CG 3.41Å; K639-E705 HydrophobicContact CD-CG 3.99Å; K639-E705 VanDerWaalsContact CD-OE1 3.28Å; K639-E705 WeakPolarHBondContact CD-OE1 3.22Å; K639-E705 WeakPolarHBondContact CE-OE1 3.37Å; K639-E705 IonicContact NZ-OE1 3.57Å; K639-E705 PolarHBondContact NZ-OE1 3.44Å
640	V	98.9	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-54	176.7	175.8	0	0	0	0	111.4	V529 Q636 A637 R638 Q642 K643 I698 A701 E705 I707	V529-V640 HydrophobicContact CG1-CG2 3.97Å; Q636-V640 PolarHBondContact O-N 3.01Å; A637-V640 PolarHBondContact O-N 3.07Å; R638-V640 VanDerWaalsContact C-N 3.3Å; R638-V640 PolarHBondContact O-N 2.94Å; V640-Q642 VanDerWaalsContact C-N 3.33Å; V640-Q642 PolarHBondContact O-N 3.32Å; V640-K643 WeakPolarHBondContact O-CB 3.26Å; V640-K643 PolarHBondContact O-N 3.34Å; V640-I698 HydrophobicContact CG1-CG2 4.41Å; V640-A701 HydrophobicContact CG1-CB 4.26Å; V640-E705 HydrophobicContact CG2-CB 4.01Å; V640-E705 HydrophobicContact CG2-CG 3.99Å; V640-I707 HydrophobicContact CG1-CD1 4.18Å
641	L	98.9	Very high	98.5	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-34.5	-174.6	-69.4	177.1	0	0	0	112.9	V632 A637 R638 K643 L644 T645 L649 W682 L684 I698	V632-L641 HydrophobicContact CB-CD1 4.28Å; V632-L641 HydrophobicContact CG1-CD1 4.35Å; V632-L641 HydrophobicContact CG1-CG 4.33Å; V632-L641 HydrophobicContact CG2-CD2 4.37Å; A637-L641 WeakPolarHBondContact O-CB 3.32Å; A637-L641 WeakPolarHBondContact O-CG 3.49Å; A637-L641 PolarHBondContact O-N 2.9Å; R638-L641 PolarHBondContact O-N 3.45Å; L641-K643 PolarHBondContact O-N 3.28Å; L641-L644 PolarHBondContact O-N 3Å; L641-T645 PolarHBondContact O-N 3.45Å; L641-L649 HydrophobicContact CB-CD1 3.56Å; L641-W682 HydrophobicContact CD1-CB 4.14Å; L641-W682 HydrophobicContact CD1-CD2 4.17Å; L641-W682 HydrophobicContact CD1-CE3 3.79Å; L641-W682 HydrophobicContact CD1-CG 4.35Å; L641-L684 HydrophobicContact CD2-CD1 3.97Å; L641-I698 HydrophobicContact CD2-CD1 4.34Å; L641-I698 HydrophobicContact CD2-CG1 4.21Å
642	Q	98.8	Very high	98.3	Very high	67 Å²	67	45.4 Å²	45.4	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-63.5	-27.6	179.3	-170.2	65.4	75.3	0	0	112.6	R638 V640 L644 T645 E647 L649	R638-Q642 WeakPolarHBondContact O-CB 3.26Å; R638-Q642 PolarHBondContact O-N 3.06Å; V640-Q642 VanDerWaalsContact C-N 3.33Å; V640-Q642 PolarHBondContact O-N 3.32Å; Q642-L644 PolarHBondContact O-N 2.95Å; Q642-T645 PolarHBondContact NE2-O 3.23Å; Q642-T645 VanDerWaalsContact NE2-O 3.13Å; Q642-T645 VanDerWaalsContact O-O 3.1Å; Q642-E647 PolarHBondContact NE2-O 2.98Å; Q642-E647 PolarHBondContact OE1-O 2.67Å; Q642-L649 HydrophobicContact CB-CD1 4.41Å
643	K	98.8	Very high	98.2	Very high	89 Å²	89	48.5 Å²	48.5	39%	0.387	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.4	173.9	-63.1	174.2	-169.3	-178.8	0	112.4	K639 V640 L641 A701 E704 E705	K639-K643 WeakPolarHBondContact O-CG 3.41Å; V640-K643 WeakPolarHBondContact O-CB 3.26Å; V640-K643 PolarHBondContact O-N 3.34Å; L641-K643 PolarHBondContact O-N 3.28Å; K643-A701 PolarHBondContact NZ-O 2.68Å; K643-E704 IonicContact NZ-OE2 3.29Å; K643-E704 PolarHBondContact NZ-OE2 3.36Å; K643-E705 IonicContact NZ-OE1 2.69Å; K643-E705 PolarHBondContact NZ-OE1 2.91Å; K643-E705 IonicContact NZ-OE2 3.82Å; K643-E705 PolarHBondContact NZ-OE2 2.82Å
644	L	98.9	Very high	98.2	Very high	31 Å²	31	48.5 Å²	48.5	16%	0.162	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-3.2	-170.7	-59.7	-178.2	0	0	0	113.8	L641 Q642 V664 S665 I698 A701	L641-L644 PolarHBondContact O-N 3Å; Q642-L644 PolarHBondContact O-N 2.95Å; L644-V664 HydrophobicContact CB-CG1 3.69Å; L644-V664 HydrophobicContact CD1-CG1 3.76Å; L644-V664 HydrophobicContact CG-CG1 4.41Å; L644-V664 WeakPolarHBondContact O-CA 3.45Å; L644-S665 VanDerWaalsContact CD2-OG 3.27Å; L644-S665 WeakPolarHBondContact CD2-OG 3.46Å; L644-S665 PolarHBondContact O-N 2.59Å; L644-I698 HydrophobicContact CD1-CG1 4.01Å; L644-A701 HydrophobicContact CD1-CB 3.75Å; L644-A701 HydrophobicContact CD2-CB 3.58Å; L644-A701 HydrophobicContact CG-CB 3.71Å
645	T	98.8	Very high	98.2	Very high	15 Å²	15	53.9 Å²	53.9	9%	0.092	28%	0.282	C	S	.	.			trans	-140.2	148.7	-177	-165.5	0	0	0	0	112.5	L641 Q642 E647 L649 K663	L641-T645 PolarHBondContact O-N 3.45Å; Q642-T645 PolarHBondContact NE2-O 3.23Å; Q642-T645 VanDerWaalsContact NE2-O 3.13Å; Q642-T645 VanDerWaalsContact O-O 3.1Å; T645-E647 HydrophobicContact CG2-CB 4.28Å; T645-E647 PolarHBondContact OG1-N 2.7Å; T645-L649 HydrophobicContact CG2-CD1 3.82Å; T645-L649 HydrophobicContact CG2-CD2 4.19Å; T645-L649 HydrophobicContact CG2-CG 3.97Å; T645-K663 WeakPolarHBondContact CB-O 3.42Å; T645-K663 PolarHBondContact OG1-O 2.89Å
646	S	98.4	Very high	98.2	Very high	129 Å²	129	55.7 Å²	55.7	90%	0.902	28%	0.284	S	S	*	.	S	Bend	trans	-84.1	-12.9	170.9	59.1	0	0	0	0	113.1
647	E	98.7	Very high	98.2	Very high	56 Å²	56	54.3 Å²	54.3	26%	0.262	28%	0.278	S	S	.	.	S	Bend	trans	-67.4	138.6	175.4	-180	62.6	-159	0	0	109.9	Q642 T645 L649 F654 K660 L662	Q642-E647 PolarHBondContact NE2-O 2.98Å; Q642-E647 PolarHBondContact OE1-O 2.67Å; T645-E647 HydrophobicContact CG2-CB 4.28Å; T645-E647 PolarHBondContact OG1-N 2.7Å; E647-L649 HydrophobicContact CB-CD2 4.42Å; E647-L649 HydrophobicContact CG-CD2 4.16Å; E647-L649 PolarHBondContact O-N 2.83Å; E647-F654 HydrophobicContact CG-CD2 4.43Å; E647-K660 VanDerWaalsContact OE1-CD 3.27Å; E647-K660 WeakPolarHBondContact OE1-CD 3.47Å; E647-K660 IonicContact OE1-NZ 3.26Å; E647-K660 PolarHBondContact OE1-NZ 3.3Å; E647-L662 HydrophobicContact CB-CB 4.14Å; E647-L662 HydrophobicContact CB-CD2 4.03Å; E647-L662 HydrophobicContact CG-CB 4.46Å; E647-L662 HydrophobicContact CG-CD2 3.87Å
648	D	98.5	Very high	98.2	Very high	69 Å²	69	55.6 Å²	55.6	37%	0.369	29%	0.285	S	S	.	.			trans	-76.2	111.7	176.8	-176.2	-15.5	0	0	0	110.4	S650 V653	D648-S650 WeakPolarHBondContact OD1-CA 3.46Å; D648-S650 WeakPolarHBondContact OD1-CB 3.4Å; D648-S650 PolarHBondContact OD1-N 2.73Å; D648-S650 PolarHBondContact OD1-OG 2.9Å; D648-S650 PolarHBondContact OD2-OG 2.79Å; D648-V653 HydrophobicContact CB-CB 4.29Å; D648-V653 HydrophobicContact CB-CG1 3.94Å; D648-V653 WeakPolarHBondContact OD2-CG2 3.05Å
649	L	98.6	Very high	98.2	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	28%	0.276	C	S	.	.			trans	-94.4	8.4	-179.6	-53	-173.9	0	0	0	113.2	R638 L641 Q642 T645 E647 F654 L662 W682	R638-L649 WeakPolarHBondContact CD-O 3.36Å; R638-L649 HydrophobicContact CG-CB 4.04Å; R638-L649 PolarHBondContact NE-O 3.4Å; L641-L649 HydrophobicContact CB-CD1 3.56Å; Q642-L649 HydrophobicContact CB-CD1 4.41Å; T645-L649 HydrophobicContact CG2-CD1 3.82Å; T645-L649 HydrophobicContact CG2-CD2 4.19Å; T645-L649 HydrophobicContact CG2-CG 3.97Å; E647-L649 HydrophobicContact CB-CD2 4.42Å; E647-L649 HydrophobicContact CG-CD2 4.16Å; E647-L649 PolarHBondContact O-N 2.83Å; L649-F654 HydrophobicContact CD2-CD2 3.66Å; L649-F654 HydrophobicContact CD2-CE2 4.12Å; L649-L662 HydrophobicContact CD2-CD2 4.34Å; L649-W682 HydrophobicContact CB-CH2 4.23Å; L649-W682 HydrophobicContact CB-CZ2 4.05Å
650	S	97.8	Very high	98.2	Very high	40 Å²	40	50.3 Å²	50.3	28%	0.28	26%	0.264	S	S	.	.			trans	-59.5	153.5	177.9	68.3	0	0	0	0	112	D648 D652 V653 F654	D648-S650 WeakPolarHBondContact OD1-CA 3.46Å; D648-S650 WeakPolarHBondContact OD1-CB 3.4Å; D648-S650 PolarHBondContact OD1-N 2.73Å; D648-S650 PolarHBondContact OD1-OG 2.9Å; D648-S650 PolarHBondContact OD2-OG 2.79Å; S650-D652 PolarHBondContact O-N 2.86Å; S650-V653 PolarHBondContact O-N 2.88Å; S650-V653 WeakPolarHBondContact OG-CG2 3.23Å; S650-F654 PolarHBondContact O-N 3.4Å
651	D	94.6	Very high	98.2	Very high	42 Å²	42	55 Å²	55	23%	0.225	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.3	-174.8	-175.2	65.4	0	0	0	113.5	R673 K859	D651-R673 IonicContact OD1-CZ 3.54Å; D651-R673 IonicContact OD1-NH1 3.56Å; D651-R673 PolarHBondContact OD1-NH1 3.21Å; D651-R673 IonicContact OD1-NH2 2.85Å; D651-R673 PolarHBondContact OD1-NH2 2.69Å; D651-K859 WeakPolarHBondContact OD2-CE 3.21Å; D651-K859 IonicContact OD2-NZ 3.66Å; D651-K859 PolarHBondContact OD2-NZ 3.5Å
652	D	94.5	Very high	98.2	Very high	114 Å²	114	55.8 Å²	55.8	61%	0.61	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-26.6	-177.5	-66.3	-35.8	0	0	0	112.6	S650 K655 K859	S650-D652 PolarHBondContact O-N 2.86Å; D652-K655 VanDerWaalsContact O-CE 3.3Å; D652-K655 WeakPolarHBondContact O-CE 3.35Å; D652-K859 IonicContact OD1-NZ 3.98Å; D652-K859 PolarHBondContact OD1-NZ 3.29Å
653	V	97.8	Very high	98.2	Very high	65 Å²	65	58.4 Å²	58.4	39%	0.394	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-42.8	-177	179.5	0	0	0	0	113	D648 S650 Q658 K660	D648-V653 HydrophobicContact CB-CB 4.29Å; D648-V653 HydrophobicContact CB-CG1 3.94Å; D648-V653 WeakPolarHBondContact OD2-CG2 3.05Å; S650-V653 PolarHBondContact O-N 2.88Å; S650-V653 WeakPolarHBondContact OG-CG2 3.23Å; V653-Q658 PolarHBondContact O-OE1 3.26Å; V653-K660 PolarHBondContact O-NZ 3.08Å
654	F	98.3	Very high	98.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-107.8	85.4	174.3	-155.1	-41.2	0	0	0	109.2	E647 L649 S650 Q658 K660 L662 A671 R673 W682	E647-F654 HydrophobicContact CG-CD2 4.43Å; L649-F654 HydrophobicContact CD2-CD2 3.66Å; L649-F654 HydrophobicContact CD2-CE2 4.12Å; S650-F654 PolarHBondContact O-N 3.4Å; F654-Q658 HydrophobicContact CD1-CB 3.89Å; F654-Q658 HydrophobicContact CE1-CB 3.77Å; F654-Q658 WeakPolarHBondContact CE1-O 3.29Å; F654-K660 HydrophobicContact CD2-CD 3.92Å; F654-K660 HydrophobicContact CE1-CG 4.46Å; F654-K660 HydrophobicContact CE2-CB 3.96Å; F654-K660 HydrophobicContact CE2-CD 3.8Å; F654-K660 HydrophobicContact CE2-CG 3.97Å; F654-K660 HydrophobicContact CG-CD 4.46Å; F654-K660 HydrophobicContact CZ-CB 3.99Å; F654-K660 HydrophobicContact CZ-CD 4.22Å; F654-K660 HydrophobicContact CZ-CG 3.92Å; F654-L662 HydrophobicContact CE2-CD2 3.93Å; F654-A671 HydrophobicContact CE2-CB 4.36Å; F654-A671 HydrophobicContact CZ-CB 4.18Å; F654-R673 HydrophobicContact CD1-CB 3.78Å; F654-R673 HydrophobicContact CE1-CB 3.68Å; F654-R673 WeakPolarHBondContact O-CD 3.39Å; F654-R673 PolarHBondContact O-NH1 2.84Å; F654-W682 AromaticContact CD1-NE1 3.65Å; F654-W682 AromaticContact CD2-NE1 3.82Å; F654-W682 AromaticContact CE1-NE1 3.5Å; F654-W682 AromaticContact CE2-NE1 3.66Å; F654-W682 HydrophobicContact CG-CZ2 4.45Å; F654-W682 AromaticContact CG-NE1 3.82Å; F654-W682 AromaticContact CZ-CD1 3.86Å; F654-W682 AromaticContact CZ-NE1 3.51Å
655	K	98.3	Very high	98.1	Very high	113 Å²	113	55.1 Å²	55.1	49%	0.491	30%	0.302	S	S	.	.			trans	-71.5	157	-174.3	-60.2	-178.7	179.4	176.6	0	111.8	D652 L657 Q658	D652-K655 VanDerWaalsContact O-CE 3.3Å; D652-K655 WeakPolarHBondContact O-CE 3.35Å; K655-L657 PolarHBondContact O-N 3.28Å; K655-Q658 HydrophobicContact CB-CG 4.02Å; K655-Q658 WeakPolarHBondContact O-CB 3.18Å; K655-Q658 PolarHBondContact O-N 3.4Å
656	F	98.4	Very high	98.1	Very high	95 Å²	95	61 Å²	61	42%	0.417	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	136.7	171.1	177.6	-121.8	0	0	0	110.8	Q658 R673 P852	F656-Q658 PolarHBondContact O-N 2.82Å; F656-R673 WeakPolarHBondContact CD2-O 3.46Å; F656-P852 HydrophobicContact CB-CB 4.32Å; F656-P852 HydrophobicContact CB-CG 4.21Å; F656-P852 HydrophobicContact CD1-CB 3.94Å; F656-P852 HydrophobicContact CD1-CG 3.93Å; F656-P852 HydrophobicContact CD2-CB 4.38Å; F656-P852 HydrophobicContact CD2-CG 3.54Å; F656-P852 HydrophobicContact CE1-CB 4.35Å; F656-P852 HydrophobicContact CE1-CG 4.16Å; F656-P852 HydrophobicContact CE2-CG 3.8Å; F656-P852 HydrophobicContact CG-CB 3.96Å; F656-P852 HydrophobicContact CG-CG 3.61Å; F656-P852 HydrophobicContact CZ-CG 4.1Å
657	L	98.5	Very high	98.1	Very high	38 Å²	38	55.8 Å²	55.8	20%	0.199	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	16.5	-175	-56.6	175	0	0	0	115.7	F564 T565 K655 R673 I674	F564-L657 CarbonylContact C-O 3.54Å; F564-L657 WeakPolarHBondContact CA-O 3.43Å; T565-L657 PolarHBondContact N-O 3.02Å; T565-L657 WeakPolarHBondContact O-CB 3.37Å; K655-L657 PolarHBondContact O-N 3.28Å; L657-R673 PolarHBondContact N-O 3.31Å; L657-I674 HydrophobicContact CD2-CB 4.27Å; L657-I674 HydrophobicContact CD2-CD1 3.73Å; L657-I674 HydrophobicContact CD2-CG1 4Å
658	Q	98.8	Very high	98.2	Very high	28 Å²	28	56.8 Å²	56.8	13%	0.131	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-77.5	149.9	164.1	-76	-175.8	-29.9	0	0	110.9	G563 F564 V653 F654 K655 F656 I672 R673	G563-Q658 WeakPolarHBondContact O-CA 3.39Å; F564-Q658 HydrophobicContact CD1-CG 3.75Å; F564-Q658 HydrophobicContact CE1-CG 3.43Å; F564-Q658 VanDerWaalsContact CE1-CG 3.43Å; F564-Q658 HydrophobicContact CG-CG 4.46Å; F564-Q658 HydrophobicContact CZ-CG 3.88Å; V653-Q658 PolarHBondContact O-OE1 3.26Å; F654-Q658 HydrophobicContact CD1-CB 3.89Å; F654-Q658 HydrophobicContact CE1-CB 3.77Å; F654-Q658 WeakPolarHBondContact CE1-O 3.29Å; K655-Q658 HydrophobicContact CB-CG 4.02Å; K655-Q658 WeakPolarHBondContact O-CB 3.18Å; K655-Q658 PolarHBondContact O-N 3.4Å; F656-Q658 PolarHBondContact O-N 2.82Å; Q658-I672 WeakPolarHBondContact O-CA 3.37Å; Q658-R673 PolarHBondContact O-N 2.86Å
659	T	98.9	Very high	98.2	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.043	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135	168.2	-178.3	0	0	0	0	108.9	G563 S584 T670 A671	G563-T659 VanDerWaalsContact C-CG2 3.5Å; G563-T659 PolarHBondContact O-N 3.25Å; S584-T659 WeakPolarHBondContact OG-CB 3.26Å; S584-T659 VanDerWaalsContact OG-CG2 3.29Å; S584-T659 WeakPolarHBondContact OG-CG2 3.09Å; T659-T670 VanDerWaalsContact OG1-CG2 3.31Å; T659-T670 WeakPolarHBondContact OG1-CG2 3.43Å; T659-A671 WeakPolarHBondContact CA-O 3.38Å
660	K	98.8	Very high	98.2	Very high	49 Å²	49	54.6 Å²	54.6	21%	0.213	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.3	176.6	-60.1	-171.9	-171.4	-179.5	0	110.4	E647 V653 F654 A671	E647-K660 VanDerWaalsContact OE1-CD 3.27Å; E647-K660 WeakPolarHBondContact OE1-CD 3.47Å; E647-K660 IonicContact OE1-NZ 3.26Å; E647-K660 PolarHBondContact OE1-NZ 3.3Å; V653-K660 PolarHBondContact O-NZ 3.08Å; F654-K660 HydrophobicContact CD2-CD 3.92Å; F654-K660 HydrophobicContact CE1-CG 4.46Å; F654-K660 HydrophobicContact CE2-CB 3.96Å; F654-K660 HydrophobicContact CE2-CD 3.8Å; F654-K660 HydrophobicContact CE2-CG 3.97Å; F654-K660 HydrophobicContact CG-CD 4.46Å; F654-K660 HydrophobicContact CZ-CB 3.99Å; F654-K660 HydrophobicContact CZ-CD 4.22Å; F654-K660 HydrophobicContact CZ-CG 3.92Å; K660-A671 PolarHBondContact N-O 3.37Å; K660-A671 PolarHBondContact O-N 3.29Å
661	S	98.8	Very high	98.2	Very high	98 Å²	98	52.7 Å²	52.7	69%	0.685	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.4	165.8	-54.8	0	0	0	0	109.4	V669	S661-V669 WeakPolarHBondContact CA-O 3.33Å
662	L	98.8	Very high	98.5	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-178.2	-179	59.9	86.6	0	0	0	110.4	E647 L649 F654 V664 V669 A671	E647-L662 HydrophobicContact CB-CB 4.14Å; E647-L662 HydrophobicContact CB-CD2 4.03Å; E647-L662 HydrophobicContact CG-CB 4.46Å; E647-L662 HydrophobicContact CG-CD2 3.87Å; L649-L662 HydrophobicContact CD2-CD2 4.34Å; F654-L662 HydrophobicContact CE2-CD2 3.93Å; L662-V664 HydrophobicContact CD1-CG2 3.6Å; L662-V669 HydrophobicContact CD1-CG2 3.4Å; L662-V669 HydrophobicContact CG-CG2 3.97Å; L662-V669 PolarHBondContact N-O 3.19Å; L662-V669 PolarHBondContact O-N 2.55Å; L662-V669 VanDerWaalsContact O-O 3.05Å; L662-A671 HydrophobicContact CD2-CB 3.74Å; L662-A671 HydrophobicContact CG-CB 4.16Å
663	K	98.9	Very high	98.7	Very high	122 Å²	122	45.5 Å²	45.5	53%	0.53	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.2	171.5	-64.8	-175.8	179.9	-174.4	0	111.1	T645 I667	T645-K663 WeakPolarHBondContact CB-O 3.42Å; T645-K663 PolarHBondContact OG1-O 2.89Å; K663-I667 CarbonylContact C-O 3.55Å; K663-I667 VanDerWaalsContact CA-O 3.23Å; K663-I667 WeakPolarHBondContact CA-O 3.45Å
664	V	98.8	Very high	98.7	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.3	169.7	177.6	0	0	0	0	106.8	L644 L662 N666 I667 V669 L694 I698	L644-V664 HydrophobicContact CB-CG1 3.69Å; L644-V664 HydrophobicContact CD1-CG1 3.76Å; L644-V664 HydrophobicContact CG-CG1 4.41Å; L644-V664 WeakPolarHBondContact O-CA 3.45Å; L662-V664 HydrophobicContact CD1-CG2 3.6Å; V664-N666 VanDerWaalsContact C-N 3.26Å; V664-N666 PolarHBondContact O-N 2.93Å; V664-I667 PolarHBondContact N-O 3.25Å; V664-I667 VanDerWaalsContact O-CB 3.3Å; V664-I667 WeakPolarHBondContact O-CB 3.47Å; V664-I667 PolarHBondContact O-N 2.84Å; V664-V669 HydrophobicContact CG2-CG2 3.82Å; V664-L694 HydrophobicContact CB-CD1 3.72Å; V664-L694 HydrophobicContact CG1-CD1 3.64Å; V664-I698 HydrophobicContact CG1-CG1 4.33Å
665	S	98.3	Very high	98.7	Very high	48 Å²	48	43.8 Å²	43.8	34%	0.336	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	45	-173.1	-65.6	0	0	0	0	113.2	L644 I667	L644-S665 VanDerWaalsContact CD2-OG 3.27Å; L644-S665 WeakPolarHBondContact CD2-OG 3.46Å; L644-S665 PolarHBondContact O-N 2.59Å; S665-I667 PolarHBondContact O-N 3.11Å; S665-I667 VanDerWaalsContact O-N 3.14Å
666	N	98.4	Very high	98.7	Very high	139 Å²	139	42 Å²	42	74%	0.743	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	-0.9	-174.6	-60.3	-55.4	0	0	0	116.6	V664	V664-N666 VanDerWaalsContact C-N 3.26Å; V664-N666 PolarHBondContact O-N 2.93Å
667	I	98.8	Very high	98.7	Very high	20 Å²	20	37.4 Å²	37.4	10%	0.103	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.2	175.4	-60.1	169.7	0	0	0	108.8	K663 V664 S665 V669 D690 A693 L694	K663-I667 CarbonylContact C-O 3.55Å; K663-I667 VanDerWaalsContact CA-O 3.23Å; K663-I667 WeakPolarHBondContact CA-O 3.45Å; V664-I667 PolarHBondContact N-O 3.25Å; V664-I667 VanDerWaalsContact O-CB 3.3Å; V664-I667 WeakPolarHBondContact O-CB 3.47Å; V664-I667 PolarHBondContact O-N 2.84Å; S665-I667 PolarHBondContact O-N 3.11Å; S665-I667 VanDerWaalsContact O-N 3.14Å; I667-V669 HydrophobicContact CG2-CG1 4.33Å; I667-V669 PolarHBondContact O-N 2.79Å; I667-D690 HydrophobicContact CG2-CB 3.71Å; I667-A693 HydrophobicContact CD1-CB 3.77Å; I667-L694 HydrophobicContact CD1-CB 3.95Å; I667-L694 HydrophobicContact CD1-CD1 4.41Å
668	P	98.8	Very high	98.7	Very high	76 Å²	76	35.9 Å²	35.9	49%	0.494	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.8	178.7	28.2	-31.3	0	0	0	110.8
669	V	98.9	Very high	98.7	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.036	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.5	178.6	-52.8	0	0	0	0	110.8	S661 L662 V664 I667 Y685 H686 L694	S661-V669 WeakPolarHBondContact CA-O 3.33Å; L662-V669 HydrophobicContact CD1-CG2 3.4Å; L662-V669 HydrophobicContact CG-CG2 3.97Å; L662-V669 PolarHBondContact N-O 3.19Å; L662-V669 PolarHBondContact O-N 2.55Å; L662-V669 VanDerWaalsContact O-O 3.05Å; V664-V669 HydrophobicContact CG2-CG2 3.82Å; I667-V669 HydrophobicContact CG2-CG1 4.33Å; I667-V669 PolarHBondContact O-N 2.79Å; V669-Y685 CarbonylContact C-O 3.33Å; V669-Y685 WeakPolarHBondContact CA-O 3.4Å; V669-H686 HydrophobicContact CG1-CB 4.06Å; V669-L694 HydrophobicContact CG1-CD1 4.24Å; V669-L694 HydrophobicContact CG1-CD2 3.93Å
670	T	98.9	Very high	98.7	Very high	22 Å²	22	35 Å²	35	14%	0.135	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.2	156.8	-64.5	0	0	0	0	107.9	T659 Y685	T659-T670 VanDerWaalsContact OG1-CG2 3.31Å; T659-T670 WeakPolarHBondContact OG1-CG2 3.43Å; T670-Y685 PolarHBondContact N-O 2.91Å; T670-Y685 PolarHBondContact O-N 3.23Å
671	A	98.9	Very high	98.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131	177.4	0	0	0	0	0	109.8	F654 T659 K660 L662 E683 L684	F654-A671 HydrophobicContact CE2-CB 4.36Å; F654-A671 HydrophobicContact CZ-CB 4.18Å; T659-A671 WeakPolarHBondContact CA-O 3.38Å; K660-A671 PolarHBondContact N-O 3.37Å; K660-A671 PolarHBondContact O-N 3.29Å; L662-A671 HydrophobicContact CD2-CB 3.74Å; L662-A671 HydrophobicContact CG-CB 4.16Å; A671-E683 WeakPolarHBondContact CA-O 3.34Å; A671-L684 HydrophobicContact CB-CD2 3.68Å
672	I	98.9	Very high	98.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.3	171.6	-51.6	-174.4	0	0	0	108	T565 Q658 I674 W682 E683 Y685	T565-I672 HydrophobicContact CG2-CG2 4.1Å; T565-I672 WeakPolarHBondContact OG1-CG2 3.48Å; Q658-I672 WeakPolarHBondContact O-CA 3.37Å; I672-I674 HydrophobicContact CB-CG2 3.98Å; I672-I674 HydrophobicContact CG2-CB 4.06Å; I672-I674 HydrophobicContact CG2-CG2 3.56Å; I672-I674 PolarHBondContact O-N 3.01Å; I672-W682 CarbonylContact O-C 3.54Å; I672-W682 WeakPolarHBondContact O-CA 3.27Å; I672-E683 PolarHBondContact N-O 2.9Å; I672-E683 PolarHBondContact O-N 3.19Å; I672-Y685 HydrophobicContact CB-CE2 4.47Å; I672-Y685 HydrophobicContact CD1-CD2 4.06Å; I672-Y685 HydrophobicContact CD1-CE2 3.55Å; I672-Y685 HydrophobicContact CG1-CD2 4.11Å; I672-Y685 HydrophobicContact CG1-CE2 3.89Å
673	R	98.8	Very high	98.7	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.015	15%	0.149	C	C	.	.			trans	-78.1	78.7	175.8	-169.1	177.9	168.2	-159.3	-6	110.2	D651 F654 F656 L657 Q658 W682 E851	D651-R673 IonicContact OD1-CZ 3.54Å; D651-R673 IonicContact OD1-NH1 3.56Å; D651-R673 PolarHBondContact OD1-NH1 3.21Å; D651-R673 IonicContact OD1-NH2 2.85Å; D651-R673 PolarHBondContact OD1-NH2 2.69Å; F654-R673 HydrophobicContact CD1-CB 3.78Å; F654-R673 HydrophobicContact CE1-CB 3.68Å; F654-R673 WeakPolarHBondContact O-CD 3.39Å; F654-R673 PolarHBondContact O-NH1 2.84Å; F656-R673 WeakPolarHBondContact CD2-O 3.46Å; L657-R673 PolarHBondContact N-O 3.31Å; Q658-R673 PolarHBondContact O-N 2.86Å; R673-W682 HydrophobicContact CB-CG 4.46Å; R673-W682 HydrophobicContact CG-CD2 4.27Å; R673-W682 HydrophobicContact CG-CZ2 4Å; R673-E851 IonicContact NH2-OE1 2.91Å; R673-E851 IonicContact NH2-OE2 2.76Å; R673-E851 PolarHBondContact NH2-OE2 3.14Å
674	I	98.7	Very high	98.7	Very high	16 Å²	16	22.2 Å²	22.2	8%	0.082	12%	0.124	C	C	.	.			trans	-146.8	152	178.4	-166.5	171.2	0	0	0	108.7	I567 L657 I672 G681 E683	I567-I674 HydrophobicContact CD1-CD1 4.01Å; L657-I674 HydrophobicContact CD2-CB 4.27Å; L657-I674 HydrophobicContact CD2-CD1 3.73Å; L657-I674 HydrophobicContact CD2-CG1 4Å; I672-I674 HydrophobicContact CB-CG2 3.98Å; I672-I674 HydrophobicContact CG2-CB 4.06Å; I672-I674 HydrophobicContact CG2-CG2 3.56Å; I672-I674 PolarHBondContact O-N 3.01Å; I674-G681 PolarHBondContact N-O 3.39Å; I674-E683 HydrophobicContact CG2-CB 4.26Å; I674-E683 HydrophobicContact CG2-CG 3.91Å
675	S	98.4	Very high	98.7	Very high	14 Å²	14	22.3 Å²	22.3	10%	0.098	12%	0.124	C	C	.	.			trans	-154.4	131.9	170	-175.7	0	0	0	0	110.1	A633 T677 G678	A633-S675 WeakPolarHBondContact CB-OG 3.38Å; S675-T677 PolarHBondContact O-N 2.58Å; S675-T677 PolarHBondContact OG-N 2.73Å; S675-T677 PolarHBondContact OG-OG1 3.34Å; S675-G678 PolarHBondContact O-N 2.76Å
676	Y	98.2	Very high	98.7	Very high	74 Å²	74	20.2 Å²	20.2	29%	0.29	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.5	175	-162.1	-126.4	0	0	0	113.4	G678 M715 R719 F724 R725	Y676-G678 PolarHBondContact O-N 3.19Å; Y676-M715 HydrophobicContact CD1-CG 3.97Å; Y676-M715 HydrophobicContact CD1-SD 4.06Å; Y676-M715 HydrophobicContact CG-SD 4.46Å; Y676-R719 HydrophobicContact CD1-CB 3.79Å; Y676-R719 HydrophobicContact CD1-CG 4.13Å; Y676-R719 HydrophobicContact CE1-CB 3.57Å; Y676-R719 HydrophobicContact CE1-CG 3.5Å; Y676-R719 HydrophobicContact CE2-CB 4.36Å; Y676-R719 HydrophobicContact CG-CB 4.29Å; Y676-R719 WeakPolarHBondContact O-CB 3.28Å; Y676-F724 HydrophobicContact CD2-CB 4.33Å; Y676-F724 AromaticContact CD2-CD2 3.85Å; Y676-F724 HydrophobicContact CD2-CD2 3.85Å; Y676-F724 HydrophobicContact CE2-CB 3.67Å; Y676-F724 HydrophobicContact CE2-CD2 4.07Å; Y676-F724 HydrophobicContact CE2-CG 4.31Å; Y676-F724 VanDerWaalsContact O-CD2 3.28Å; Y676-F724 WeakPolarHBondContact O-CD2 3.12Å; Y676-R725 PolarHBondContact OH-O 3.03Å; Y676-R725 VanDerWaalsContact OH-O 3.04Å
677	T	98.6	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.3	169.8	70.1	0	0	0	0	113	V525 A633 S675 E679 F710 M715 L718 K722	V525-T677 HydrophobicContact CG1-CG2 4.08Å; A633-T677 HydrophobicContact CB-CG2 3.99Å; S675-T677 PolarHBondContact O-N 2.58Å; S675-T677 PolarHBondContact OG-N 2.73Å; S675-T677 PolarHBondContact OG-OG1 3.34Å; T677-E679 PolarHBondContact O-N 3.29Å; T677-E679 PolarHBondContact OG1-N 3.09Å; T677-E679 VanDerWaalsContact OG1-N 3.14Å; T677-F710 HydrophobicContact CG2-CE2 3.94Å; T677-F710 HydrophobicContact CG2-CZ 3.94Å; T677-M715 HydrophobicContact CG2-CE 3.9Å; T677-M715 HydrophobicContact CG2-SD 3.52Å; T677-M715 VanDerWaalsContact CG2-SD 3.52Å; T677-L718 HydrophobicContact CG2-CB 4.49Å; T677-L718 HydrophobicContact CG2-CD1 3.83Å; T677-K722 WeakPolarHBondContact O-CE 3.36Å; T677-K722 VanDerWaalsContact O-CG 3.29Å; T677-K722 WeakPolarHBondContact O-CG 3.37Å; T677-K722 PolarHBondContact O-NZ 2.88Å
678	G	97.9	Very high	98.7	Very high	5 Å²	5	23.1 Å²	23.1	5%	0.052	11%	0.108	C	C	.	.	S	Bend	trans	65.9	5.7	-170.2	0	0	0	0	0	115.5	S675 Y676 T850 E851	S675-G678 PolarHBondContact O-N 2.76Å; Y676-G678 PolarHBondContact O-N 3.19Å; G678-T850 CarbonylContact O-C 3.53Å; G678-T850 WeakPolarHBondContact O-CA 3.39Å; G678-E851 PolarHBondContact O-N 2.81Å
679	E	98.7	Very high	98.7	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.056	11%	0.113	C	C	.	.	S	Bend	trans	-84	171.3	168	-64	-54.3	121.8	0	0	111.1	V525 M526 T677 G681 K722 R854	V525-E679 HydrophobicContact CG1-CG 4.34Å; M526-E679 HydrophobicContact SD-CG 3.7Å; T677-E679 PolarHBondContact O-N 3.29Å; T677-E679 PolarHBondContact OG1-N 3.09Å; T677-E679 VanDerWaalsContact OG1-N 3.14Å; E679-G681 PolarHBondContact O-N 2.78Å; E679-K722 WeakPolarHBondContact OE1-CE 3.19Å; E679-K722 IonicContact OE1-NZ 3.72Å; E679-K722 PolarHBondContact OE1-NZ 2.95Å; E679-R854 IonicContact OE1-CZ 3.24Å; E679-R854 IonicContact OE1-NH1 3.61Å; E679-R854 PolarHBondContact OE1-NH1 3.2Å; E679-R854 IonicContact OE1-NH2 2.79Å; E679-R854 IonicContact OE2-CZ 3.34Å; E679-R854 IonicContact OE2-NH1 3.44Å; E679-R854 IonicContact OE2-NH2 3.68Å; E679-R854 PolarHBondContact OE2-NH2 3Å
680	L	98.7	Very high	98.7	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	12%	0.121	C	C	.	.	S	Bend	trans	-56.8	130.4	172.2	172.6	64.1	0	0	0	109.3	A633 G634 R638 W682 E851	A633-L680 CarbonylContact C-O 3.58Å; A633-L680 WeakPolarHBondContact CA-O 3.27Å; G634-L680 PolarHBondContact N-O 3.42Å; R638-L680 HydrophobicContact CB-CD2 3.99Å; R638-L680 VanDerWaalsContact NH1-CD2 3.3Å; L680-W682 HydrophobicContact CD1-CH2 3.94Å; L680-W682 HydrophobicContact CD1-CZ3 3.84Å; L680-W682 HydrophobicContact CG-CZ3 4.15Å; L680-E851 HydrophobicContact CB-CG 3.97Å
681	G	98.6	Very high	98.7	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	172.2	177.2	0	0	0	0	0	114.4	V632 I674 E679	V632-G681 CarbonylContact O-C 3.54Å; V632-G681 WeakPolarHBondContact O-CA 3.37Å; I674-G681 PolarHBondContact N-O 3.39Å; E679-G681 PolarHBondContact O-N 2.78Å
682	W	98.9	Very high	98.7	Very high	2 Å²	2	28 Å²	28	1%	0.008	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.9	173	-72.3	-103.5	0	0	0	110.5	V632 R638 L641 L649 F654 I672 R673 L680 L684	V632-W682 PolarHBondContact N-O 3.47Å; V632-W682 PolarHBondContact O-N 2.95Å; R638-W682 HydrophobicContact CB-CH2 3.92Å; R638-W682 HydrophobicContact CB-CZ3 3.95Å; R638-W682 HydrophobicContact CG-CH2 4.17Å; L641-W682 HydrophobicContact CD1-CB 4.14Å; L641-W682 HydrophobicContact CD1-CD2 4.17Å; L641-W682 HydrophobicContact CD1-CE3 3.79Å; L641-W682 HydrophobicContact CD1-CG 4.35Å; L649-W682 HydrophobicContact CB-CH2 4.23Å; L649-W682 HydrophobicContact CB-CZ2 4.05Å; F654-W682 AromaticContact CD1-NE1 3.65Å; F654-W682 AromaticContact CD2-NE1 3.82Å; F654-W682 AromaticContact CE1-NE1 3.5Å; F654-W682 AromaticContact CE2-NE1 3.66Å; F654-W682 HydrophobicContact CG-CZ2 4.45Å; F654-W682 AromaticContact CG-NE1 3.82Å; F654-W682 AromaticContact CZ-CD1 3.86Å; F654-W682 AromaticContact CZ-NE1 3.51Å; I672-W682 CarbonylContact O-C 3.54Å; I672-W682 WeakPolarHBondContact O-CA 3.27Å; R673-W682 HydrophobicContact CB-CG 4.46Å; R673-W682 HydrophobicContact CG-CD2 4.27Å; R673-W682 HydrophobicContact CG-CZ2 4Å; L680-W682 HydrophobicContact CD1-CH2 3.94Å; L680-W682 HydrophobicContact CD1-CZ3 3.84Å; L680-W682 HydrophobicContact CG-CZ3 4.15Å; W682-L684 HydrophobicContact CB-CD2 3.98Å
683	E	98.9	Very high	98.7	Very high	13 Å²	13	30.7 Å²	30.7	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.6	160.7	-69.7	175.2	-171.4	0	0	108.6	L534 V629 L630 A671 I672 I674 Y685	L534-E683 HydrophobicContact CD1-CG 4.16Å; V629-E683 HydrophobicContact CG1-CB 4.26Å; L630-E683 WeakPolarHBondContact O-CA 3.39Å; A671-E683 WeakPolarHBondContact CA-O 3.34Å; I672-E683 PolarHBondContact N-O 2.9Å; I672-E683 PolarHBondContact O-N 3.19Å; I674-E683 HydrophobicContact CG2-CB 4.26Å; I674-E683 HydrophobicContact CG2-CG 3.91Å; E683-Y685 HydrophobicContact CB-CD2 4.33Å; E683-Y685 HydrophobicContact CB-CE2 3.6Å; E683-Y685 PolarHBondContact OE2-OH 2.86Å
684	L	98.9	Very high	98.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	99.4	-176	-55.4	-179.5	0	0	0	109.6	V629 L630 V632 L641 A671 W682 H686 L694 I698	V629-L684 WeakPolarHBondContact CA-O 3.48Å; L630-L684 PolarHBondContact N-O 2.93Å; L630-L684 PolarHBondContact O-N 3.44Å; V632-L684 HydrophobicContact CG2-CD1 4.18Å; L641-L684 HydrophobicContact CD2-CD1 3.97Å; A671-L684 HydrophobicContact CB-CD2 3.68Å; W682-L684 HydrophobicContact CB-CD2 3.98Å; L684-H686 PolarHBondContact O-ND1 3.48Å; L684-L694 HydrophobicContact CB-CD2 4.36Å; L684-I698 HydrophobicContact CD1-CD1 3.64Å
685	Y	98.9	Very high	98.7	Very high	6 Å²	6	30.2 Å²	30.2	2%	0.024	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.2	177	-64.3	-97.6	0	0	0	109.4	L592 I594 V629 V669 T670 I672 E683	L592-Y685 HydrophobicContact CD2-CD1 4.21Å; L592-Y685 HydrophobicContact CD2-CG 4.4Å; I594-Y685 HydrophobicContact CD1-CD1 4.18Å; I594-Y685 HydrophobicContact CD1-CE1 3.39Å; I594-Y685 HydrophobicContact CG1-CE1 3.91Å; V629-Y685 HydrophobicContact CB-CE1 4.46Å; V629-Y685 HydrophobicContact CG1-CD1 4.23Å; V629-Y685 HydrophobicContact CG1-CD2 4.49Å; V629-Y685 HydrophobicContact CG1-CE1 3.99Å; V629-Y685 HydrophobicContact CG1-CE2 4.26Å; V629-Y685 HydrophobicContact CG1-CG 4.46Å; V629-Y685 HydrophobicContact CG2-CD1 3.53Å; V629-Y685 HydrophobicContact CG2-CE1 3.55Å; V629-Y685 HydrophobicContact CG2-CG 4.33Å; V669-Y685 CarbonylContact C-O 3.33Å; V669-Y685 WeakPolarHBondContact CA-O 3.4Å; T670-Y685 PolarHBondContact N-O 2.91Å; T670-Y685 PolarHBondContact O-N 3.23Å; I672-Y685 HydrophobicContact CB-CE2 4.47Å; I672-Y685 HydrophobicContact CD1-CD2 4.06Å; I672-Y685 HydrophobicContact CD1-CE2 3.55Å; I672-Y685 HydrophobicContact CG1-CD2 4.11Å; I672-Y685 HydrophobicContact CG1-CE2 3.89Å; E683-Y685 HydrophobicContact CB-CD2 4.33Å; E683-Y685 HydrophobicContact CB-CE2 3.6Å; E683-Y685 PolarHBondContact OE2-OH 2.86Å
686	H	98.9	Very high	98.7	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164.7	-172.2	58.1	-77.8	0	0	0	109.9	L627 G628 V629 V669 L684 S691 L694	L627-H686 CarbonylContact C-O 3.56Å; L627-H686 WeakPolarHBondContact CA-O 3.24Å; L627-H686 WeakPolarHBondContact CB-O 3.24Å; L627-H686 WeakPolarHBondContact CD2-O 3.35Å; G628-H686 PolarHBondContact N-O 3.22Å; G628-H686 PolarHBondContact O-CE1 3.31Å; G628-H686 PolarHBondContact O-N 3.34Å; G628-H686 VanDerWaalsContact O-N 3.12Å; G628-H686 PolarHBondContact O-ND1 3.2Å; V629-H686 PolarHBondContact N-CE1 2.59Å; V669-H686 HydrophobicContact CG1-CB 4.06Å; L684-H686 PolarHBondContact O-ND1 3.48Å; H686-S691 PolarHBondContact CD2-OG 2.85Å; H686-S691 WeakPolarHBondContact NE2-CA 3.5Å; H686-S691 VanDerWaalsContact NE2-CB 3.31Å; H686-S691 WeakPolarHBondContact NE2-CB 3.26Å; H686-S691 PolarHBondContact NE2-OG 2.88Å; H686-L694 HydrophobicContact CB-CD2 3.95Å; H686-L694 WeakPolarHBondContact ND1-CD2 3.35Å
687	R	98.8	Very high	98.7	Very high	152 Å²	152	29.7 Å²	29.7	57%	0.574	15%	0.15	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67	144.1	176.3	-61.2	-169.6	169.7	-154.8	-4.2	110.7	E689 D690	R687-E689 HydrophobicContact CB-CG 4.15Å; R687-E689 WeakPolarHBondContact CB-OE2 3.48Å; R687-E689 WeakPolarHBondContact CD-OE1 3.29Å; R687-E689 IonicContact NH1-OE1 2.8Å; R687-E689 PolarHBondContact NH1-OE1 2.94Å; R687-E689 PolarHBondContact O-N 3.42Å; R687-D690 WeakPolarHBondContact O-CB 3.44Å; R687-D690 PolarHBondContact O-N 3.3Å
688	R	98.6	Very high	98.8	Very high	69 Å²	69	29.7 Å²	29.7	26%	0.26	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-56.9	-32.8	-176.8	179.9	174.8	168.4	-168.6	-4.3	113.1	Q469 V471 D625 E626 D690 S691	Q469-R688 PolarHBondContact O-NH2 2.95Å; Q469-R688 VanDerWaalsContact O-NH2 3.12Å; V471-R688 PolarHBondContact O-NE 2.56Å; V471-R688 PolarHBondContact O-NH2 3.39Å; D625-R688 VanDerWaalsContact O-CD 3.23Å; D625-R688 WeakPolarHBondContact O-CD 3.49Å; E626-R688 PolarHBondContact O-N 2.92Å; R688-D690 VanDerWaalsContact C-N 3.25Å; R688-D690 PolarHBondContact O-N 3.31Å; R688-S691 PolarHBondContact O-N 3.22Å; R688-S691 PolarHBondContact O-OG 2.88Å; R688-S691 VanDerWaalsContact O-OG 3.12Å
689	E	98.4	Very high	98.8	Very high	126 Å²	126	31 Å²	31	59%	0.589	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-65.4	-26.1	175.5	58.5	-93.4	-147.7	0	0	113.7	R687	R687-E689 HydrophobicContact CB-CG 4.15Å; R687-E689 WeakPolarHBondContact CB-OE2 3.48Å; R687-E689 WeakPolarHBondContact CD-OE1 3.29Å; R687-E689 IonicContact NH1-OE1 2.8Å; R687-E689 PolarHBondContact NH1-OE1 2.94Å; R687-E689 PolarHBondContact O-N 3.42Å
690	D	98.8	Very high	98.8	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-87.8	-7.2	-176.6	-65.1	-40.4	0	0	0	113	I667 R687 R688 V692 A693 L694	I667-D690 HydrophobicContact CG2-CB 3.71Å; R687-D690 WeakPolarHBondContact O-CB 3.44Å; R687-D690 PolarHBondContact O-N 3.3Å; R688-D690 VanDerWaalsContact C-N 3.25Å; R688-D690 PolarHBondContact O-N 3.31Å; D690-V692 VanDerWaalsContact C-N 3.35Å; D690-V692 PolarHBondContact O-N 3.26Å; D690-A693 PolarHBondContact O-N 3.41Å; D690-L694 WeakPolarHBondContact O-CB 3.37Å; D690-L694 PolarHBondContact O-N 3.12Å
691	S	98.8	Very high	98.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.3	-41.9	-169.2	-57.7	0	0	0	0	114.1	H686 R688 Y695	H686-S691 PolarHBondContact CD2-OG 2.85Å; H686-S691 WeakPolarHBondContact NE2-CA 3.5Å; H686-S691 VanDerWaalsContact NE2-CB 3.31Å; H686-S691 WeakPolarHBondContact NE2-CB 3.26Å; H686-S691 PolarHBondContact NE2-OG 2.88Å; R688-S691 PolarHBondContact O-N 3.22Å; R688-S691 PolarHBondContact O-OG 2.88Å; R688-S691 VanDerWaalsContact O-OG 3.12Å; S691-Y695 VanDerWaalsContact O-CB 3.24Å; S691-Y695 WeakPolarHBondContact O-CB 3.46Å; S691-Y695 PolarHBondContact O-N 3.2Å
692	V	98.8	Very high	98.8	Very high	41 Å²	41	35.8 Å²	35.8	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-47.8	179.6	179.6	0	0	0	0	110.9	G473 L474 D690 L694 Y695 D696	G473-V692 VanDerWaalsContact O-CG2 3.27Å; G473-V692 WeakPolarHBondContact O-CG2 3.43Å; L474-V692 HydrophobicContact CD2-CG2 4.45Å; D690-V692 VanDerWaalsContact C-N 3.35Å; D690-V692 PolarHBondContact O-N 3.26Å; V692-L694 VanDerWaalsContact C-N 3.33Å; V692-L694 PolarHBondContact O-N 3.34Å; V692-Y695 PolarHBondContact O-N 3.27Å; V692-D696 WeakPolarHBondContact O-CB 3.37Å; V692-D696 PolarHBondContact O-N 3.4Å
693	A	98.8	Very high	98.8	Very high	56 Å²	56	41.9 Å²	41.9	46%	0.463	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-40.1	-178	0	0	0	0	0	111.6	I667 D690 A697	I667-A693 HydrophobicContact CD1-CB 3.77Å; D690-A693 PolarHBondContact O-N 3.41Å; A693-A697 WeakPolarHBondContact O-CB 3.16Å; A693-A697 PolarHBondContact O-N 3.49Å
694	L	98.9	Very high	98.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-48	177	-178	61.7	0	0	0	111.6	L630 V664 I667 V669 L684 H686 D690 V692 A697 I698	L630-L694 HydrophobicContact CD1-CB 4.38Å; L630-L694 HydrophobicContact CD1-CD2 4.06Å; L630-L694 HydrophobicContact CD1-CG 3.98Å; V664-L694 HydrophobicContact CB-CD1 3.72Å; V664-L694 HydrophobicContact CG1-CD1 3.64Å; I667-L694 HydrophobicContact CD1-CB 3.95Å; I667-L694 HydrophobicContact CD1-CD1 4.41Å; V669-L694 HydrophobicContact CG1-CD1 4.24Å; V669-L694 HydrophobicContact CG1-CD2 3.93Å; L684-L694 HydrophobicContact CB-CD2 4.36Å; H686-L694 HydrophobicContact CB-CD2 3.95Å; H686-L694 WeakPolarHBondContact ND1-CD2 3.35Å; D690-L694 WeakPolarHBondContact O-CB 3.37Å; D690-L694 PolarHBondContact O-N 3.12Å; V692-L694 VanDerWaalsContact C-N 3.33Å; V692-L694 PolarHBondContact O-N 3.34Å; L694-A697 PolarHBondContact O-N 3.24Å; L694-I698 HydrophobicContact CD1-CD1 3.94Å; L694-I698 HydrophobicContact CD1-CG1 4.45Å; L694-I698 HydrophobicContact CG-CD1 3.89Å; L694-I698 WeakPolarHBondContact O-CD1 3.49Å; L694-I698 VanDerWaalsContact O-CG1 3.29Å; L694-I698 WeakPolarHBondContact O-CG1 3.41Å; L694-I698 PolarHBondContact O-N 3.19Å
695	Y	98.9	Very high	98.8	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-50.9	176.6	169.7	-94.2	0	0	0	111.8	L474 R477 L478 V531 L630 S691 V692 A697 I698 M699 N709	L474-Y695 VanDerWaalsContact CD2-CB 3.41Å; L474-Y695 HydrophobicContact CD2-CD1 3.88Å; L474-Y695 HydrophobicContact CD2-CD2 4.2Å; L474-Y695 HydrophobicContact CD2-CG 3.57Å; R477-Y695 HydrophobicContact CG-CD1 3.91Å; R477-Y695 HydrophobicContact CG-CE1 3.66Å; L478-Y695 HydrophobicContact CD2-CE1 4.32Å; L478-Y695 HydrophobicContact CD2-CE2 4.17Å; V531-Y695 HydrophobicContact CG1-CD2 3.99Å; V531-Y695 HydrophobicContact CG1-CE2 4.18Å; L630-Y695 HydrophobicContact CD2-CD2 4.4Å; S691-Y695 VanDerWaalsContact O-CB 3.24Å; S691-Y695 WeakPolarHBondContact O-CB 3.46Å; S691-Y695 PolarHBondContact O-N 3.2Å; V692-Y695 PolarHBondContact O-N 3.27Å; Y695-A697 VanDerWaalsContact C-N 3.28Å; Y695-A697 PolarHBondContact O-N 3.47Å; Y695-I698 PolarHBondContact O-N 3.16Å; Y695-I698 VanDerWaalsContact O-N 3.16Å; Y695-M699 HydrophobicContact CD1-CG 4.15Å; Y695-M699 HydrophobicContact CD2-CG 3.99Å; Y695-M699 HydrophobicContact CE1-CG 3.74Å; Y695-M699 HydrophobicContact CE2-CG 3.57Å; Y695-M699 HydrophobicContact CE2-SD 3.9Å; Y695-M699 HydrophobicContact CG-CG 4.26Å; Y695-M699 VanDerWaalsContact CZ-CG 3.43Å; Y695-M699 WeakPolarHBondContact O-CB 3.29Å; Y695-M699 VanDerWaalsContact O-CG 3.31Å; Y695-M699 WeakPolarHBondContact O-CG 3.41Å; Y695-M699 PolarHBondContact O-N 3.3Å; Y695-N709 VanDerWaalsContact CE2-OD1 3.29Å; Y695-N709 WeakPolarHBondContact CE2-OD1 3.25Å; Y695-N709 PolarHBondContact OH-ND2 2.67Å; Y695-N709 VanDerWaalsContact OH-ND2 3.09Å; Y695-N709 PolarHBondContact OH-OD1 3.23Å
696	D	98.9	Very high	98.7	Very high	56 Å²	56	53.8 Å²	53.8	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-39.2	-178.1	-73.7	-15.2	0	0	0	110.8	R477 V692 N700	R477-D696 IonicContact CZ-OD1 2.67Å; R477-D696 IonicContact CZ-OD2 2.76Å; R477-D696 IonicContact NE-OD1 3.66Å; R477-D696 PolarHBondContact NE-OD1 2.91Å; R477-D696 IonicContact NE-OD2 2.93Å; R477-D696 PolarHBondContact NE-OD2 2.97Å; R477-D696 IonicContact NH2-OD1 3.81Å; R477-D696 IonicContact NH2-OD2 2.68Å; R477-D696 PolarHBondContact NH2-OD2 2.73Å; V692-D696 WeakPolarHBondContact O-CB 3.37Å; V692-D696 PolarHBondContact O-N 3.4Å; D696-N700 VanDerWaalsContact O-CB 3.26Å; D696-N700 WeakPolarHBondContact O-CB 3.41Å; D696-N700 PolarHBondContact O-N 2.76Å
697	A	98.9	Very high	98.7	Very high	22 Å²	22	54.5 Å²	54.5	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-43.3	175.8	0	0	0	0	0	113	A693 L694 Y695 A701	A693-A697 WeakPolarHBondContact O-CB 3.16Å; A693-A697 PolarHBondContact O-N 3.49Å; L694-A697 PolarHBondContact O-N 3.24Å; Y695-A697 VanDerWaalsContact C-N 3.28Å; Y695-A697 PolarHBondContact O-N 3.47Å; A697-A701 WeakPolarHBondContact O-CB 3.5Å; A697-A701 PolarHBondContact O-N 2.81Å
698	I	98.9	Very high	98.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-47.7	178.2	-68.2	164.8	0	0	0	110.6	V531 L630 V632 V640 L641 L644 V664 L684 L694 Y695 N700 A701 G702 I707	V531-I698 HydrophobicContact CG2-CG2 3.94Å; L630-I698 HydrophobicContact CD1-CD1 4.18Å; V632-I698 HydrophobicContact CG2-CD1 4.14Å; V632-I698 HydrophobicContact CG2-CG2 4.09Å; V640-I698 HydrophobicContact CG1-CG2 4.41Å; L641-I698 HydrophobicContact CD2-CD1 4.34Å; L641-I698 HydrophobicContact CD2-CG1 4.21Å; L644-I698 HydrophobicContact CD1-CG1 4.01Å; V664-I698 HydrophobicContact CG1-CG1 4.33Å; L684-I698 HydrophobicContact CD1-CD1 3.64Å; L694-I698 HydrophobicContact CD1-CD1 3.94Å; L694-I698 HydrophobicContact CD1-CG1 4.45Å; L694-I698 HydrophobicContact CG-CD1 3.89Å; L694-I698 WeakPolarHBondContact O-CD1 3.49Å; L694-I698 VanDerWaalsContact O-CG1 3.29Å; L694-I698 WeakPolarHBondContact O-CG1 3.41Å; L694-I698 PolarHBondContact O-N 3.19Å; Y695-I698 PolarHBondContact O-N 3.16Å; Y695-I698 VanDerWaalsContact O-N 3.16Å; I698-N700 VanDerWaalsContact C-N 3.3Å; I698-N700 PolarHBondContact O-N 3.23Å; I698-A701 PolarHBondContact O-N 3.35Å; I698-G702 PolarHBondContact O-N 2.94Å; I698-I707 HydrophobicContact CG2-CD1 3.83Å
699	M	98.9	Very high	98.8	Very high	31 Å²	31	46.9 Å²	46.9	15%	0.153	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-41	178.3	-68.7	-57.9	-69.5	0	0	111.6	V531 Y695 Q703 I707	V531-M699 HydrophobicContact CB-SD 4.14Å; V531-M699 HydrophobicContact CG2-SD 3.76Å; Y695-M699 HydrophobicContact CD1-CG 4.15Å; Y695-M699 HydrophobicContact CD2-CG 3.99Å; Y695-M699 HydrophobicContact CE1-CG 3.74Å; Y695-M699 HydrophobicContact CE2-CG 3.57Å; Y695-M699 HydrophobicContact CE2-SD 3.9Å; Y695-M699 HydrophobicContact CG-CG 4.26Å; Y695-M699 VanDerWaalsContact CZ-CG 3.43Å; Y695-M699 WeakPolarHBondContact O-CB 3.29Å; Y695-M699 VanDerWaalsContact O-CG 3.31Å; Y695-M699 WeakPolarHBondContact O-CG 3.41Å; Y695-M699 PolarHBondContact O-N 3.3Å; M699-Q703 WeakPolarHBondContact O-CG 3.49Å; M699-I707 HydrophobicContact CE-CG2 4.17Å; M699-I707 VanDerWaalsContact O-CG2 3.24Å; M699-I707 WeakPolarHBondContact O-CG2 3.4Å; M699-I707 HydrophobicContact SD-CD1 4.31Å; M699-I707 HydrophobicContact SD-CG1 4.05Å; M699-I707 HydrophobicContact SD-CG2 4.2Å
700	N	98.9	Very high	98.8	Very high	106 Å²	106	41 Å²	41	57%	0.567	22%	0.219	S	C	*	.	H	α-helix	trans	-66.7	-43.8	177.1	-172.3	70.6	0	0	0	112.4	D696 I698 G702 Q703	D696-N700 VanDerWaalsContact O-CB 3.26Å; D696-N700 WeakPolarHBondContact O-CB 3.41Å; D696-N700 PolarHBondContact O-N 2.76Å; I698-N700 VanDerWaalsContact C-N 3.3Å; I698-N700 PolarHBondContact O-N 3.23Å; N700-G702 VanDerWaalsContact C-N 3.28Å; N700-G702 PolarHBondContact O-N 3.41Å; N700-Q703 WeakPolarHBondContact O-CG 3.22Å; N700-Q703 PolarHBondContact O-N 2.91Å
701	A	98.8	Very high	98.8	Very high	16 Å²	16	39 Å²	39	13%	0.132	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-27	-179.4	0	0	0	0	0	114	V640 K643 L644 A697 I698	V640-A701 HydrophobicContact CG1-CB 4.26Å; K643-A701 PolarHBondContact NZ-O 2.68Å; L644-A701 HydrophobicContact CD1-CB 3.75Å; L644-A701 HydrophobicContact CD2-CB 3.58Å; L644-A701 HydrophobicContact CG-CB 3.71Å; A697-A701 WeakPolarHBondContact O-CB 3.5Å; A697-A701 PolarHBondContact O-N 2.81Å; I698-A701 PolarHBondContact O-N 3.35Å
702	G	98.8	Very high	98.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	4.2	-179.1	0	0	0	0	0	115.3	I698 N700 E704 E705 E706 I707	I698-G702 PolarHBondContact O-N 2.94Å; N700-G702 VanDerWaalsContact C-N 3.28Å; N700-G702 PolarHBondContact O-N 3.41Å; G702-E704 VanDerWaalsContact C-N 3.29Å; G702-E704 PolarHBondContact O-N 3.09Å; G702-E705 CarbonylContact O-C 3.48Å; G702-E705 WeakPolarHBondContact O-CA 3.44Å; G702-E705 PolarHBondContact O-N 2.93Å; G702-E706 PolarHBondContact O-N 3.37Å; G702-E706 VanDerWaalsContact O-N 3.16Å; G702-I707 WeakPolarHBondContact O-CB 3.34Å; G702-I707 WeakPolarHBondContact O-CG2 3.43Å; G702-I707 PolarHBondContact O-N 3.3Å
703	Q	98.6	Very high	98.8	Very high	131 Å²	131	40.1 Å²	40.1	61%	0.612	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-57.6	-40.1	-179	-73.8	-176.7	-2.5	0	0	112.6	M699 N700 E705 E706	M699-Q703 WeakPolarHBondContact O-CG 3.49Å; N700-Q703 WeakPolarHBondContact O-CG 3.22Å; N700-Q703 PolarHBondContact O-N 2.91Å; Q703-E705 PolarHBondContact O-N 2.61Å; Q703-E706 WeakPolarHBondContact O-CA 3.31Å; Q703-E706 PolarHBondContact O-N 3.35Å
704	E	98.1	Very high	98.8	Very high	153 Å²	153	37.4 Å²	37.4	72%	0.715	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-64.3	-27.5	176.8	-65.6	176.7	162.4	0	0	112.9	K643 G702 E706	K643-E704 IonicContact NZ-OE2 3.29Å; K643-E704 PolarHBondContact NZ-OE2 3.36Å; G702-E704 VanDerWaalsContact C-N 3.29Å; G702-E704 PolarHBondContact O-N 3.09Å; E704-E706 VanDerWaalsContact C-N 3.3Å
705	E	98.6	Very high	98.8	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.037	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-91.7	5	176.1	-67.9	72.6	-155	0	0	112.4	V529 Q636 K639 V640 K643 G702 Q703	V529-E705 HydrophobicContact CG1-CB 4.15Å; Q636-E705 HydrophobicContact CB-CB 4.05Å; Q636-E705 HydrophobicContact CB-CG 4Å; Q636-E705 HydrophobicContact CG-CB 4.29Å; Q636-E705 HydrophobicContact CG-CG 4.26Å; K639-E705 HydrophobicContact CD-CG 3.99Å; K639-E705 VanDerWaalsContact CD-OE1 3.28Å; K639-E705 WeakPolarHBondContact CD-OE1 3.22Å; K639-E705 WeakPolarHBondContact CE-OE1 3.37Å; K639-E705 IonicContact NZ-OE1 3.57Å; K639-E705 PolarHBondContact NZ-OE1 3.44Å; V640-E705 HydrophobicContact CG2-CB 4.01Å; V640-E705 HydrophobicContact CG2-CG 3.99Å; K643-E705 IonicContact NZ-OE1 2.69Å; K643-E705 PolarHBondContact NZ-OE1 2.91Å; K643-E705 IonicContact NZ-OE2 3.82Å; K643-E705 PolarHBondContact NZ-OE2 2.82Å; G702-E705 CarbonylContact O-C 3.48Å; G702-E705 WeakPolarHBondContact O-CA 3.44Å; G702-E705 PolarHBondContact O-N 2.93Å; Q703-E705 PolarHBondContact O-N 2.61Å
706	E	98.4	Very high	98.8	Very high	109 Å²	109	40.1 Å²	40.1	51%	0.509	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	50	-174.7	-58.7	173.3	-123.9	0	0	111.8	Q524 R528 G702 Q703 E704	Q524-E706 PolarHBondContact NE2-O 3.15Å; R528-E706 IonicContact CZ-OE1 2.91Å; R528-E706 IonicContact CZ-OE2 3.56Å; R528-E706 IonicContact NE-OE2 2.96Å; R528-E706 IonicContact NH1-OE1 3.32Å; R528-E706 PolarHBondContact NH1-OE1 3.44Å; R528-E706 IonicContact NH1-OE2 2.66Å; R528-E706 PolarHBondContact NH1-OE2 3.44Å; R528-E706 IonicContact NH2-OE1 3.52Å; R528-E706 PolarHBondContact NH2-OE1 2.71Å; R528-E706 IonicContact NH2-OE2 2.73Å; R528-E706 PolarHBondContact NH2-OE2 2.81Å; G702-E706 PolarHBondContact O-N 3.37Å; G702-E706 VanDerWaalsContact O-N 3.16Å; Q703-E706 WeakPolarHBondContact O-CA 3.31Å; Q703-E706 PolarHBondContact O-N 3.35Å; E704-E706 VanDerWaalsContact C-N 3.3Å
707	I	98.8	Very high	98.8	Very high	18 Å²	18	37.5 Å²	37.5	9%	0.092	19%	0.191	C	C	.	.			trans	-58.4	140.2	173.6	-165.6	161	0	0	0	111.5	V529 V531 V640 I698 M699 G702	V529-I707 HydrophobicContact CG1-CB 3.82Å; V529-I707 HydrophobicContact CG1-CD1 4.12Å; V529-I707 HydrophobicContact CG1-CG1 3.84Å; V529-I707 HydrophobicContact CG2-CD1 3.97Å; V529-I707 HydrophobicContact CG2-CG1 4.21Å; V531-I707 HydrophobicContact CG2-CD1 3.55Å; V531-I707 HydrophobicContact CG2-CG1 3.86Å; V640-I707 HydrophobicContact CG1-CD1 4.18Å; I698-I707 HydrophobicContact CG2-CD1 3.83Å; M699-I707 HydrophobicContact CE-CG2 4.17Å; M699-I707 VanDerWaalsContact O-CG2 3.24Å; M699-I707 WeakPolarHBondContact O-CG2 3.4Å; M699-I707 HydrophobicContact SD-CD1 4.31Å; M699-I707 HydrophobicContact SD-CG1 4.05Å; M699-I707 HydrophobicContact SD-CG2 4.2Å; G702-I707 WeakPolarHBondContact O-CB 3.34Å; G702-I707 WeakPolarHBondContact O-CG2 3.43Å; G702-I707 PolarHBondContact O-N 3.3Å
708	D	98.9	Very high	98.8	Very high	52 Å²	52	36.5 Å²	36.5	28%	0.278	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	172.7	175.4	-162.2	8.2	0	0	0	110.3	K498 Q524 V529 G530 V531	K498-D708 IonicContact NZ-OD2 4Å; K498-D708 PolarHBondContact NZ-OD2 3.45Å; Q524-D708 HydrophobicContact CG-CB 4.01Å; V529-D708 PolarHBondContact O-N 3.34Å; G530-D708 CarbonylContact C-O 3.54Å; G530-D708 VanDerWaalsContact CA-O 3.24Å; G530-D708 WeakPolarHBondContact CA-O 3.19Å; V531-D708 PolarHBondContact N-O 2.99Å
709	N	98.9	Very high	98.8	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.053	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	157.2	180	-63.7	-56.5	0	0	0	112.9	F496 V531 Y695	F496-N709 HydrophobicContact CD1-CB 3.56Å; F496-N709 HydrophobicContact CD2-CB 3.77Å; F496-N709 HydrophobicContact CE1-CB 3.4Å; F496-N709 VanDerWaalsContact CE1-CB 3.4Å; F496-N709 HydrophobicContact CE2-CB 3.62Å; F496-N709 HydrophobicContact CG-CB 3.75Å; F496-N709 HydrophobicContact CZ-CB 3.44Å; F496-N709 VanDerWaalsContact CZ-CB 3.44Å; V531-N709 CarbonylContact O-C 3.6Å; V531-N709 WeakPolarHBondContact O-CA 3.43Å; Y695-N709 VanDerWaalsContact CE2-OD1 3.29Å; Y695-N709 WeakPolarHBondContact CE2-OD1 3.25Å; Y695-N709 PolarHBondContact OH-ND2 2.67Å; Y695-N709 VanDerWaalsContact OH-ND2 3.09Å; Y695-N709 PolarHBondContact OH-OD1 3.23Å
710	F	98.9	Very high	98.8	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	18%	0.177	C	C	.	.			trans	-146.4	148	165.1	74.5	-75.1	0	0	0	112.4	F496 E521 V525 G530 V531 T532 T677 A714 M715 L718	F496-F710 VanDerWaalsContact CE2-C 3.46Å; E521-F710 HydrophobicContact CB-CB 3.92Å; E521-F710 HydrophobicContact CG-CB 4.15Å; E521-F710 VanDerWaalsContact OE2-CA 3.27Å; E521-F710 WeakPolarHBondContact OE2-CA 3.13Å; V525-F710 HydrophobicContact CG2-CB 4.24Å; V525-F710 HydrophobicContact CG2-CD1 3.7Å; V525-F710 HydrophobicContact CG2-CD2 3.93Å; V525-F710 HydrophobicContact CG2-CE1 3.92Å; V525-F710 HydrophobicContact CG2-CE2 4.13Å; V525-F710 HydrophobicContact CG2-CG 3.69Å; V525-F710 HydrophobicContact CG2-CZ 4.12Å; G530-F710 VanDerWaalsContact C-CE1 3.47Å; V531-F710 WeakPolarHBondContact O-CD1 3.38Å; V531-F710 PolarHBondContact O-N 2.91Å; T532-F710 VanDerWaalsContact CB-CE1 3.47Å; T532-F710 VanDerWaalsContact CB-CZ 3.5Å; T532-F710 WeakPolarHBondContact CB-O 3.4Å; T532-F710 HydrophobicContact CG2-CD1 4.46Å; T532-F710 HydrophobicContact CG2-CE1 3.64Å; T532-F710 HydrophobicContact CG2-CE2 3.83Å; T532-F710 HydrophobicContact CG2-CZ 3.28Å; T532-F710 PolarHBondContact OG1-O 3.15Å; T677-F710 HydrophobicContact CG2-CE2 3.94Å; T677-F710 HydrophobicContact CG2-CZ 3.94Å; F710-A714 HydrophobicContact CB-CB 4.34Å; F710-A714 HydrophobicContact CD2-CB 4.36Å; F710-M715 HydrophobicContact CE2-CB 4.39Å; F710-M715 HydrophobicContact CE2-CE 3.54Å; F710-M715 HydrophobicContact CE2-SD 4.23Å; F710-M715 HydrophobicContact CZ-CE 3.86Å; F710-L718 HydrophobicContact CE2-CD1 4.39Å
711	G	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.			trans	-104.6	-176.5	-176.2	0	0	0	0	0	114.3	P493 H494 E521 Y713 A714 M715	P493-G711 VanDerWaalsContact O-CA 3.23Å; P493-G711 WeakPolarHBondContact O-CA 3.45Å; H494-G711 CarbonylContact O-C 3.5Å; H494-G711 WeakPolarHBondContact O-CA 3.35Å; E521-G711 PolarHBondContact OE2-N 3.46Å; G711-Y713 VanDerWaalsContact C-N 3.28Å; G711-Y713 PolarHBondContact O-N 3Å; G711-A714 PolarHBondContact O-N 2.91Å; G711-M715 PolarHBondContact O-N 2.88Å
712	T	98.9	Very high	98.8	Very high	33 Å²	33	29.9 Å²	29.9	20%	0.202	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-27.3	-176.8	60.7	0	0	0	0	113.5	Q492 P493 H494 M715 N716	Q492-T712 HydrophobicContact CG-CG2 4.04Å; P493-T712 PolarHBondContact O-N 3.08Å; H494-T712 PolarHBondContact CD2-OG1 3.29Å; H494-T712 PolarHBondContact O-N 3.11Å; H494-T712 VanDerWaalsContact O-N 3.15Å; T712-M715 WeakPolarHBondContact O-CB 3.25Å; T712-M715 PolarHBondContact O-N 3.35Å; T712-N716 PolarHBondContact O-N 3.4Å
713	Y	98.9	Very high	98.8	Very high	30 Å²	30	30.2 Å²	30.2	12%	0.118	15%	0.148	C	C	.	.	H	α-helix	trans	-69.3	-43.1	177.8	-70.6	3.5	0	0	0	111.5	H494 W495 W514 V518 G711 M715 N716 A717	H494-Y713 HydrophobicContact CB-CD1 4.15Å; H494-Y713 HydrophobicContact CB-CD2 4.34Å; H494-Y713 HydrophobicContact CB-CE1 3.9Å; H494-Y713 HydrophobicContact CB-CE2 4.09Å; H494-Y713 HydrophobicContact CB-CG 4.37Å; H494-Y713 AromaticContact CD2-CE1 3.8Å; H494-Y713 PolarHBondContact CE1-OH 3.35Å; H494-Y713 AromaticContact CG-CE1 3.65Å; H494-Y713 AromaticContact CG-CZ 3.72Å; H494-Y713 AromaticContact ND1-CE1 3.89Å; H494-Y713 AromaticContact ND1-CZ 3.6Å; H494-Y713 PolarHBondContact ND1-OH 3.43Å; H494-Y713 WeakPolarHBondContact O-CB 3.42Å; H494-Y713 PolarHBondContact O-N 3.47Å; W495-Y713 HydrophobicContact CB-CD2 4.44Å; W495-Y713 AromaticContact CD1-CD2 3.91Å; W495-Y713 AromaticContact CD1-CE2 3.91Å; W495-Y713 HydrophobicContact CG-CD2 4.48Å; W514-Y713 AromaticContact CD1-CE2 3.99Å; W514-Y713 AromaticContact CD2-CD2 3.82Å; W514-Y713 HydrophobicContact CD2-CD2 3.82Å; W514-Y713 AromaticContact CD2-CE2 4Å; W514-Y713 HydrophobicContact CD2-CE2 4Å; W514-Y713 AromaticContact CE2-CE2 3.95Å; W514-Y713 HydrophobicContact CE3-CD2 4.04Å; W514-Y713 HydrophobicContact CG-CD2 4.06Å; W514-Y713 HydrophobicContact CG-CE2 4.06Å; W514-Y713 AromaticContact NE1-CE2 3.89Å; V518-Y713 HydrophobicContact CG2-CD2 4.26Å; V518-Y713 HydrophobicContact CG2-CG 4.46Å; G711-Y713 VanDerWaalsContact C-N 3.28Å; G711-Y713 PolarHBondContact O-N 3Å; Y713-M715 VanDerWaalsContact C-N 3.35Å; Y713-N716 PolarHBondContact O-N 3.4Å; Y713-A717 PolarHBondContact O-N 2.91Å
714	A	98.9	Very high	98.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-39.8	172.2	0	0	0	0	0	111.6	V518 E521 F710 G711 N716 A717 L718	V518-A714 HydrophobicContact CG1-CB 4.21Å; E521-A714 HydrophobicContact CB-CB 3.55Å; E521-A714 WeakPolarHBondContact OE2-CB 3.06Å; F710-A714 HydrophobicContact CB-CB 4.34Å; F710-A714 HydrophobicContact CD2-CB 4.36Å; G711-A714 PolarHBondContact O-N 2.91Å; A714-N716 VanDerWaalsContact C-N 3.31Å; A714-N716 PolarHBondContact O-N 3.25Å; A714-A717 PolarHBondContact O-N 2.99Å; A714-L718 WeakPolarHBondContact O-CD1 3.34Å; A714-L718 VanDerWaalsContact O-CG 3.32Å; A714-L718 WeakPolarHBondContact O-CG 3.1Å; A714-L718 PolarHBondContact O-N 3.14Å
715	M	98.9	Very high	98.8	Very high	17 Å²	17	21.3 Å²	21.3	8%	0.084	10%	0.104	C	C	.	.	H	α-helix	trans	-57.1	-42.8	173.4	-175.9	67.1	81.8	0	0	112.1	T532 L534 Y676 T677 F710 G711 T712 Y713 A717 L718 R719	T532-M715 HydrophobicContact CG2-CE 3.86Å; L534-M715 HydrophobicContact CD2-CE 4.32Å; Y676-M715 HydrophobicContact CD1-CG 3.97Å; Y676-M715 HydrophobicContact CD1-SD 4.06Å; Y676-M715 HydrophobicContact CG-SD 4.46Å; T677-M715 HydrophobicContact CG2-CE 3.9Å; T677-M715 HydrophobicContact CG2-SD 3.52Å; T677-M715 VanDerWaalsContact CG2-SD 3.52Å; F710-M715 HydrophobicContact CE2-CB 4.39Å; F710-M715 HydrophobicContact CE2-CE 3.54Å; F710-M715 HydrophobicContact CE2-SD 4.23Å; F710-M715 HydrophobicContact CZ-CE 3.86Å; G711-M715 PolarHBondContact O-N 2.88Å; T712-M715 WeakPolarHBondContact O-CB 3.25Å; T712-M715 PolarHBondContact O-N 3.35Å; Y713-M715 VanDerWaalsContact C-N 3.35Å; M715-A717 PolarHBondContact O-N 2.94Å; M715-L718 PolarHBondContact O-N 3.43Å; M715-R719 WeakPolarHBondContact O-CB 3.38Å; M715-R719 WeakPolarHBondContact O-CG 3.39Å; M715-R719 PolarHBondContact O-N 3.32Å
716	N	98.9	Very high	98.8	Very high	49 Å²	49	22 Å²	22	26%	0.262	11%	0.11	S	C	.	.	H	α-helix	trans	-63.9	-40.3	178.4	-175.6	52	0	0	0	112.4	T712 Y713 A714 R719 L720 G803	T712-N716 PolarHBondContact O-N 3.4Å; Y713-N716 PolarHBondContact O-N 3.4Å; A714-N716 VanDerWaalsContact C-N 3.31Å; A714-N716 PolarHBondContact O-N 3.25Å; N716-R719 WeakPolarHBondContact O-CG 3.39Å; N716-R719 PolarHBondContact OD1-NE 3.3Å; N716-R719 PolarHBondContact OD1-NH2 3.06Å; N716-L720 WeakPolarHBondContact O-CB 3.33Å; N716-L720 WeakPolarHBondContact O-CG 3.44Å; N716-L720 PolarHBondContact O-N 3.37Å; N716-G803 PolarHBondContact ND2-O 3.2Å
717	A	98.9	Very high	98.9	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-46.2	174.2	0	0	0	0	0	111.6	Y522 Y713 A714 M715 L720 E721 Y807	Y522-A717 HydrophobicContact CD2-CB 4.41Å; Y713-A717 PolarHBondContact O-N 2.91Å; A714-A717 PolarHBondContact O-N 2.99Å; M715-A717 PolarHBondContact O-N 2.94Å; A717-L720 PolarHBondContact O-N 2.92Å; A717-E721 PolarHBondContact O-N 2.84Å; A717-Y807 HydrophobicContact CB-CD2 4.35Å; A717-Y807 HydrophobicContact CB-CE2 4.18Å
718	L	98.9	Very high	98.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-48.6	-179.8	-71.2	160.2	0	0	0	112.2	Y522 V525 M526 T677 F710 A714 M715 L720 E721 K722	Y522-L718 HydrophobicContact CD2-CD2 3.5Å; Y522-L718 HydrophobicContact CD2-CG 3.82Å; Y522-L718 HydrophobicContact CE2-CD2 3.61Å; Y522-L718 HydrophobicContact CE2-CG 4.28Å; Y522-L718 HydrophobicContact CG-CD2 4.4Å; V525-L718 HydrophobicContact CB-CD1 3.85Å; V525-L718 HydrophobicContact CB-CD2 4.37Å; V525-L718 HydrophobicContact CG1-CD1 3.87Å; V525-L718 HydrophobicContact CG1-CD2 4.28Å; V525-L718 HydrophobicContact CG2-CD1 3.92Å; M526-L718 HydrophobicContact CG-CD2 3.77Å; M526-L718 HydrophobicContact SD-CD2 3.6Å; T677-L718 HydrophobicContact CG2-CB 4.49Å; T677-L718 HydrophobicContact CG2-CD1 3.83Å; F710-L718 HydrophobicContact CE2-CD1 4.39Å; A714-L718 WeakPolarHBondContact O-CD1 3.34Å; A714-L718 VanDerWaalsContact O-CG 3.32Å; A714-L718 WeakPolarHBondContact O-CG 3.1Å; A714-L718 PolarHBondContact O-N 3.14Å; M715-L718 PolarHBondContact O-N 3.43Å; L718-L720 VanDerWaalsContact C-N 3.32Å; L718-L720 PolarHBondContact O-N 3.08Å; L718-E721 PolarHBondContact O-N 3.02Å; L718-K722 WeakPolarHBondContact O-CG 3.09Å; L718-K722 PolarHBondContact O-N 2.95Å
719	R	98.8	Very high	98.8	Very high	6 Å²	6	19.4 Å²	19.4	2%	0.023	11%	0.11	C	C	.	.	H	α-helix	trans	-66.8	-33.6	-177.5	74.8	86	-176.8	-173.2	-2.5	112.3	Y676 M715 N716 K722 A723 F724 E730 S802	Y676-R719 HydrophobicContact CD1-CB 3.79Å; Y676-R719 HydrophobicContact CD1-CG 4.13Å; Y676-R719 HydrophobicContact CE1-CB 3.57Å; Y676-R719 HydrophobicContact CE1-CG 3.5Å; Y676-R719 HydrophobicContact CE2-CB 4.36Å; Y676-R719 HydrophobicContact CG-CB 4.29Å; Y676-R719 WeakPolarHBondContact O-CB 3.28Å; M715-R719 WeakPolarHBondContact O-CB 3.38Å; M715-R719 WeakPolarHBondContact O-CG 3.39Å; M715-R719 PolarHBondContact O-N 3.32Å; N716-R719 WeakPolarHBondContact O-CG 3.39Å; N716-R719 PolarHBondContact OD1-NE 3.3Å; N716-R719 PolarHBondContact OD1-NH2 3.06Å; R719-K722 CarbonylContact O-C 3.02Å; R719-K722 PolarHBondContact O-N 3.02Å; R719-A723 PolarHBondContact O-N 2.89Å; R719-F724 HydrophobicContact CB-CB 4.22Å; R719-F724 HydrophobicContact CB-CD2 4.41Å; R719-F724 VanDerWaalsContact CD-O 3.31Å; R719-F724 WeakPolarHBondContact CD-O 3.46Å; R719-F724 PolarHBondContact NH1-O 3.38Å; R719-F724 PolarHBondContact O-N 3.41Å; R719-E730 IonicContact CZ-OE2 2.93Å; R719-E730 IonicContact NH1-OE2 2.99Å; R719-E730 PolarHBondContact NH1-OE2 3.03Å; R719-E730 IonicContact NH2-OE2 2.97Å; R719-S802 PolarHBondContact NH2-OG 3.37Å
720	L	98.8	Very high	98.8	Very high	3 Å²	3	19 Å²	19	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-67.3	-40.8	179.2	-83.4	171.7	0	0	0	111.6	N716 A717 L718 K722 A723 G803 S804 L813 F815	N716-L720 WeakPolarHBondContact O-CB 3.33Å; N716-L720 WeakPolarHBondContact O-CG 3.44Å; N716-L720 PolarHBondContact O-N 3.37Å; A717-L720 PolarHBondContact O-N 2.92Å; L718-L720 VanDerWaalsContact C-N 3.32Å; L718-L720 PolarHBondContact O-N 3.08Å; L720-K722 PolarHBondContact O-N 3.33Å; L720-A723 WeakPolarHBondContact O-CA 3.25Å; L720-A723 PolarHBondContact O-N 2.79Å; L720-G803 VanDerWaalsContact CD1-C 3.42Å; L720-S804 VanDerWaalsContact CD1-OG 3.28Å; L720-S804 WeakPolarHBondContact CD1-OG 3.28Å; L720-L813 HydrophobicContact CB-CD1 4.5Å; L720-F815 HydrophobicContact CD2-CD2 3.36Å; L720-F815 HydrophobicContact CD2-CE2 3.7Å; L720-F815 HydrophobicContact CD2-CG 4.38Å
721	E	98.8	Very high	98.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63	-31.3	174.7	-67.3	-166.8	163.7	0	0	112.7	Y522 A717 L718 A723 S806 S808 L813 L847 V848	Y522-E721 WeakPolarHBondContact CE2-OE2 3.26Å; Y522-E721 PolarHBondContact OH-OE1 3.02Å; Y522-E721 PolarHBondContact OH-OE2 3.27Å; A717-E721 PolarHBondContact O-N 2.84Å; L718-E721 PolarHBondContact O-N 3.02Å; E721-A723 PolarHBondContact O-N 2.84Å; E721-S806 PolarHBondContact OE1-OG 2.8Å; E721-S808 WeakPolarHBondContact OE1-CB 3.34Å; E721-S808 PolarHBondContact OE1-OG 2.78Å; E721-L813 HydrophobicContact CG-CD1 3.86Å; E721-L847 HydrophobicContact CG-CD2 4.18Å; E721-L847 PolarHBondContact O-N 3.25Å; E721-V848 HydrophobicContact CB-CB 4.18Å; E721-V848 HydrophobicContact CB-CG2 4.04Å; E721-V848 PolarHBondContact O-N 2.93Å; E721-V848 WeakPolarHBondContact OE2-CG2 3.45Å
722	K	98.8	Very high	98.8	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.022	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-0.8	173.7	-56.9	-53.2	-166.4	-60.3	0	113.5	T677 E679 L718 R719 L720 F724 P846 V848 T850	T677-K722 WeakPolarHBondContact O-CE 3.36Å; T677-K722 VanDerWaalsContact O-CG 3.29Å; T677-K722 WeakPolarHBondContact O-CG 3.37Å; T677-K722 PolarHBondContact O-NZ 2.88Å; E679-K722 WeakPolarHBondContact OE1-CE 3.19Å; E679-K722 IonicContact OE1-NZ 3.72Å; E679-K722 PolarHBondContact OE1-NZ 2.95Å; L718-K722 WeakPolarHBondContact O-CG 3.09Å; L718-K722 PolarHBondContact O-N 2.95Å; R719-K722 CarbonylContact O-C 3.02Å; R719-K722 PolarHBondContact O-N 3.02Å; L720-K722 PolarHBondContact O-N 3.33Å; K722-F724 HydrophobicContact CB-CD1 3.92Å; K722-F724 HydrophobicContact CB-CD2 4.03Å; K722-F724 HydrophobicContact CB-CE1 3.88Å; K722-F724 HydrophobicContact CB-CE2 3.99Å; K722-F724 HydrophobicContact CB-CG 4.01Å; K722-F724 HydrophobicContact CB-CZ 3.92Å; K722-F724 HydrophobicContact CG-CE2 4.41Å; K722-F724 HydrophobicContact CG-CZ 4.5Å; K722-F724 WeakPolarHBondContact O-CD1 3.49Å; K722-F724 PolarHBondContact O-N 2.89Å; K722-P846 WeakPolarHBondContact O-CB 3.42Å; K722-V848 HydrophobicContact CD-CB 4.21Å; K722-V848 HydrophobicContact CD-CG1 4.26Å; K722-V848 WeakPolarHBondContact CD-O 3.44Å; K722-T850 HydrophobicContact CB-CG2 4.28Å; K722-T850 HydrophobicContact CD-CG2 4.06Å; K722-T850 HydrophobicContact CG-CG2 4.36Å
723	A	98.6	Very high	98.8	Very high	7 Å²	7	18.2 Å²	18.2	6%	0.058	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	38.1	-173.4	0	0	0	0	0	113	R719 L720 E721 R725 F815 Q845 P846	R719-A723 PolarHBondContact O-N 2.89Å; L720-A723 WeakPolarHBondContact O-CA 3.25Å; L720-A723 PolarHBondContact O-N 2.79Å; E721-A723 PolarHBondContact O-N 2.84Å; A723-R725 PolarHBondContact O-NH1 2.79Å; A723-F815 VanDerWaalsContact CA-CZ 3.48Å; A723-F815 HydrophobicContact CB-CE1 4.34Å; A723-F815 HydrophobicContact CB-CZ 3.77Å; A723-Q845 HydrophobicContact CB-CB 3.92Å; A723-Q845 HydrophobicContact CB-CG 4.05Å; A723-P846 HydrophobicContact CB-CB 3.94Å
724	F	98.8	Very high	98.8	Very high	58 Å²	58	18.7 Å²	18.7	25%	0.254	11%	0.107	S	C	.	.			trans	-80.8	129.8	171.8	-64.7	-14.6	0	0	0	110.1	Y676 R719 K722 F815 T850	Y676-F724 HydrophobicContact CD2-CB 4.33Å; Y676-F724 AromaticContact CD2-CD2 3.85Å; Y676-F724 HydrophobicContact CD2-CD2 3.85Å; Y676-F724 HydrophobicContact CE2-CB 3.67Å; Y676-F724 HydrophobicContact CE2-CD2 4.07Å; Y676-F724 HydrophobicContact CE2-CG 4.31Å; Y676-F724 VanDerWaalsContact O-CD2 3.28Å; Y676-F724 WeakPolarHBondContact O-CD2 3.12Å; R719-F724 HydrophobicContact CB-CB 4.22Å; R719-F724 HydrophobicContact CB-CD2 4.41Å; R719-F724 VanDerWaalsContact CD-O 3.31Å; R719-F724 WeakPolarHBondContact CD-O 3.46Å; R719-F724 PolarHBondContact NH1-O 3.38Å; R719-F724 PolarHBondContact O-N 3.41Å; K722-F724 HydrophobicContact CB-CD1 3.92Å; K722-F724 HydrophobicContact CB-CD2 4.03Å; K722-F724 HydrophobicContact CB-CE1 3.88Å; K722-F724 HydrophobicContact CB-CE2 3.99Å; K722-F724 HydrophobicContact CB-CG 4.01Å; K722-F724 HydrophobicContact CB-CZ 3.92Å; K722-F724 HydrophobicContact CG-CE2 4.41Å; K722-F724 HydrophobicContact CG-CZ 4.5Å; K722-F724 WeakPolarHBondContact O-CD1 3.49Å; K722-F724 PolarHBondContact O-N 2.89Å; F724-F815 WeakPolarHBondContact O-CE2 3.35Å; F724-T850 HydrophobicContact CE1-CG2 3.73Å; F724-T850 HydrophobicContact CZ-CG2 3.49Å; F724-T850 VanDerWaalsContact CZ-CG2 3.49Å
725	R	98.8	Very high	98.8	Very high	40 Å²	40	19 Å²	19	15%	0.151	11%	0.108	C	C	.	.			trans	-79.9	144.2	178.4	-72.4	72	171	151.2	8.3	108.9	Y676 A723 E730 M731 A740 L742 L772	Y676-R725 PolarHBondContact OH-O 3.03Å; Y676-R725 VanDerWaalsContact OH-O 3.04Å; A723-R725 PolarHBondContact O-NH1 2.79Å; R725-E730 HydrophobicContact CB-CB 3.77Å; R725-E730 HydrophobicContact CB-CG 4.17Å; R725-E730 HydrophobicContact CG-CB 3.71Å; R725-E730 HydrophobicContact CG-CG 3.95Å; R725-M731 HydrophobicContact CB-CE 3.94Å; R725-M731 HydrophobicContact CB-SD 3.65Å; R725-M731 HydrophobicContact CG-SD 4.47Å; R725-A740 PolarHBondContact NE-O 2.7Å; R725-A740 PolarHBondContact NH2-O 3.2Å; R725-L742 HydrophobicContact CB-CD2 4.33Å; R725-L742 HydrophobicContact CG-CD2 4.08Å; R725-L772 HydrophobicContact CG-CD2 3.86Å
726	A	98.8	Very high	98.8	Very high	21 Å²	21	18.8 Å²	18.8	17%	0.174	11%	0.108	C	C	.	.			trans	-109.1	128	170.4	0	0	0	0	0	110	S729 E730 M731	A726-S729 PolarHBondContact O-N 2.6Å; A726-S729 VanDerWaalsContact O-N 3.11Å; A726-E730 PolarHBondContact N-OE2 2.94Å; A726-E730 PolarHBondContact O-N 2.89Å; A726-M731 VanDerWaalsContact C-SD 3.54Å; A726-M731 VanDerWaalsContact O-SD 3.39Å
727	W	98.8	Very high	98.8	Very high	39 Å²	39	16.5 Å²	16.5	15%	0.148	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-62.3	139.6	171.1	-171.1	90.6	0	0	0	110.1	I425 V577 Y578 E580 S599 H602 S729 M731 N732	I425-W727 HydrophobicContact CB-CH2 4.21Å; I425-W727 HydrophobicContact CD1-CH2 3.38Å; I425-W727 HydrophobicContact CD1-CZ3 3.59Å; I425-W727 HydrophobicContact CG1-CH2 4.35Å; I425-W727 HydrophobicContact CG2-CH2 4.12Å; I425-W727 HydrophobicContact CG2-CZ3 4.32Å; V577-W727 PolarHBondContact O-NE1 2.99Å; V577-W727 VanDerWaalsContact O-NE1 3.15Å; Y578-W727 WeakPolarHBondContact O-CZ2 3.35Å; Y578-W727 PolarHBondContact O-NE1 2.93Å; E580-W727 HydrophobicContact CB-CB 4.03Å; E580-W727 HydrophobicContact CB-CG 4.44Å; S599-W727 WeakPolarHBondContact OG-CZ3 3.28Å; H602-W727 AromaticContact CE1-CZ2 3.95Å; W727-S729 VanDerWaalsContact C-N 3.29Å; W727-M731 CarbonylContact C-O 3.57Å; W727-M731 WeakPolarHBondContact CA-O 3.48Å; W727-M731 HydrophobicContact CB-CE 3.84Å; W727-M731 VanDerWaalsContact N-CE 3.26Å; W727-N732 HydrophobicContact CZ2-CB 4.33Å
728	G	98	Very high	98.8	Very high	35 Å²	35	16.9 Å²	16.9	36%	0.361	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-10.4	-171	0	0	0	0	0	114	M731	G728-M731 PolarHBondContact N-O 3.29Å
729	S	98.6	Very high	98.8	Very high	52 Å²	52	17.7 Å²	17.7	36%	0.364	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-73.6	175.1	-57	0	0	0	0	111.4	A726 W727 M731 T801 S802	A726-S729 PolarHBondContact O-N 2.6Å; A726-S729 VanDerWaalsContact O-N 3.11Å; W727-S729 VanDerWaalsContact C-N 3.29Å; S729-M731 VanDerWaalsContact C-N 3.31Å; S729-M731 PolarHBondContact O-N 3.39Å; S729-T801 WeakPolarHBondContact O-CB 3.49Å; S729-S802 VanDerWaalsContact CB-OG 3.29Å; S729-S802 WeakPolarHBondContact CB-OG 3.28Å
730	E	98.9	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.8	-178.9	-80.4	68.5	-113.7	0	0	112.3	R719 R725 A726 L772 T801 S802 F815 Y817	R719-E730 IonicContact CZ-OE2 2.93Å; R719-E730 IonicContact NH1-OE2 2.99Å; R719-E730 PolarHBondContact NH1-OE2 3.03Å; R719-E730 IonicContact NH2-OE2 2.97Å; R725-E730 HydrophobicContact CB-CB 3.77Å; R725-E730 HydrophobicContact CB-CG 4.17Å; R725-E730 HydrophobicContact CG-CB 3.71Å; R725-E730 HydrophobicContact CG-CG 3.95Å; A726-E730 PolarHBondContact N-OE2 2.94Å; A726-E730 PolarHBondContact O-N 2.89Å; E730-L772 HydrophobicContact CB-CD1 4.47Å; E730-L772 HydrophobicContact CB-CD2 3.83Å; E730-L772 HydrophobicContact CG-CD1 4.12Å; E730-L772 HydrophobicContact CG-CD2 3.6Å; E730-L772 HydrophobicContact CG-CG 4.47Å; E730-T801 WeakPolarHBondContact CG-OG1 3.27Å; E730-T801 WeakPolarHBondContact OE1-CB 3.44Å; E730-T801 PolarHBondContact OE1-OG1 3.04Å; E730-S802 WeakPolarHBondContact OE1-CB 3.24Å; E730-S802 PolarHBondContact OE1-N 2.84Å; E730-S802 PolarHBondContact OE1-OG 3.27Å; E730-F815 HydrophobicContact CG-CB 3.93Å; E730-F815 HydrophobicContact CG-CD1 4.49Å; E730-F815 HydrophobicContact CG-CD2 3.69Å; E730-F815 HydrophobicContact CG-CE2 4.27Å; E730-F815 HydrophobicContact CG-CG 3.82Å; E730-Y817 WeakPolarHBondContact O-CE2 3.16Å; E730-Y817 PolarHBondContact O-OH 2.81Å
731	M	98.8	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-149.6	144.1	179.5	68.9	-68.1	-172	0	0	113.1	V577 E580 R725 A726 W727 G728 S729 T735 A740 L742	V577-M731 HydrophobicContact CB-CB 4.15Å; V577-M731 HydrophobicContact CB-CG 4.21Å; V577-M731 HydrophobicContact CG1-CB 4.35Å; V577-M731 HydrophobicContact CG1-CG 3.85Å; V577-M731 HydrophobicContact CG2-CB 4.18Å; V577-M731 HydrophobicContact CG2-CG 4.43Å; E580-M731 HydrophobicContact CB-CE 3.89Å; E580-M731 HydrophobicContact CG-CE 4.22Å; E580-M731 WeakPolarHBondContact OE1-CE 3.46Å; E580-M731 VanDerWaalsContact OE2-CE 3.29Å; E580-M731 WeakPolarHBondContact OE2-CE 3.11Å; R725-M731 HydrophobicContact CB-CE 3.94Å; R725-M731 HydrophobicContact CB-SD 3.65Å; R725-M731 HydrophobicContact CG-SD 4.47Å; A726-M731 VanDerWaalsContact C-SD 3.54Å; A726-M731 VanDerWaalsContact O-SD 3.39Å; W727-M731 CarbonylContact C-O 3.57Å; W727-M731 WeakPolarHBondContact CA-O 3.48Å; W727-M731 HydrophobicContact CB-CE 3.84Å; W727-M731 VanDerWaalsContact N-CE 3.26Å; G728-M731 PolarHBondContact N-O 3.29Å; S729-M731 VanDerWaalsContact C-N 3.31Å; S729-M731 PolarHBondContact O-N 3.39Å; M731-T735 WeakPolarHBondContact CA-OG1 3.2Å; M731-T735 VanDerWaalsContact CB-OG1 3.32Å; M731-T735 WeakPolarHBondContact CB-OG1 3.19Å; M731-A740 HydrophobicContact CB-CB 4.21Å; M731-L742 HydrophobicContact CB-CD1 4.49Å; M731-L742 HydrophobicContact CG-CD1 4.06Å; M731-L742 HydrophobicContact SD-CD1 4.45Å
732	N	98.8	Very high	98.7	Very high	18 Å²	18	18.1 Å²	18.1	10%	0.096	11%	0.108	C	C	.	.	S	Bend	trans	-167.1	-158.7	177.4	64.9	6.3	0	0	0	108	D423 V577 W727 D734 T735	D423-N732 HydrophobicContact CB-CB 4.09Å; D423-N732 VanDerWaalsContact CB-ND2 3.34Å; D423-N732 WeakPolarHBondContact CB-ND2 3.13Å; D423-N732 WeakPolarHBondContact OD2-CB 3.48Å; V577-N732 CarbonylContact O-C 3.56Å; V577-N732 WeakPolarHBondContact O-CA 3.47Å; W727-N732 HydrophobicContact CZ2-CB 4.33Å; N732-D734 PolarHBondContact O-N 3.4Å; N732-D734 VanDerWaalsContact O-N 3.12Å; N732-D734 VanDerWaalsContact OD1-CB 3.24Å; N732-D734 WeakPolarHBondContact OD1-CB 3.4Å; N732-D734 PolarHBondContact OD1-N 2.97Å; N732-T735 PolarHBondContact N-OG1 2.69Å; N732-T735 PolarHBondContact O-N 2.86Å; N732-T735 VanDerWaalsContact O-N 3.11Å; N732-T735 PolarHBondContact O-OG1 2.97Å
733	C	98.8	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.1	179.1	-65.5	0	0	0	0	114.7	P420 D423 R576 T735	P420-C733 HydrophobicContact CG-CB 3.98Å; P420-C733 VanDerWaalsContact CG-SG 3.59Å; D423-C733 HydrophobicContact CB-CB 3.99Å; D423-C733 WeakPolarHBondContact OD2-CB 3.46Å; D423-C733 PolarHBondContact OD2-N 3.29Å; D423-C733 PolarHBondContact OD2-SG 2.74Å; R576-C733 WeakPolarHBondContact CB-O 3.46Å; R576-C733 WeakPolarHBondContact CD-O 3.46Å; R576-C733 VanDerWaalsContact CG-O 3.28Å; R576-C733 WeakPolarHBondContact CG-O 3.43Å; R576-C733 PolarHBondContact NH1-O 3.49Å; C733-T735 VanDerWaalsContact C-N 3.3Å
734	D	98.8	Very high	98.6	Very high	40 Å²	40	29.7 Å²	29.7	21%	0.214	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.3	174.5	-62.8	-31	0	0	0	113.3	N104 F422 D423 N732 R770	N104-D734 PolarHBondContact ND2-OD2 3.47Å; F422-D734 WeakPolarHBondContact CA-OD1 3.38Å; F422-D734 WeakPolarHBondContact CB-OD1 3.32Å; D423-D734 PolarHBondContact N-OD1 3.34Å; N732-D734 PolarHBondContact O-N 3.4Å; N732-D734 VanDerWaalsContact O-N 3.12Å; N732-D734 VanDerWaalsContact OD1-CB 3.24Å; N732-D734 WeakPolarHBondContact OD1-CB 3.4Å; N732-D734 PolarHBondContact OD1-N 2.97Å; D734-R770 PolarHBondContact O-NH2 2.84Å; D734-R770 VanDerWaalsContact O-NH2 3.14Å
735	T	98.9	Very high	98.6	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.037	15%	0.153	C	C	.	.			trans	-125.2	151.5	-168.8	72.3	0	0	0	0	112.6	R576 V577 M731 N732 C733 E739 Y817	R576-T735 CarbonylContact C-O 3.53Å; R576-T735 WeakPolarHBondContact CA-O 3.4Å; V577-T735 PolarHBondContact N-O 3.07Å; M731-T735 WeakPolarHBondContact CA-OG1 3.2Å; M731-T735 VanDerWaalsContact CB-OG1 3.32Å; M731-T735 WeakPolarHBondContact CB-OG1 3.19Å; N732-T735 PolarHBondContact N-OG1 2.69Å; N732-T735 PolarHBondContact O-N 2.86Å; N732-T735 VanDerWaalsContact O-N 3.11Å; N732-T735 PolarHBondContact O-OG1 2.97Å; C733-T735 VanDerWaalsContact C-N 3.3Å; T735-E739 WeakPolarHBondContact CA-OE1 3.49Å; T735-Y817 HydrophobicContact CG2-CE2 3.78Å; T735-Y817 WeakPolarHBondContact CG2-OH 3.46Å
736	N	98.9	Very high	98.6	Very high	14 Å²	14	28 Å²	28	8%	0.075	15%	0.149	C	C	.	.			trans	-99.2	153.4	167.5	73.4	83.4	0	0	0	110.2	G575 L738 E739 A740 L760 I763	G575-N736 WeakPolarHBondContact O-CA 3.27Å; G575-N736 VanDerWaalsContact O-CB 3.23Å; G575-N736 WeakPolarHBondContact O-CB 3.18Å; N736-L738 PolarHBondContact O-N 3.37Å; N736-L738 VanDerWaalsContact O-N 3.17Å; N736-L738 WeakPolarHBondContact OD1-CB 3.32Å; N736-L738 PolarHBondContact OD1-N 3.1Å; N736-L738 VanDerWaalsContact OD1-N 3.14Å; N736-E739 PolarHBondContact N-OE1 3.28Å; N736-E739 VanDerWaalsContact N-OE1 3.12Å; N736-E739 VanDerWaalsContact ND2-CG 3.31Å; N736-E739 WeakPolarHBondContact ND2-CG 3.33Å; N736-E739 PolarHBondContact ND2-OE1 3.11Å; N736-E739 VanDerWaalsContact O-CG 3.25Å; N736-E739 WeakPolarHBondContact O-CG 3.33Å; N736-E739 PolarHBondContact O-N 3.15Å; N736-E739 PolarHBondContact OD1-N 2.93Å; N736-E739 VanDerWaalsContact OD1-N 3.12Å; N736-A740 PolarHBondContact O-N 3.36Å; N736-L760 HydrophobicContact CB-CD2 4.3Å; N736-I763 HydrophobicContact CB-CD1 4.14Å
737	P	98.9	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.4	-175.1	26.3	-36	0	0	0	113.8	L571 G575 V577 G741 L742 V746 L760	L571-P737 HydrophobicContact CD1-CG 4.16Å; L571-P737 HydrophobicContact CD2-CG 3.88Å; G575-P737 WeakPolarHBondContact O-CD 3.3Å; V577-P737 HydrophobicContact CG2-CB 3.86Å; V577-P737 HydrophobicContact CG2-CG 4.24Å; P737-G741 PolarHBondContact O-N 3.05Å; P737-L742 HydrophobicContact CB-CB 4.04Å; P737-L742 HydrophobicContact CB-CD1 4.3Å; P737-L742 WeakPolarHBondContact O-CA 3.24Å; P737-L742 WeakPolarHBondContact O-CB 3.2Å; P737-L742 PolarHBondContact O-N 3.41Å; P737-V746 HydrophobicContact CB-CG2 3.86Å; P737-V746 HydrophobicContact CG-CG2 3.95Å; P737-L760 HydrophobicContact CG-CD1 3.7Å; P737-L760 HydrophobicContact CG-CD2 3.89Å; P737-L760 HydrophobicContact CG-CG 4.45Å
738	L	98.9	Very high	98.6	Very high	11 Å²	11	29.5 Å²	29.5	6%	0.058	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-44	180	-54.9	-179.7	0	0	0	111.2	N736 A740 G741 E743 L760 I763 K764 L768	N736-L738 PolarHBondContact O-N 3.37Å; N736-L738 VanDerWaalsContact O-N 3.17Å; N736-L738 WeakPolarHBondContact OD1-CB 3.32Å; N736-L738 PolarHBondContact OD1-N 3.1Å; N736-L738 VanDerWaalsContact OD1-N 3.14Å; L738-A740 VanDerWaalsContact C-N 3.25Å; L738-A740 PolarHBondContact O-N 2.99Å; L738-G741 PolarHBondContact O-N 2.74Å; L738-E743 HydrophobicContact CD2-CB 4.33Å; L738-E743 HydrophobicContact CD2-CG 3.7Å; L738-L760 HydrophobicContact CG-CD2 4.44Å; L738-I763 HydrophobicContact CD1-CG2 4.18Å; L738-K764 HydrophobicContact CD1-CB 3.78Å; L738-K764 HydrophobicContact CD1-CG 4.46Å; L738-L768 HydrophobicContact CB-CD2 3.95Å
739	E	98.8	Very high	98.6	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.075	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27	174.4	67.1	-177.3	175.5	0	0	113	T735 N736 G741 L768 R770 L772 Y817	T735-E739 WeakPolarHBondContact CA-OE1 3.49Å; N736-E739 PolarHBondContact N-OE1 3.28Å; N736-E739 VanDerWaalsContact N-OE1 3.12Å; N736-E739 VanDerWaalsContact ND2-CG 3.31Å; N736-E739 WeakPolarHBondContact ND2-CG 3.33Å; N736-E739 PolarHBondContact ND2-OE1 3.11Å; N736-E739 VanDerWaalsContact O-CG 3.25Å; N736-E739 WeakPolarHBondContact O-CG 3.33Å; N736-E739 PolarHBondContact O-N 3.15Å; N736-E739 PolarHBondContact OD1-N 2.93Å; N736-E739 VanDerWaalsContact OD1-N 3.12Å; E739-G741 PolarHBondContact O-N 3.26Å; E739-L768 HydrophobicContact CB-CD2 4.29Å; E739-R770 WeakPolarHBondContact CB-O 3.47Å; E739-R770 IonicContact OE1-CZ 3.78Å; E739-R770 IonicContact OE1-NE 2.91Å; E739-R770 IonicContact OE1-NH2 3.53Å; E739-R770 PolarHBondContact OE1-NH2 3.41Å; E739-R770 VanDerWaalsContact OE2-CG 3.26Å; E739-R770 WeakPolarHBondContact OE2-CG 3.34Å; E739-R770 IonicContact OE2-CZ 2.72Å; E739-R770 IonicContact OE2-NE 3.1Å; E739-R770 PolarHBondContact OE2-NE 2.85Å; E739-R770 IonicContact OE2-NH2 2.65Å; E739-L772 PolarHBondContact O-N 3.36Å; E739-Y817 HydrophobicContact CB-CE1 4.18Å; E739-Y817 HydrophobicContact CG-CE1 3.88Å
740	A	98.8	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.7	174.5	0	0	0	0	0	114.1	R725 M731 N736 L738 L742 L772 Y817	R725-A740 PolarHBondContact NE-O 2.7Å; R725-A740 PolarHBondContact NH2-O 3.2Å; M731-A740 HydrophobicContact CB-CB 4.21Å; N736-A740 PolarHBondContact O-N 3.36Å; L738-A740 VanDerWaalsContact C-N 3.25Å; L738-A740 PolarHBondContact O-N 2.99Å; A740-L742 HydrophobicContact CB-CD1 3.9Å; A740-L742 HydrophobicContact CB-CG 3.99Å; A740-L772 WeakPolarHBondContact O-CD2 3.39Å; A740-Y817 WeakPolarHBondContact CA-OH 3.38Å; A740-Y817 WeakPolarHBondContact CB-OH 3.31Å
741	G	98.4	Very high	98.5	Very high	16 Å²	16	39.4 Å²	39.4	17%	0.165	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	35	-176.9	0	0	0	0	0	113.7	P737 L738 E739 E743	P737-G741 PolarHBondContact O-N 3.05Å; L738-G741 PolarHBondContact O-N 2.74Å; E739-G741 PolarHBondContact O-N 3.26Å; G741-E743 WeakPolarHBondContact CA-OE2 3.19Å
742	L	98.8	Very high	98.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.21	C	C	.	.			trans	-102.9	19	-179.2	-60	171.1	0	0	0	112.5	R725 M731 P737 A740 Y744 F745 V746	R725-L742 HydrophobicContact CB-CD2 4.33Å; R725-L742 HydrophobicContact CG-CD2 4.08Å; M731-L742 HydrophobicContact CB-CD1 4.49Å; M731-L742 HydrophobicContact CG-CD1 4.06Å; M731-L742 HydrophobicContact SD-CD1 4.45Å; P737-L742 HydrophobicContact CB-CB 4.04Å; P737-L742 HydrophobicContact CB-CD1 4.3Å; P737-L742 WeakPolarHBondContact O-CA 3.24Å; P737-L742 WeakPolarHBondContact O-CB 3.2Å; P737-L742 PolarHBondContact O-N 3.41Å; A740-L742 HydrophobicContact CB-CD1 3.9Å; A740-L742 HydrophobicContact CB-CG 3.99Å; L742-Y744 PolarHBondContact O-N 2.79Å; L742-F745 HydrophobicContact CB-CD2 4.23Å; L742-F745 HydrophobicContact CD2-CD2 3.97Å; L742-F745 HydrophobicContact CD2-CE2 4.09Å; L742-F745 PolarHBondContact O-N 3.21Å; L742-V746 PolarHBondContact O-N 3.28Å
743	E	97.6	Very high	98.5	Very high	77 Å²	77	43.5 Å²	43.5	36%	0.36	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.6	-174.3	-49.1	93.3	144.3	0	0	112.4	L738 G741 F745 V746 R771	L738-E743 HydrophobicContact CD2-CB 4.33Å; L738-E743 HydrophobicContact CD2-CG 3.7Å; G741-E743 WeakPolarHBondContact CA-OE2 3.19Å; E743-F745 VanDerWaalsContact C-N 3.25Å; E743-F745 PolarHBondContact O-N 3.4Å; E743-V746 PolarHBondContact O-N 2.9Å; E743-R771 IonicContact OE1-NH2 2.75Å; E743-R771 PolarHBondContact OE1-NH2 2.78Å
744	Y	98	Very high	98.5	Very high	178 Å²	178	43.5 Å²	43.5	70%	0.698	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.1	174.6	178.6	-101.7	0	0	0	112.6	L742 K747	L742-Y744 PolarHBondContact O-N 2.79Å; Y744-K747 PolarHBondContact O-NZ 2.92Å
745	F	98.6	Very high	98.5	Very high	52 Å²	52	42.4 Å²	42.4	23%	0.228	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-9.8	-177.1	-53	-72.5	0	0	0	113.1	N557 I567 H569 L742 E743	N557-F745 WeakPolarHBondContact CA-O 3.37Å; N557-F745 WeakPolarHBondContact CB-O 3.19Å; N557-F745 PolarHBondContact N-O 2.84Å; N557-F745 PolarHBondContact OD1-O 3.02Å; I567-F745 HydrophobicContact CB-CD1 3.94Å; I567-F745 HydrophobicContact CB-CE1 3.86Å; I567-F745 HydrophobicContact CG1-CE1 4.29Å; I567-F745 HydrophobicContact CG2-CD1 4.44Å; I567-F745 HydrophobicContact CG2-CE1 4.47Å; H569-F745 AromaticContact CE1-CD2 3.87Å; H569-F745 AromaticContact CE1-CG 3.81Å; L742-F745 HydrophobicContact CB-CD2 4.23Å; L742-F745 HydrophobicContact CD2-CD2 3.97Å; L742-F745 HydrophobicContact CD2-CE2 4.09Å; L742-F745 PolarHBondContact O-N 3.21Å; E743-F745 VanDerWaalsContact C-N 3.25Å; E743-F745 PolarHBondContact O-N 3.4Å
746	V	98.6	Very high	98.5	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.067	22%	0.22	C	C	.	.			trans	-99.1	117.2	-178.9	-178.8	0	0	0	0	110.9	A556 P737 L742 E743 L748 F754 L760	A556-V746 HydrophobicContact CB-CG1 4.34Å; A556-V746 HydrophobicContact CB-CG2 4.38Å; P737-V746 HydrophobicContact CB-CG2 3.86Å; P737-V746 HydrophobicContact CG-CG2 3.95Å; L742-V746 PolarHBondContact O-N 3.28Å; E743-V746 PolarHBondContact O-N 2.9Å; V746-L748 HydrophobicContact CG1-CD2 3.79Å; V746-L748 HydrophobicContact CG1-CG 3.88Å; V746-L748 PolarHBondContact O-N 3.26Å; V746-F754 HydrophobicContact CG1-CZ 4.35Å; V746-L760 HydrophobicContact CG1-CD1 3.71Å
747	K	98.6	Very high	98.5	Very high	73 Å²	73	42.3 Å²	42.3	32%	0.317	22%	0.219	S	C	.	.			trans	-104	72.3	-179.6	-56.2	-57.7	-174	-154.3	0	110.7	A556 N557 V558 Y744 N749 K750	A556-K747 PolarHBondContact O-N 3.07Å; N557-K747 WeakPolarHBondContact OD1-CE 3.3Å; N557-K747 VanDerWaalsContact OD1-CG 3.31Å; N557-K747 WeakPolarHBondContact OD1-CG 3.34Å; V558-K747 HydrophobicContact CG1-CB 4.36Å; V558-K747 HydrophobicContact CG1-CG 4.1Å; Y744-K747 PolarHBondContact O-NZ 2.92Å; K747-N749 PolarHBondContact O-N 3.46Å; K747-K750 HydrophobicContact CB-CB 4.14Å; K747-K750 HydrophobicContact CB-CD 4.49Å; K747-K750 WeakPolarHBondContact O-CB 3.28Å; K747-K750 WeakPolarHBondContact O-CG 3.38Å; K747-K750 PolarHBondContact O-N 3.43Å
748	L	98.1	Very high	98.5	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.099	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-22.7	-178.2	-68.3	175.9	0	0	0	115.1	V746 F754 K757 L760 K761 K764	V746-L748 HydrophobicContact CG1-CD2 3.79Å; V746-L748 HydrophobicContact CG1-CG 3.88Å; V746-L748 PolarHBondContact O-N 3.26Å; L748-F754 HydrophobicContact CD2-CZ 4.2Å; L748-K757 WeakPolarHBondContact O-CE 3.47Å; L748-L760 HydrophobicContact CD2-CB 3.67Å; L748-L760 HydrophobicContact CD2-CD1 4.11Å; L748-K761 HydrophobicContact CD2-CG 4.42Å; L748-K761 WeakPolarHBondContact O-CE 3.49Å; L748-K764 HydrophobicContact CD1-CD 3.63Å
749	N	98	Very high	98.5	Very high	154 Å²	154	47.1 Å²	47.1	82%	0.824	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	3.7	-179.8	-65.5	-19.1	0	0	0	113.5	K747	K747-N749 PolarHBondContact O-N 3.46Å
750	K	98.1	Very high	98.5	Very high	12 Å²	12	46.3 Å²	46.3	5%	0.052	24%	0.241	C	C	.	.	S	Bend	trans	-62	150.5	174.9	79	175.7	-174.8	160.9	0	110.3	D552 F555 N557 K747 F754 K757	D552-K750 WeakPolarHBondContact O-CE 3.29Å; D552-K750 PolarHBondContact O-NZ 3.11Å; D552-K750 IonicContact OD1-NZ 2.73Å; D552-K750 PolarHBondContact OD1-NZ 3.15Å; F555-K750 VanDerWaalsContact O-CE 3.22Å; F555-K750 WeakPolarHBondContact O-CE 3.27Å; F555-K750 PolarHBondContact O-NZ 2.92Å; N557-K750 PolarHBondContact O-NZ 2.92Å; K747-K750 HydrophobicContact CB-CB 4.14Å; K747-K750 HydrophobicContact CB-CD 4.49Å; K747-K750 WeakPolarHBondContact O-CB 3.28Å; K747-K750 WeakPolarHBondContact O-CG 3.38Å; K747-K750 PolarHBondContact O-N 3.43Å; K750-F754 HydrophobicContact CD-CD1 4.07Å; K750-F754 HydrophobicContact CG-CD1 3.94Å; K750-F754 HydrophobicContact CG-CE1 4.2Å; K750-K757 PolarHBondContact O-NZ 3.14Å
751	P	98.4	Very high	98.5	Very high	128 Å²	128	51 Å²	51	83%	0.831	26%	0.261	S	S	*	.	S	Bend	trans	-61.1	-48.4	-174.7	-25.4	35.5	0	0	0	113	D753 K757	P751-D753 PolarHBondContact O-N 3.45Å; P751-K757 PolarHBondContact O-NZ 2.8Å
752	A	98.1	Very high	98.5	Very high	24 Å²	24	57 Å²	57	20%	0.198	29%	0.285	C	S	.	.	S	Bend	trans	-56.3	137.2	-179.9	0	0	0	0	0	111.9	D552 F754 K757	D552-A752 HydrophobicContact CB-CB 4.16Å; D552-A752 WeakPolarHBondContact O-CB 3.17Å; D552-A752 WeakPolarHBondContact OD2-CB 3.17Å; A752-F754 PolarHBondContact O-N 2.82Å; A752-K757 PolarHBondContact O-NZ 2.83Å
753	D	98.4	Very high	98.5	Very high	80 Å²	80	59 Å²	59	43%	0.428	30%	0.295	S	S	.	.			trans	-85.2	69.6	176.9	-162.8	28	0	0	0	110.5	H553 P751 K757 Q758	H553-D753 PolarHBondContact CE1-O 3.47Å; H553-D753 PolarHBondContact ND1-O 2.91Å; P751-D753 PolarHBondContact O-N 3.45Å; D753-K757 VanDerWaalsContact OD1-CD 3.28Å; D753-K757 WeakPolarHBondContact OD1-CD 3.44Å; D753-Q758 PolarHBondContact OD1-NE2 2.8Å; D753-Q758 PolarHBondContact OD1-OE1 3.39Å; D753-Q758 PolarHBondContact OD2-NE2 3.03Å
754	F	98.9	Very high	98.5	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.			trans	-63.3	153.1	-174.4	67.1	-92.1	0	0	0	112.7	H553 F555 A556 L571 V746 L748 K750 A752 G756 K757	H553-F754 CarbonylContact O-C 3.54Å; H553-F754 WeakPolarHBondContact O-CA 3.48Å; H553-F754 WeakPolarHBondContact O-CB 3.16Å; F555-F754 WeakPolarHBondContact O-CB 3.46Å; A556-F754 HydrophobicContact CB-CD2 3.98Å; A556-F754 HydrophobicContact CB-CE2 3.63Å; A556-F754 HydrophobicContact CB-CZ 4.12Å; L571-F754 HydrophobicContact CD1-CE2 4Å; V746-F754 HydrophobicContact CG1-CZ 4.35Å; L748-F754 HydrophobicContact CD2-CZ 4.2Å; K750-F754 HydrophobicContact CD-CD1 4.07Å; K750-F754 HydrophobicContact CG-CD1 3.94Å; K750-F754 HydrophobicContact CG-CE1 4.2Å; A752-F754 PolarHBondContact O-N 2.82Å; F754-G756 PolarHBondContact O-N 3.44Å; F754-K757 HydrophobicContact CD1-CB 3.91Å; F754-K757 HydrophobicContact CD1-CD 3.81Å; F754-K757 HydrophobicContact CD1-CG 3.96Å; F754-K757 HydrophobicContact CD2-CB 4Å; F754-K757 HydrophobicContact CE1-CB 3.76Å; F754-K757 HydrophobicContact CE1-CD 3.75Å; F754-K757 HydrophobicContact CE1-CG 3.51Å; F754-K757 HydrophobicContact CE2-CB 3.8Å; F754-K757 HydrophobicContact CE2-CG 4.36Å; F754-K757 HydrophobicContact CG-CB 4.05Å; F754-K757 HydrophobicContact CZ-CB 3.7Å; F754-K757 HydrophobicContact CZ-CD 4.47Å; F754-K757 HydrophobicContact CZ-CG 3.74Å; F754-K757 WeakPolarHBondContact O-CB 3.42Å; F754-K757 PolarHBondContact O-N 2.76Å
755	I	98.9	Very high	98.5	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.087	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127.8	-178.1	-56.7	175.1	0	0	0	110.1	H553 L554 L571 P573 W606 E610 K757	H553-I755 WeakPolarHBondContact NE2-CG1 3.39Å; H553-I755 PolarHBondContact O-N 3.35Å; L554-I755 HydrophobicContact CD2-CD1 4.1Å; L571-I755 WeakPolarHBondContact O-CG2 3.45Å; P573-I755 HydrophobicContact CG-CG2 4.03Å; W606-I755 HydrophobicContact CZ2-CG2 4.43Å; E610-I755 HydrophobicContact CG-CD1 4.17Å; I755-K757 PolarHBondContact O-N 3.1Å
756	G	98.8	Very high	98.5	Very high	4 Å²	4	63.5 Å²	63.5	4%	0.041	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-0.9	179.9	0	0	0	0	0	115.9	T572 F754 Q758 A759 L760	T572-G756 WeakPolarHBondContact O-CA 3.16Å; F754-G756 PolarHBondContact O-N 3.44Å; G756-Q758 PolarHBondContact O-N 2.89Å; G756-A759 PolarHBondContact O-N 2.75Å; G756-L760 PolarHBondContact O-N 2.76Å
757	K	98.8	Very high	98.5	Very high	14 Å²	14	64.8 Å²	64.8	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-56	-47	-179.1	-174.8	-176.8	-165	177.7	0	113.4	L748 K750 P751 A752 D753 F754 I755 L760 K761	L748-K757 WeakPolarHBondContact O-CE 3.47Å; K750-K757 PolarHBondContact O-NZ 3.14Å; P751-K757 PolarHBondContact O-NZ 2.8Å; A752-K757 PolarHBondContact O-NZ 2.83Å; D753-K757 VanDerWaalsContact OD1-CD 3.28Å; D753-K757 WeakPolarHBondContact OD1-CD 3.44Å; F754-K757 HydrophobicContact CD1-CB 3.91Å; F754-K757 HydrophobicContact CD1-CD 3.81Å; F754-K757 HydrophobicContact CD1-CG 3.96Å; F754-K757 HydrophobicContact CD2-CB 4Å; F754-K757 HydrophobicContact CE1-CB 3.76Å; F754-K757 HydrophobicContact CE1-CD 3.75Å; F754-K757 HydrophobicContact CE1-CG 3.51Å; F754-K757 HydrophobicContact CE2-CB 3.8Å; F754-K757 HydrophobicContact CE2-CG 4.36Å; F754-K757 HydrophobicContact CG-CB 4.05Å; F754-K757 HydrophobicContact CZ-CB 3.7Å; F754-K757 HydrophobicContact CZ-CD 4.47Å; F754-K757 HydrophobicContact CZ-CG 3.74Å; F754-K757 WeakPolarHBondContact O-CB 3.42Å; F754-K757 PolarHBondContact O-N 2.76Å; I755-K757 PolarHBondContact O-N 3.1Å; K757-L760 PolarHBondContact O-N 2.94Å; K757-K761 WeakPolarHBondContact O-CG 3.21Å; K757-K761 PolarHBondContact O-N 2.89Å
758	Q	98.7	Very high	98.5	Very high	94 Å²	94	63.5 Å²	63.5	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-44.6	179.4	-72.4	71.9	11.8	0	0	111.1	D753 G756 L760 K761 Q762	D753-Q758 PolarHBondContact OD1-NE2 2.8Å; D753-Q758 PolarHBondContact OD1-OE1 3.39Å; D753-Q758 PolarHBondContact OD2-NE2 3.03Å; G756-Q758 PolarHBondContact O-N 2.89Å; Q758-L760 VanDerWaalsContact C-N 3.31Å; Q758-L760 PolarHBondContact O-N 2.88Å; Q758-K761 WeakPolarHBondContact O-CB 3.39Å; Q758-K761 PolarHBondContact O-N 2.9Å; Q758-Q762 WeakPolarHBondContact O-CG 3.39Å; Q758-Q762 PolarHBondContact O-N 3.5Å
759	A	98.8	Very high	98.5	Very high	18 Å²	18	70.4 Å²	70.4	15%	0.149	38%	0.375	C	S	.	.	H	α-helix	trans	-59	-44.7	177.5	0	0	0	0	0	110.8	P573 G756 K761 Q762 I763	P573-A759 WeakPolarHBondContact O-CB 3.42Å; G756-A759 PolarHBondContact O-N 2.75Å; A759-K761 PolarHBondContact O-N 3.4Å; A759-Q762 WeakPolarHBondContact O-CB 3.24Å; A759-Q762 PolarHBondContact O-N 3.16Å; A759-I763 WeakPolarHBondContact O-CG1 3.46Å; A759-I763 PolarHBondContact O-N 2.68Å
760	L	98.7	Very high	98.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-37.7	175.4	-70.3	-166.5	0	0	0	113.8	L571 N736 P737 L738 V746 L748 G756 K757 Q758 Q762 I763 K764	L571-L760 HydrophobicContact CD1-CD1 3.35Å; L571-L760 HydrophobicContact CD1-CG 3.96Å; N736-L760 HydrophobicContact CB-CD2 4.3Å; P737-L760 HydrophobicContact CG-CD1 3.7Å; P737-L760 HydrophobicContact CG-CD2 3.89Å; P737-L760 HydrophobicContact CG-CG 4.45Å; L738-L760 HydrophobicContact CG-CD2 4.44Å; V746-L760 HydrophobicContact CG1-CD1 3.71Å; L748-L760 HydrophobicContact CD2-CB 3.67Å; L748-L760 HydrophobicContact CD2-CD1 4.11Å; G756-L760 PolarHBondContact O-N 2.76Å; K757-L760 PolarHBondContact O-N 2.94Å; Q758-L760 VanDerWaalsContact C-N 3.31Å; Q758-L760 PolarHBondContact O-N 2.88Å; L760-Q762 VanDerWaalsContact C-N 3.29Å; L760-Q762 PolarHBondContact O-N 3.35Å; L760-I763 HydrophobicContact CD2-CD1 4.18Å; L760-I763 PolarHBondContact O-N 2.87Å; L760-K764 VanDerWaalsContact O-CB 3.31Å; L760-K764 WeakPolarHBondContact O-CB 3.23Å; L760-K764 PolarHBondContact O-N 3.49Å
761	K	98.7	Very high	98.6	Very high	98 Å²	98	71.4 Å²	71.4	43%	0.426	37%	0.367	S	S	.	.	H	α-helix	trans	-60	-42	173.4	-76.4	-178.9	177.4	-176.4	0	111.1	L748 K757 Q758 A759 A765	L748-K761 HydrophobicContact CD2-CG 4.42Å; L748-K761 WeakPolarHBondContact O-CE 3.49Å; K757-K761 WeakPolarHBondContact O-CG 3.21Å; K757-K761 PolarHBondContact O-N 2.89Å; Q758-K761 WeakPolarHBondContact O-CB 3.39Å; Q758-K761 PolarHBondContact O-N 2.9Å; A759-K761 PolarHBondContact O-N 3.4Å; K761-A765 WeakPolarHBondContact O-CB 3.46Å; K761-A765 PolarHBondContact O-N 3.12Å
762	Q	98.8	Very high	98.6	Very high	143 Å²	143	65.4 Å²	65.4	67%	0.668	33%	0.328	S	S	*	.	H	α-helix	trans	-66.1	-44.7	176.1	-68.6	-179.6	1.8	0	0	112.2	Q758 A759 L760 K764 A765 K766	Q758-Q762 WeakPolarHBondContact O-CG 3.39Å; Q758-Q762 PolarHBondContact O-N 3.5Å; A759-Q762 WeakPolarHBondContact O-CB 3.24Å; A759-Q762 PolarHBondContact O-N 3.16Å; L760-Q762 VanDerWaalsContact C-N 3.29Å; L760-Q762 PolarHBondContact O-N 3.35Å; Q762-K764 VanDerWaalsContact C-N 3.35Å; Q762-K764 PolarHBondContact O-N 3.37Å; Q762-A765 PolarHBondContact O-N 2.84Å; Q762-K766 WeakPolarHBondContact O-CB 3.45Å; Q762-K766 PolarHBondContact O-N 3.2Å
763	I	98.6	Very high	98.6	Very high	42 Å²	42	64.6 Å²	64.6	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-47.9	175.9	-70	164.3	0	0	0	110.2	N736 L738 A759 L760 A765 K766 G767 L768	N736-I763 HydrophobicContact CB-CD1 4.14Å; L738-I763 HydrophobicContact CD1-CG2 4.18Å; A759-I763 WeakPolarHBondContact O-CG1 3.46Å; A759-I763 PolarHBondContact O-N 2.68Å; L760-I763 HydrophobicContact CD2-CD1 4.18Å; L760-I763 PolarHBondContact O-N 2.87Å; I763-A765 VanDerWaalsContact C-N 3.33Å; I763-A765 PolarHBondContact O-N 2.95Å; I763-K766 PolarHBondContact O-N 2.84Å; I763-G767 PolarHBondContact O-N 3.08Å; I763-L768 HydrophobicContact CG2-CD2 4.01Å
764	K	98.3	Very high	98.6	Very high	140 Å²	140	61 Å²	61	61%	0.609	30%	0.301	S	S	*	.	H	α-helix	trans	-60.1	-42.5	178	-173	173.8	-179.9	177.2	0	112.2	L738 L748 L760 Q762	L738-K764 HydrophobicContact CD1-CB 3.78Å; L738-K764 HydrophobicContact CD1-CG 4.46Å; L748-K764 HydrophobicContact CD1-CD 3.63Å; L760-K764 VanDerWaalsContact O-CB 3.31Å; L760-K764 WeakPolarHBondContact O-CB 3.23Å; L760-K764 PolarHBondContact O-N 3.49Å; Q762-K764 VanDerWaalsContact C-N 3.35Å; Q762-K764 PolarHBondContact O-N 3.37Å
765	A	98.4	Very high	98.7	Very high	90 Å²	90	61 Å²	61	74%	0.744	30%	0.301	S	S	*	.	H	α-helix	trans	-68.3	-36.3	178.9	0	0	0	0	0	112.6	K761 Q762 I763	K761-A765 WeakPolarHBondContact O-CB 3.46Å; K761-A765 PolarHBondContact O-N 3.12Å; Q762-A765 PolarHBondContact O-N 2.84Å; I763-A765 VanDerWaalsContact C-N 3.33Å; I763-A765 PolarHBondContact O-N 2.95Å
766	K	98.5	Very high	98.7	Very high	172 Å²	172	60.8 Å²	60.8	75%	0.748	30%	0.301	S	S	*	.	H	α-helix	trans	-74.1	-28.9	178.7	-173.6	174.8	-179.1	174.9	0	113.2	Q762 I763	Q762-K766 WeakPolarHBondContact O-CB 3.45Å; Q762-K766 PolarHBondContact O-N 3.2Å; I763-K766 PolarHBondContact O-N 2.84Å
767	G	97.9	Very high	98.6	Very high	39 Å²	39	60.8 Å²	60.8	40%	0.402	30%	0.3	S	S	.	.			trans	89.7	154	-173.3	0	0	0	0	0	112.8	I763	I763-G767 PolarHBondContact O-N 3.08Å
768	L	98.6	Very high	98.6	Very high	46 Å²	46	63.1 Å²	63.1	24%	0.241	32%	0.322	C	S	.	.			trans	-80	148.8	-179.1	-55.9	179.4	0	0	0	110.8	L738 E739 I763 V820	L738-L768 HydrophobicContact CB-CD2 3.95Å; E739-L768 HydrophobicContact CB-CD2 4.29Å; I763-L768 HydrophobicContact CG2-CD2 4.01Å; L768-V820 HydrophobicContact CB-CG1 3.96Å; L768-V820 WeakPolarHBondContact O-CG1 3.35Å
769	K	98.4	Very high	98.6	Very high	164 Å²	164	59.9 Å²	59.9	71%	0.713	31%	0.308	S	S	*	.	S	Bend	trans	-100.7	-29.3	172.8	-68.5	-172.2	173.6	-169.8	0	113.3	V820	K769-V820 PolarHBondContact O-N 3.02Å
770	R	98.7	Very high	98.6	Very high	84 Å²	84	62.9 Å²	62.9	32%	0.317	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	161.9	175.1	64.6	178.1	-178.4	174.4	2.6	109.1	D734 E739 Y817 V818	D734-R770 PolarHBondContact O-NH2 2.84Å; D734-R770 VanDerWaalsContact O-NH2 3.14Å; E739-R770 WeakPolarHBondContact CB-O 3.47Å; E739-R770 IonicContact OE1-CZ 3.78Å; E739-R770 IonicContact OE1-NE 2.91Å; E739-R770 IonicContact OE1-NH2 3.53Å; E739-R770 PolarHBondContact OE1-NH2 3.41Å; E739-R770 VanDerWaalsContact OE2-CG 3.26Å; E739-R770 WeakPolarHBondContact OE2-CG 3.34Å; E739-R770 IonicContact OE2-CZ 2.72Å; E739-R770 IonicContact OE2-NE 3.1Å; E739-R770 PolarHBondContact OE2-NE 2.85Å; E739-R770 IonicContact OE2-NH2 2.65Å; R770-Y817 HydrophobicContact CG-CD1 4.02Å; R770-V818 CarbonylContact C-O 3.58Å; R770-V818 WeakPolarHBondContact CA-O 3.37Å; R770-V818 VanDerWaalsContact CB-O 3.3Å; R770-V818 WeakPolarHBondContact CB-O 3.13Å
771	R	98.7	Very high	98.6	Very high	102 Å²	102	66.1 Å²	66.1	39%	0.385	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.5	177.1	-169.7	175.5	-169.8	147.5	13.5	110.7	E743 V818 V820	E743-R771 IonicContact OE1-NH2 2.75Å; E743-R771 PolarHBondContact OE1-NH2 2.78Å; R771-V818 PolarHBondContact N-O 3.47Å; R771-V818 PolarHBondContact O-N 3.48Å; R771-V818 VanDerWaalsContact O-N 3.1Å; R771-V820 HydrophobicContact CB-CG1 4.44Å
772	L	98.9	Very high	98.6	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.7	168.3	-168.9	78.8	0	0	0	110.5	R725 E730 E739 A740 T801 F815 A816 Y817	R725-L772 HydrophobicContact CG-CD2 3.86Å; E730-L772 HydrophobicContact CB-CD1 4.47Å; E730-L772 HydrophobicContact CB-CD2 3.83Å; E730-L772 HydrophobicContact CG-CD1 4.12Å; E730-L772 HydrophobicContact CG-CD2 3.6Å; E730-L772 HydrophobicContact CG-CG 4.47Å; E739-L772 PolarHBondContact O-N 3.36Å; A740-L772 WeakPolarHBondContact O-CD2 3.39Å; L772-T801 HydrophobicContact CD1-CG2 4.16Å; L772-F815 HydrophobicContact CD1-CB 4.24Å; L772-F815 HydrophobicContact CD1-CD1 4.47Å; L772-F815 HydrophobicContact CD2-CD1 3.92Å; L772-F815 HydrophobicContact CD2-CE1 4.17Å; L772-F815 HydrophobicContact CD2-CG 4.43Å; L772-F815 HydrophobicContact CG-CD1 4.01Å; L772-A816 CarbonylContact C-O 3.57Å; L772-A816 VanDerWaalsContact CA-O 3.29Å; L772-A816 WeakPolarHBondContact CA-O 3.32Å; L772-Y817 HydrophobicContact CB-CD1 4.35Å; L772-Y817 HydrophobicContact CB-CE1 3.95Å; L772-Y817 HydrophobicContact CD1-CD2 3.98Å; L772-Y817 HydrophobicContact CD1-CE1 4.44Å; L772-Y817 HydrophobicContact CD1-CE2 3.8Å; L772-Y817 HydrophobicContact CD1-CG 4.35Å
773	V	98.9	Very high	98.6	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.036	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	167.6	177.3	-59.8	0	0	0	0	110.9	L775 F815 A816 V818 V842 Q845	V773-L775 HydrophobicContact CG2-CD2 4.24Å; V773-F815 WeakPolarHBondContact O-CA 3.33Å; V773-F815 WeakPolarHBondContact O-CD1 3.49Å; V773-A816 HydrophobicContact CG2-CB 4.07Å; V773-A816 PolarHBondContact N-O 3.01Å; V773-A816 PolarHBondContact O-N 3.33Å; V773-V818 HydrophobicContact CB-CG2 4.41Å; V773-V818 HydrophobicContact CG1-CG2 3.81Å; V773-V818 HydrophobicContact CG2-CG1 4.17Å; V773-V818 HydrophobicContact CG2-CG2 3.67Å; V773-V842 HydrophobicContact CB-CG1 4Å; V773-V842 HydrophobicContact CB-CG2 4.43Å; V773-V842 HydrophobicContact CG1-CG1 4.26Å; V773-V842 HydrophobicContact CG2-CG2 4.1Å; V773-Q845 VanDerWaalsContact C-NE2 3.3Å
774	C	98.9	Very high	98.6	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.027	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.8	176.4	-176.8	0	0	0	0	108.4	A814 F815 V842 I843 Q845	C774-A814 CarbonylContact C-O 3.59Å; C774-A814 WeakPolarHBondContact CA-O 3.34Å; C774-F815 HydrophobicContact CB-CD1 4.29Å; C774-F815 HydrophobicContact CB-CE1 4.19Å; C774-V842 WeakPolarHBondContact O-CA 3.1Å; C774-I843 HydrophobicContact CB-CG1 4.06Å; C774-I843 WeakPolarHBondContact O-CG1 3.42Å; C774-I843 PolarHBondContact O-N 2.87Å; C774-Q845 HydrophobicContact CB-CG 3.43Å; C774-Q845 VanDerWaalsContact CB-CG 3.43Å
775	L	98.9	Very high	98.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.3	-175.3	-60.7	177.5	0	0	0	109.9	V773 I790 L813 A814 A816 V829 V831 A840 V841 V842	V773-L775 HydrophobicContact CG2-CD2 4.24Å; L775-I790 HydrophobicContact CD1-CD1 4.01Å; L775-L813 WeakPolarHBondContact O-CA 3.28Å; L775-L813 WeakPolarHBondContact O-CD2 3.16Å; L775-A814 HydrophobicContact CB-CB 4.43Å; L775-A814 PolarHBondContact N-O 3.48Å; L775-A814 PolarHBondContact O-N 3.07Å; L775-A816 HydrophobicContact CD1-CB 3.67Å; L775-A816 HydrophobicContact CG-CB 4.12Å; L775-V829 HydrophobicContact CD1-CG2 4.06Å; L775-V829 HydrophobicContact CD2-CG2 3.89Å; L775-V831 HydrophobicContact CD1-CG2 4.03Å; L775-A840 HydrophobicContact CB-CB 4.26Å; L775-A840 HydrophobicContact CD1-CB 4.33Å; L775-V841 VanDerWaalsContact CA-O 3.32Å; L775-V841 WeakPolarHBondContact CA-O 3.46Å; L775-V842 HydrophobicContact CD2-CB 4.36Å; L775-V842 HydrophobicContact CD2-CG2 3.62Å
776	T	98.9	Very high	98.6	Very high	14 Å²	14	45.4 Å²	45.4	9%	0.086	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.4	160.6	56.4	0	0	0	0	110	I809 S812 L813 A840 V841 I843	T776-I809 HydrophobicContact CG2-CD1 3.7Å; T776-S812 WeakPolarHBondContact CA-O 3.13Å; T776-L813 HydrophobicContact CG2-CD2 3.5Å; T776-L813 VanDerWaalsContact CG2-CD2 3.5Å; T776-A840 WeakPolarHBondContact O-CA 3.48Å; T776-V841 PolarHBondContact N-O 2.98Å; T776-V841 PolarHBondContact O-N 3.37Å; T776-V841 VanDerWaalsContact OG1-CG1 3.25Å; T776-V841 WeakPolarHBondContact OG1-CG1 3.34Å; T776-I843 HydrophobicContact CG2-CD1 3.87Å; T776-I843 HydrophobicContact CG2-CG1 4.35Å; T776-I843 HydrophobicContact CG2-CG2 3.76Å; T776-I843 WeakPolarHBondContact OG1-CG2 3.39Å
777	L	98.7	Very high	98.6	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.6	174.5	54.5	145.8	0	0	0	111	T779 P784 K811 S812 V831 L833 Y838 P839 A840	L777-T779 HydrophobicContact CD1-CG2 3.55Å; L777-T779 HydrophobicContact CG-CG2 4.24Å; L777-P784 HydrophobicContact CD2-CG 4.39Å; L777-K811 WeakPolarHBondContact O-CB 3.22Å; L777-S812 PolarHBondContact N-O 3.13Å; L777-S812 VanDerWaalsContact N-O 3.07Å; L777-S812 PolarHBondContact O-N 3.33Å; L777-V831 HydrophobicContact CD1-CB 4.41Å; L777-V831 HydrophobicContact CD2-CG2 4.34Å; L777-L833 HydrophobicContact CD1-CD1 3.96Å; L777-Y838 HydrophobicContact CD1-CG 4.48Å; L777-P839 VanDerWaalsContact CB-O 3.31Å; L777-P839 WeakPolarHBondContact CB-O 3.24Å; L777-A840 HydrophobicContact CB-CB 3.87Å; L777-A840 HydrophobicContact CD2-CB 4.14Å
778	A	98.8	Very high	98.7	Very high	63 Å²	63	37.8 Å²	37.8	52%	0.521	19%	0.19	S	C	.	.			trans	-87.9	128.4	171.6	0	0	0	0	0	108.8	Y838	A778-Y838 WeakPolarHBondContact O-CD1 3.33Å
779	T	98.7	Very high	98.7	Very high	26 Å²	26	35.6 Å²	35.6	16%	0.16	18%	0.179	C	C	.	.			trans	-124.8	160.7	178.1	63.2	0	0	0	0	110.5	R511 L777 V782 S812 L833 Y838	R511-T779 PolarHBondContact NH2-OG1 3.49Å; L777-T779 HydrophobicContact CD1-CG2 3.55Å; L777-T779 HydrophobicContact CG-CG2 4.24Å; T779-V782 WeakPolarHBondContact CB-O 3.29Å; T779-V782 WeakPolarHBondContact CG2-O 3.18Å; T779-V782 PolarHBondContact OG1-O 2.84Å; T779-S812 WeakPolarHBondContact CG2-OG 3.46Å; T779-S812 PolarHBondContact OG1-OG 2.96Å; T779-L833 HydrophobicContact CG2-CD1 4.12Å; T779-Y838 HydrophobicContact CG2-CD1 3.91Å; T779-Y838 HydrophobicContact CG2-CE1 4.18Å; T779-Y838 HydrophobicContact CG2-CG 4.28Å
780	D	97.3	Very high	98.7	Very high	82 Å²	82	27.8 Å²	27.8	44%	0.439	15%	0.145	S	C	.	.	S	Bend	trans	-82.1	-66.9	175.6	36.1	17.2	0	0	0	110.8	R511 K836 Y838	R511-D780 PolarHBondContact NH1-O 3.17Å; D780-K836 IonicContact OD2-NZ 2.91Å; D780-K836 PolarHBondContact OD2-NZ 3.32Å; D780-Y838 VanDerWaalsContact CG-OH 3.28Å; D780-Y838 WeakPolarHBondContact OD1-CE1 3.37Å; D780-Y838 PolarHBondContact OD1-OH 2.83Å; D780-Y838 PolarHBondContact OD2-OH 3.46Å
781	D	98.4	Very high	98.7	Very high	68 Å²	68	27 Å²	27	36%	0.364	14%	0.142	S	C	.	.	S	Bend	trans	-136.8	3.9	-169	65.2	8.1	0	0	0	114.9	R510 R511	R510-D781 WeakPolarHBondContact CB-O 3.26Å; R510-D781 VanDerWaalsContact CD-OD2 3.27Å; R510-D781 WeakPolarHBondContact CD-OD2 3.3Å; R510-D781 IonicContact NE-OD1 3.03Å; R510-D781 IonicContact NE-OD2 3.75Å; R510-D781 PolarHBondContact NE-OD2 3.12Å; R511-D781 WeakPolarHBondContact CB-O 3.5Å; R511-D781 VanDerWaalsContact CG-O 3.25Å; R511-D781 WeakPolarHBondContact CG-O 3.33Å; R511-D781 PolarHBondContact N-O 2.91Å
782	V	98.8	Very high	98.7	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.048	14%	0.138	C	C	.	.			trans	-129.7	149.4	-177.2	63.4	0	0	0	0	110.9	F509 R510 T779 L833 L834 Y838	F509-V782 WeakPolarHBondContact O-CG2 3.47Å; R510-V782 HydrophobicContact CG-CB 4.34Å; T779-V782 WeakPolarHBondContact CB-O 3.29Å; T779-V782 WeakPolarHBondContact CG2-O 3.18Å; T779-V782 PolarHBondContact OG1-O 2.84Å; V782-L833 HydrophobicContact CG1-CB 4.04Å; V782-L833 HydrophobicContact CG1-CD1 4.12Å; V782-L834 HydrophobicContact CG2-CD1 4.35Å; V782-Y838 HydrophobicContact CG1-CE2 4.34Å
783	D	98.9	Very high	98.7	Very high	29 Å²	29	31.9 Å²	31.9	16%	0.155	17%	0.17	C	C	.	.			trans	-123.1	145	172.2	-63.6	-65.3	0	0	0	109	R511 Y805 S812	R511-D783 WeakPolarHBondContact CG-OD2 3.29Å; R511-D783 IonicContact CZ-OD1 3.55Å; R511-D783 IonicContact CZ-OD2 3.43Å; R511-D783 IonicContact NE-OD1 2.74Å; R511-D783 IonicContact NE-OD2 3.77Å; R511-D783 PolarHBondContact NE-OD2 3.44Å; R511-D783 IonicContact NH2-OD1 3.4Å; R511-D783 PolarHBondContact NH2-OD1 2.98Å; R511-D783 IonicContact NH2-OD2 2.86Å; R511-D783 PolarHBondContact NH2-OD2 2.89Å; D783-Y805 WeakPolarHBondContact OD1-CD2 3.38Å; D783-S812 WeakPolarHBondContact OD1-CB 3.26Å; D783-S812 PolarHBondContact OD1-OG 2.96Å
784	P	98.9	Very high	98.6	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.019	20%	0.198	C	C	.	.			trans	-63	146.4	171.4	28.4	-32.7	0	0	0	110.1	L777 E788 G803 S804 S812 A814 L833	L777-P784 HydrophobicContact CD2-CG 4.39Å; P784-E788 WeakPolarHBondContact CA-OE1 3.37Å; P784-G803 CarbonylContact O-C 3.19Å; P784-G803 WeakPolarHBondContact O-CA 3.49Å; P784-S804 PolarHBondContact O-N 2.57Å; P784-S812 VanDerWaalsContact CD-CB 3.48Å; P784-A814 HydrophobicContact CB-CB 4.29Å; P784-A814 HydrophobicContact CG-CB 3.93Å; P784-L833 HydrophobicContact CB-CD1 4.47Å; P784-L833 HydrophobicContact CB-CD2 4.02Å
785	E	98.8	Very high	98.6	Very high	37 Å²	37	41.5 Å²	41.5	17%	0.173	23%	0.228	C	C	.	.			trans	-115.2	-14.5	173	65.1	163	-172.4	0	0	113.8	Y149 P458 K459 E788 S802 G803	Y149-E785 WeakPolarHBondContact CE2-OE1 3.38Å; Y149-E785 PolarHBondContact OH-OE1 2.79Å; P458-E785 WeakPolarHBondContact CB-OE1 3.5Å; P458-E785 VanDerWaalsContact CB-OE2 3.24Å; P458-E785 WeakPolarHBondContact CB-OE2 3.35Å; K459-E785 WeakPolarHBondContact CE-OE2 3.45Å; K459-E785 IonicContact NZ-OE2 3.6Å; K459-E785 PolarHBondContact NZ-OE2 3.01Å; E785-E788 PolarHBondContact N-OE1 2.94Å; E785-S802 WeakPolarHBondContact O-CA 3.43Å; E785-G803 PolarHBondContact O-N 3.05Å
786	G	98.6	Very high	98.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	24%	0.241	C	C	.	.	S	Bend	trans	115.2	150.7	-171	0	0	0	0	0	112.2	E788 T800	G786-E788 VanDerWaalsContact C-OE2 3.24Å; G786-E788 VanDerWaalsContact CA-OE2 3.23Å; G786-E788 WeakPolarHBondContact CA-OE2 3.49Å; G786-E788 PolarHBondContact N-OE1 2.83Å; G786-E788 PolarHBondContact N-OE2 2.76Å; G786-T800 WeakPolarHBondContact CA-OG1 3.46Å
787	N	98.8	Very high	98.6	Very high	44 Å²	44	44.9 Å²	44.9	24%	0.235	25%	0.249	C	C	.	.			trans	75.2	12.4	-175.4	-46.6	-75	0	0	0	115.7	I103 R153 W156 T800	I103-N787 HydrophobicContact CD1-CB 3.56Å; I103-N787 HydrophobicContact CG1-CB 4.2Å; R153-N787 VanDerWaalsContact CA-O 3.31Å; R153-N787 WeakPolarHBondContact CA-O 3.14Å; R153-N787 HydrophobicContact CG-CB 4.33Å; W156-N787 HydrophobicContact CZ2-CB 4.19Å; W156-N787 PolarHBondContact NE1-O 2.71Å; N787-T800 WeakPolarHBondContact CA-O 3.48Å; N787-T800 PolarHBondContact N-O 3.15Å; N787-T800 PolarHBondContact N-OG1 2.86Å
788	E	98.9	Very high	98.6	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.033	25%	0.254	C	S	.	.			trans	-83	145	174.5	-57.7	101.6	166.1	0	0	111.6	T152 P784 E785 G786 N799 T800 V831 L833	T152-E788 HydrophobicContact CG2-CB 4.35Å; T152-E788 HydrophobicContact CG2-CG 4.04Å; T152-E788 WeakPolarHBondContact OG1-CA 3.34Å; T152-E788 WeakPolarHBondContact OG1-CB 3.36Å; P784-E788 WeakPolarHBondContact CA-OE1 3.37Å; E785-E788 PolarHBondContact N-OE1 2.94Å; G786-E788 VanDerWaalsContact C-OE2 3.24Å; G786-E788 VanDerWaalsContact CA-OE2 3.23Å; G786-E788 WeakPolarHBondContact CA-OE2 3.49Å; G786-E788 PolarHBondContact N-OE1 2.83Å; G786-E788 PolarHBondContact N-OE2 2.76Å; E788-N799 CarbonylContact O-C 3.35Å; E788-N799 WeakPolarHBondContact O-CA 3.23Å; E788-T800 PolarHBondContact N-OG1 2.77Å; E788-T800 PolarHBondContact O-N 2.97Å; E788-T800 PolarHBondContact O-OG1 3.05Å; E788-T800 PolarHBondContact OE2-OG1 3.42Å; E788-V831 HydrophobicContact CB-CG1 4.19Å; E788-L833 HydrophobicContact CB-CD2 4.09Å; E788-L833 HydrophobicContact CG-CD2 3.65Å
789	S	98.9	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	138	-179.9	-70	0	0	0	0	111.5	T152 G155 W156 E832	T152-S789 WeakPolarHBondContact O-CB 3.48Å; T152-S789 PolarHBondContact O-N 3.2Å; T152-S789 PolarHBondContact O-OG 3.16Å; T152-S789 PolarHBondContact OG1-N 2.85Å; G155-S789 WeakPolarHBondContact CA-OG 3.21Å; W156-S789 PolarHBondContact N-OG 3.44Å; S789-E832 PolarHBondContact O-N 3.48Å
790	I	98.9	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.3	175.3	-59.9	173.7	0	0	0	109.1	L775 V796 V797 G798 N799 T800 A816 V818 V829 E830 V831	L775-I790 HydrophobicContact CD1-CD1 4.01Å; I790-V796 CarbonylContact O-C 3.44Å; I790-V796 WeakPolarHBondContact O-CA 3.44Å; I790-V797 HydrophobicContact CG2-CG2 4.19Å; I790-V797 PolarHBondContact O-N 3.37Å; I790-G798 PolarHBondContact N-O 3.01Å; I790-N799 VanDerWaalsContact CD1-C 3.42Å; I790-T800 HydrophobicContact CD1-CG2 4.05Å; I790-T800 HydrophobicContact CG1-CG2 4.15Å; I790-A816 HydrophobicContact CD1-CB 3.22Å; I790-V818 HydrophobicContact CD1-CG1 4.3Å; I790-V818 HydrophobicContact CG2-CG1 4.45Å; I790-V829 HydrophobicContact CG2-CB 3.76Å; I790-V829 HydrophobicContact CG2-CG1 4.24Å; I790-V829 HydrophobicContact CG2-CG2 3.79Å; I790-E830 CarbonylContact C-O 3.51Å; I790-E830 WeakPolarHBondContact CA-O 3.07Å; I790-V831 HydrophobicContact CG1-CG2 4.43Å
791	W	98.9	Very high	98.7	Very high	67 Å²	67	38.5 Å²	38.5	25%	0.254	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.9	-177	-66	79.7	0	0	0	111.5	G794 K795 V796 E830 E832	W791-G794 WeakPolarHBondContact CZ3-O 3.4Å; W791-K795 CarbonylContact C-O 3.5Å; W791-K795 VanDerWaalsContact CA-O 3.29Å; W791-K795 WeakPolarHBondContact CA-O 3.45Å; W791-V796 HydrophobicContact CD2-CG2 3.76Å; W791-V796 VanDerWaalsContact CE2-CG2 3.44Å; W791-V796 HydrophobicContact CE3-CG2 4.13Å; W791-V796 HydrophobicContact CG-CG2 4.37Å; W791-V796 HydrophobicContact CH2-CG2 3.92Å; W791-V796 HydrophobicContact CZ2-CG2 3.53Å; W791-V796 HydrophobicContact CZ3-CG2 4.2Å; W791-E830 HydrophobicContact CB-CB 4.1Å; W791-E830 PolarHBondContact N-O 3.07Å; W791-E830 PolarHBondContact O-N 3.38Å; W791-E832 PolarHBondContact NE1-OE2 3.05Å
792	Y	98.8	Very high	98.7	Very high	78 Å²	78	35.5 Å²	35.5	31%	0.306	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	124.2	168.2	-178	-107.3	0	0	0	108.8	G794 K795 L822 Q828 V829	Y792-G794 VanDerWaalsContact C-N 3.32Å; Y792-G794 PolarHBondContact O-N 3.44Å; Y792-K795 PolarHBondContact N-O 3.21Å; Y792-K795 PolarHBondContact O-N 2.9Å; Y792-K795 VanDerWaalsContact O-N 3.17Å; Y792-L822 HydrophobicContact CD1-CD1 3.71Å; Y792-L822 HydrophobicContact CD1-CD2 3.82Å; Y792-L822 HydrophobicContact CD1-CG 4.45Å; Y792-L822 HydrophobicContact CE1-CD1 4.38Å; Y792-L822 HydrophobicContact CE1-CD2 3.63Å; Y792-L822 HydrophobicContact CE2-CD2 4.41Å; Y792-L822 HydrophobicContact CG-CD1 3.9Å; Y792-L822 HydrophobicContact CG-CD2 4.28Å; Y792-Q828 WeakPolarHBondContact CD2-O 3.16Å; Y792-Q828 WeakPolarHBondContact CE2-O 3.47Å; Y792-V829 HydrophobicContact CD2-CG1 4.46Å
793	N	98	Very high	98.7	Very high	129 Å²	129	35.4 Å²	35.4	69%	0.69	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	47.5	-178.9	-64.2	-19.8	0	0	0	113.8	K795	N793-K795 VanDerWaalsContact C-N 3.31Å; N793-K795 PolarHBondContact O-N 3.43Å
794	G	97.3	Very high	98.7	Very high	60 Å²	60	34.6 Å²	34.6	62%	0.619	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.8	13.5	176	0	0	0	0	0	115.3	W791 Y792	W791-G794 WeakPolarHBondContact CZ3-O 3.4Å; Y792-G794 VanDerWaalsContact C-N 3.32Å; Y792-G794 PolarHBondContact O-N 3.44Å
795	K	98.4	Very high	98.7	Very high	152 Å²	152	36.3 Å²	36.3	66%	0.661	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.9	174.5	-63.3	-176.4	-178.8	-179.7	0	111.2	W791 Y792 N793 V797	W791-K795 CarbonylContact C-O 3.5Å; W791-K795 VanDerWaalsContact CA-O 3.29Å; W791-K795 WeakPolarHBondContact CA-O 3.45Å; Y792-K795 PolarHBondContact N-O 3.21Å; Y792-K795 PolarHBondContact O-N 2.9Å; Y792-K795 VanDerWaalsContact O-N 3.17Å; N793-K795 VanDerWaalsContact C-N 3.31Å; N793-K795 PolarHBondContact O-N 3.43Å; K795-V797 PolarHBondContact O-N 3.19Å
796	V	98.8	Very high	98.7	Very high	44 Å²	44	34.6 Å²	34.6	27%	0.267	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127.5	166.6	-178.9	0	0	0	0	108.8	W156 I790 W791	W156-V796 HydrophobicContact CB-CG1 3.86Å; I790-V796 CarbonylContact O-C 3.44Å; I790-V796 WeakPolarHBondContact O-CA 3.44Å; W791-V796 HydrophobicContact CD2-CG2 3.76Å; W791-V796 VanDerWaalsContact CE2-CG2 3.44Å; W791-V796 HydrophobicContact CE3-CG2 4.13Å; W791-V796 HydrophobicContact CG-CG2 4.37Å; W791-V796 HydrophobicContact CH2-CG2 3.92Å; W791-V796 HydrophobicContact CZ2-CG2 3.53Å; W791-V796 HydrophobicContact CZ3-CG2 4.2Å
797	V	98.8	Very high	98.7	Very high	42 Å²	42	35.9 Å²	35.9	26%	0.255	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-9.5	-178.4	-65.8	0	0	0	0	113	I790 K795 P819 L822	I790-V797 HydrophobicContact CG2-CG2 4.19Å; I790-V797 PolarHBondContact O-N 3.37Å; K795-V797 PolarHBondContact O-N 3.19Å; V797-P819 HydrophobicContact CB-CG 4.15Å; V797-P819 VanDerWaalsContact O-CD 3.3Å; V797-P819 WeakPolarHBondContact O-CD 3.48Å; V797-L822 HydrophobicContact CB-CD1 4.13Å; V797-L822 HydrophobicContact CG1-CD1 4.05Å; V797-L822 HydrophobicContact CG2-CD1 3.99Å
798	G	98.8	Very high	98.7	Very high	12 Å²	12	36.5 Å²	36.5	12%	0.124	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	-162.9	-178.7	0	0	0	0	0	112.2	I790 Y817	I790-G798 PolarHBondContact N-O 3.01Å; G798-Y817 VanDerWaalsContact CA-O 3.31Å; G798-Y817 WeakPolarHBondContact CA-O 3.45Å
799	N	98.9	Very high	98.7	Very high	18 Å²	18	39.2 Å²	39.2	10%	0.096	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.9	-178.9	68.4	-78.4	0	0	0	111.4	W156 E788 I790 A816 Y817	W156-N799 HydrophobicContact CB-CB 4.18Å; W156-N799 HydrophobicContact CD2-CB 3.71Å; W156-N799 HydrophobicContact CE3-CB 4.39Å; W156-N799 HydrophobicContact CG-CB 3.6Å; W156-N799 HydrophobicContact CZ2-CB 4.42Å; E788-N799 CarbonylContact O-C 3.35Å; E788-N799 WeakPolarHBondContact O-CA 3.23Å; I790-N799 VanDerWaalsContact CD1-C 3.42Å; N799-A816 CarbonylContact O-C 3.14Å; N799-A816 VanDerWaalsContact O-CA 3.32Å; N799-A816 WeakPolarHBondContact O-CA 3.49Å; N799-Y817 PolarHBondContact N-O 2.91Å; N799-Y817 PolarHBondContact O-N 3.47Å
800	T	98.9	Very high	98.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	152	165.7	59.9	0	0	0	0	109.8	G786 N787 E788 I790 A814 F815 V831	G786-T800 WeakPolarHBondContact CA-OG1 3.46Å; N787-T800 WeakPolarHBondContact CA-O 3.48Å; N787-T800 PolarHBondContact N-O 3.15Å; N787-T800 PolarHBondContact N-OG1 2.86Å; E788-T800 PolarHBondContact N-OG1 2.77Å; E788-T800 PolarHBondContact O-N 2.97Å; E788-T800 PolarHBondContact O-OG1 3.05Å; E788-T800 PolarHBondContact OE2-OG1 3.42Å; I790-T800 HydrophobicContact CD1-CG2 4.05Å; I790-T800 HydrophobicContact CG1-CG2 4.15Å; T800-A814 HydrophobicContact CG2-CB 3.88Å; T800-F815 CarbonylContact C-O 3.57Å; T800-F815 WeakPolarHBondContact CA-O 3.26Å; T800-F815 WeakPolarHBondContact CB-O 3.25Å; T800-V831 HydrophobicContact CG2-CG1 3.98Å; T800-V831 HydrophobicContact CG2-CG2 4.49Å
801	T	98.9	Very high	98.7	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-35	176.1	55.3	0	0	0	0	112.6	S729 E730 L772 F815 Y817	S729-T801 WeakPolarHBondContact O-CB 3.49Å; E730-T801 WeakPolarHBondContact CG-OG1 3.27Å; E730-T801 WeakPolarHBondContact OE1-CB 3.44Å; E730-T801 PolarHBondContact OE1-OG1 3.04Å; L772-T801 HydrophobicContact CD1-CG2 4.16Å; T801-F815 PolarHBondContact N-O 3.29Å; T801-F815 WeakPolarHBondContact OG1-CB 3.47Å; T801-Y817 HydrophobicContact CG2-CD2 3.68Å; T801-Y817 HydrophobicContact CG2-CE2 3.93Å
802	S	98.9	Very high	98.7	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	160.1	173.1	-61.4	0	0	0	0	109.6	R719 S729 E730 E785 A814 F815	R719-S802 PolarHBondContact NH2-OG 3.37Å; S729-S802 VanDerWaalsContact CB-OG 3.29Å; S729-S802 WeakPolarHBondContact CB-OG 3.28Å; E730-S802 WeakPolarHBondContact OE1-CB 3.24Å; E730-S802 PolarHBondContact OE1-N 2.84Å; E730-S802 PolarHBondContact OE1-OG 3.27Å; E785-S802 WeakPolarHBondContact O-CA 3.43Å; S802-A814 CarbonylContact O-C 3.38Å; S802-A814 VanDerWaalsContact O-CA 3.26Å; S802-A814 WeakPolarHBondContact O-CA 3.47Å; S802-F815 PolarHBondContact O-N 2.89Å
803	G	98.9	Very high	98.7	Very high	5 Å²	5	43.8 Å²	43.8	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	168.3	166.6	0	0	0	0	0	114.1	N716 L720 P784 E785 L813	N716-G803 PolarHBondContact ND2-O 3.2Å; L720-G803 VanDerWaalsContact CD1-C 3.42Å; P784-G803 CarbonylContact O-C 3.19Å; P784-G803 WeakPolarHBondContact O-CA 3.49Å; E785-G803 PolarHBondContact O-N 3.05Å; G803-L813 CarbonylContact C-O 3.48Å; G803-L813 WeakPolarHBondContact CA-O 3.47Å
804	S	98.9	Very high	98.7	Very high	13 Å²	13	37.7 Å²	37.7	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	169.1	171.4	73.4	0	0	0	0	110.7	L720 P784 S812 L813	L720-S804 VanDerWaalsContact CD1-OG 3.28Å; L720-S804 WeakPolarHBondContact CD1-OG 3.28Å; P784-S804 PolarHBondContact O-N 2.57Å; S804-S812 CarbonylContact O-C 3.28Å; S804-S812 WeakPolarHBondContact O-CA 3.18Å; S804-L813 PolarHBondContact N-O 2.84Å; S804-L813 PolarHBondContact O-N 3.17Å
805	Y	98.9	Very high	98.8	Very high	39 Å²	39	34.8 Å²	34.8	15%	0.153	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.8	158.2	-167	-113.4	0	0	0	110.4	R511 F515 D783 Y807 Q810	R511-Y805 VanDerWaalsContact NH2-CD2 3.3Å; F515-Y805 AromaticContact CE2-CD1 3.9Å; F515-Y805 HydrophobicContact CE2-CD1 3.9Å; F515-Y805 HydrophobicContact CE2-CD2 4.32Å; F515-Y805 AromaticContact CE2-CG 3.75Å; F515-Y805 HydrophobicContact CE2-CG 3.75Å; F515-Y805 AromaticContact CZ-CD1 3.56Å; F515-Y805 HydrophobicContact CZ-CD1 3.56Å; F515-Y805 HydrophobicContact CZ-CD2 4.15Å; F515-Y805 AromaticContact CZ-CE1 3.75Å; F515-Y805 HydrophobicContact CZ-CE1 3.75Å; F515-Y805 HydrophobicContact CZ-CE2 4.33Å; F515-Y805 AromaticContact CZ-CG 3.74Å; F515-Y805 HydrophobicContact CZ-CG 3.74Å; D783-Y805 WeakPolarHBondContact OD1-CD2 3.38Å; Y805-Y807 AromaticContact CD1-CD1 3.58Å; Y805-Y807 HydrophobicContact CD1-CD1 3.58Å; Y805-Y807 HydrophobicContact CD1-CD2 4.23Å; Y805-Y807 AromaticContact CD1-CE1 3.69Å; Y805-Y807 HydrophobicContact CD1-CE1 3.69Å; Y805-Y807 HydrophobicContact CD1-CE2 4.31Å; Y805-Y807 AromaticContact CD1-CG 3.87Å; Y805-Y807 HydrophobicContact CD1-CG 3.87Å; Y805-Y807 AromaticContact CE1-CD1 3.84Å; Y805-Y807 HydrophobicContact CE1-CD1 3.84Å; Y805-Y807 HydrophobicContact CE1-CE1 4.22Å; Y805-Y807 HydrophobicContact CE1-CG 4.3Å; Y805-Q810 WeakPolarHBondContact OH-CA 3.49Å; Y805-Q810 WeakPolarHBondContact OH-CB 3.5Å
806	S	98.8	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	107.8	166	169.2	0	0	0	0	108.9	E721 S808 I809 Q810 K811	E721-S806 PolarHBondContact OE1-OG 2.8Å; S806-S808 PolarHBondContact O-N 2.87Å; S806-S808 PolarHBondContact OG-OG 2.85Å; S806-I809 PolarHBondContact O-N 3Å; S806-I809 WeakPolarHBondContact OG-CG1 3.14Å; S806-Q810 WeakPolarHBondContact O-CA 3.47Å; S806-Q810 PolarHBondContact O-N 3.05Å; S806-K811 WeakPolarHBondContact CA-O 3.49Å; S806-K811 WeakPolarHBondContact CB-O 3.45Å; S806-K811 PolarHBondContact N-O 2.81Å; S806-K811 PolarHBondContact O-N 3.32Å
807	Y	98.7	Very high	98.8	Very high	28 Å²	28	25.9 Å²	25.9	11%	0.11	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.3	-178.7	-63.8	-86.7	0	0	0	113	F515 V518 G519 Y522 A717 Y805	F515-Y807 HydrophobicContact CZ-CE1 4.35Å; F515-Y807 WeakPolarHBondContact O-CE1 3.31Å; F515-Y807 PolarHBondContact O-OH 3.39Å; V518-Y807 WeakPolarHBondContact CB-OH 3.46Å; V518-Y807 HydrophobicContact CG1-CE2 3.93Å; V518-Y807 WeakPolarHBondContact CG1-OH 3.37Å; G519-Y807 VanDerWaalsContact CA-CZ 3.44Å; G519-Y807 PolarHBondContact N-OH 2.88Å; Y522-Y807 HydrophobicContact CD1-CD2 4.32Å; Y522-Y807 HydrophobicContact CD1-CG 4.27Å; Y522-Y807 HydrophobicContact CD2-CD2 4.35Å; Y522-Y807 AromaticContact CG-CD2 3.96Å; Y522-Y807 HydrophobicContact CG-CD2 3.96Å; Y522-Y807 HydrophobicContact CG-CG 4.35Å; A717-Y807 HydrophobicContact CB-CD2 4.35Å; A717-Y807 HydrophobicContact CB-CE2 4.18Å; Y805-Y807 AromaticContact CD1-CD1 3.58Å; Y805-Y807 HydrophobicContact CD1-CD1 3.58Å; Y805-Y807 HydrophobicContact CD1-CD2 4.23Å; Y805-Y807 AromaticContact CD1-CE1 3.69Å; Y805-Y807 HydrophobicContact CD1-CE1 3.69Å; Y805-Y807 HydrophobicContact CD1-CE2 4.31Å; Y805-Y807 AromaticContact CD1-CG 3.87Å; Y805-Y807 HydrophobicContact CD1-CG 3.87Å; Y805-Y807 AromaticContact CE1-CD1 3.84Å; Y805-Y807 HydrophobicContact CE1-CD1 3.84Å; Y805-Y807 HydrophobicContact CE1-CE1 4.22Å; Y805-Y807 HydrophobicContact CE1-CG 4.3Å
808	S	98.4	Very high	98.8	Very high	57 Å²	57	24 Å²	24	40%	0.399	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-39.4	178.5	62.6	0	0	0	0	113.3	Y522 E721 S806	Y522-S808 WeakPolarHBondContact OH-CB 3.34Å; E721-S808 WeakPolarHBondContact OE1-CB 3.34Å; E721-S808 PolarHBondContact OE1-OG 2.78Å; S806-S808 PolarHBondContact O-N 2.87Å; S806-S808 PolarHBondContact OG-OG 2.85Å
809	I	98.6	Very high	98.8	Very high	65 Å²	65	24.6 Å²	24.6	33%	0.333	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	0	-179	66	162.7	0	0	0	113.9	T776 S806 K811 L847	T776-I809 HydrophobicContact CG2-CD1 3.7Å; S806-I809 PolarHBondContact O-N 3Å; S806-I809 WeakPolarHBondContact OG-CG1 3.14Å; I809-K811 VanDerWaalsContact C-N 3.31Å; I809-K811 HydrophobicContact CD1-CB 4.03Å; I809-K811 HydrophobicContact CG1-CB 4.17Å; I809-K811 PolarHBondContact O-N 2.9Å; I809-L847 HydrophobicContact CD1-CD1 4.27Å; I809-L847 HydrophobicContact CD1-CD2 3.8Å; I809-L847 HydrophobicContact CG1-CD2 4.05Å; I809-L847 HydrophobicContact CG2-CD1 4.3Å; I809-L847 HydrophobicContact CG2-CD2 4.09Å
810	Q	98.7	Very high	98.8	Very high	149 Å²	149	26.2 Å²	26.2	70%	0.696	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	42.2	179.2	-59.8	-176.1	-36.9	0	0	113.8	Y805 S806	Y805-Q810 WeakPolarHBondContact OH-CA 3.49Å; Y805-Q810 WeakPolarHBondContact OH-CB 3.5Å; S806-Q810 WeakPolarHBondContact O-CA 3.47Å; S806-Q810 PolarHBondContact O-N 3.05Å
811	K	98.7	Very high	98.8	Very high	91 Å²	91	32.4 Å²	32.4	40%	0.396	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.1	179	-70.3	-175.6	-176.3	180	0	109.4	L777 S806 I809	L777-K811 WeakPolarHBondContact O-CB 3.22Å; S806-K811 WeakPolarHBondContact CA-O 3.49Å; S806-K811 WeakPolarHBondContact CB-O 3.45Å; S806-K811 PolarHBondContact N-O 2.81Å; S806-K811 PolarHBondContact O-N 3.32Å; I809-K811 VanDerWaalsContact C-N 3.31Å; I809-K811 HydrophobicContact CD1-CB 4.03Å; I809-K811 HydrophobicContact CG1-CB 4.17Å; I809-K811 PolarHBondContact O-N 2.9Å
812	S	98.9	Very high	98.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	148.8	171.9	-36.4	0	0	0	0	111.4	T776 L777 T779 D783 P784 S804	T776-S812 WeakPolarHBondContact CA-O 3.13Å; L777-S812 PolarHBondContact N-O 3.13Å; L777-S812 VanDerWaalsContact N-O 3.07Å; L777-S812 PolarHBondContact O-N 3.33Å; T779-S812 WeakPolarHBondContact CG2-OG 3.46Å; T779-S812 PolarHBondContact OG1-OG 2.96Å; D783-S812 WeakPolarHBondContact OD1-CB 3.26Å; D783-S812 PolarHBondContact OD1-OG 2.96Å; P784-S812 VanDerWaalsContact CD-CB 3.48Å; S804-S812 CarbonylContact O-C 3.28Å; S804-S812 WeakPolarHBondContact O-CA 3.18Å
813	L	98.9	Very high	98.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.2	169.4	-80.2	176.2	0	0	0	109.8	L720 E721 L775 T776 G803 S804 I843 L847	L720-L813 HydrophobicContact CB-CD1 4.5Å; E721-L813 HydrophobicContact CG-CD1 3.86Å; L775-L813 WeakPolarHBondContact O-CA 3.28Å; L775-L813 WeakPolarHBondContact O-CD2 3.16Å; T776-L813 HydrophobicContact CG2-CD2 3.5Å; T776-L813 VanDerWaalsContact CG2-CD2 3.5Å; G803-L813 CarbonylContact C-O 3.48Å; G803-L813 WeakPolarHBondContact CA-O 3.47Å; S804-L813 PolarHBondContact N-O 2.84Å; S804-L813 PolarHBondContact O-N 3.17Å; L813-I843 HydrophobicContact CD2-CD1 4.11Å; L813-L847 HydrophobicContact CD1-CD2 3.8Å; L813-L847 HydrophobicContact CD2-CD2 4.24Å; L813-L847 HydrophobicContact CG-CD2 4.37Å
814	A	98.9	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.4	168.7	0	0	0	0	0	111.5	C774 L775 P784 T800 S802	C774-A814 CarbonylContact C-O 3.59Å; C774-A814 WeakPolarHBondContact CA-O 3.34Å; L775-A814 HydrophobicContact CB-CB 4.43Å; L775-A814 PolarHBondContact N-O 3.48Å; L775-A814 PolarHBondContact O-N 3.07Å; P784-A814 HydrophobicContact CB-CB 4.29Å; P784-A814 HydrophobicContact CG-CB 3.93Å; T800-A814 HydrophobicContact CG2-CB 3.88Å; S802-A814 CarbonylContact O-C 3.38Å; S802-A814 VanDerWaalsContact O-CA 3.26Å; S802-A814 WeakPolarHBondContact O-CA 3.47Å
815	F	98.9	Very high	98.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	147.6	158.9	-88.4	-58.6	0	0	0	109.7	L720 A723 F724 E730 L772 V773 C774 T800 T801 S802	L720-F815 HydrophobicContact CD2-CD2 3.36Å; L720-F815 HydrophobicContact CD2-CE2 3.7Å; L720-F815 HydrophobicContact CD2-CG 4.38Å; A723-F815 VanDerWaalsContact CA-CZ 3.48Å; A723-F815 HydrophobicContact CB-CE1 4.34Å; A723-F815 HydrophobicContact CB-CZ 3.77Å; F724-F815 WeakPolarHBondContact O-CE2 3.35Å; E730-F815 HydrophobicContact CG-CB 3.93Å; E730-F815 HydrophobicContact CG-CD1 4.49Å; E730-F815 HydrophobicContact CG-CD2 3.69Å; E730-F815 HydrophobicContact CG-CE2 4.27Å; E730-F815 HydrophobicContact CG-CG 3.82Å; L772-F815 HydrophobicContact CD1-CB 4.24Å; L772-F815 HydrophobicContact CD1-CD1 4.47Å; L772-F815 HydrophobicContact CD2-CD1 3.92Å; L772-F815 HydrophobicContact CD2-CE1 4.17Å; L772-F815 HydrophobicContact CD2-CG 4.43Å; L772-F815 HydrophobicContact CG-CD1 4.01Å; V773-F815 WeakPolarHBondContact O-CA 3.33Å; V773-F815 WeakPolarHBondContact O-CD1 3.49Å; C774-F815 HydrophobicContact CB-CD1 4.29Å; C774-F815 HydrophobicContact CB-CE1 4.19Å; T800-F815 CarbonylContact C-O 3.57Å; T800-F815 WeakPolarHBondContact CA-O 3.26Å; T800-F815 WeakPolarHBondContact CB-O 3.25Å; T801-F815 PolarHBondContact N-O 3.29Å; T801-F815 WeakPolarHBondContact OG1-CB 3.47Å; S802-F815 PolarHBondContact O-N 2.89Å
816	A	98.9	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	138.7	-173	0	0	0	0	0	113.1	L772 V773 L775 I790 N799 V818	L772-A816 CarbonylContact C-O 3.57Å; L772-A816 VanDerWaalsContact CA-O 3.29Å; L772-A816 WeakPolarHBondContact CA-O 3.32Å; V773-A816 HydrophobicContact CG2-CB 4.07Å; V773-A816 PolarHBondContact N-O 3.01Å; V773-A816 PolarHBondContact O-N 3.33Å; L775-A816 HydrophobicContact CD1-CB 3.67Å; L775-A816 HydrophobicContact CG-CB 4.12Å; I790-A816 HydrophobicContact CD1-CB 3.22Å; N799-A816 CarbonylContact O-C 3.14Å; N799-A816 VanDerWaalsContact O-CA 3.32Å; N799-A816 WeakPolarHBondContact O-CA 3.49Å; A816-V818 HydrophobicContact CB-CG1 4.49Å
817	Y	98.9	Very high	98.7	Very high	9 Å²	9	46 Å²	46	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.1	162.6	-82.6	-75.2	0	0	0	109.8	E730 T735 E739 A740 R770 L772 G798 N799 T801	E730-Y817 WeakPolarHBondContact O-CE2 3.16Å; E730-Y817 PolarHBondContact O-OH 2.81Å; T735-Y817 HydrophobicContact CG2-CE2 3.78Å; T735-Y817 WeakPolarHBondContact CG2-OH 3.46Å; E739-Y817 HydrophobicContact CB-CE1 4.18Å; E739-Y817 HydrophobicContact CG-CE1 3.88Å; A740-Y817 WeakPolarHBondContact CA-OH 3.38Å; A740-Y817 WeakPolarHBondContact CB-OH 3.31Å; R770-Y817 HydrophobicContact CG-CD1 4.02Å; L772-Y817 HydrophobicContact CB-CD1 4.35Å; L772-Y817 HydrophobicContact CB-CE1 3.95Å; L772-Y817 HydrophobicContact CD1-CD2 3.98Å; L772-Y817 HydrophobicContact CD1-CE1 4.44Å; L772-Y817 HydrophobicContact CD1-CE2 3.8Å; L772-Y817 HydrophobicContact CD1-CG 4.35Å; G798-Y817 VanDerWaalsContact CA-O 3.31Å; G798-Y817 WeakPolarHBondContact CA-O 3.45Å; N799-Y817 PolarHBondContact N-O 2.91Å; N799-Y817 PolarHBondContact O-N 3.47Å; T801-Y817 HydrophobicContact CG2-CD2 3.68Å; T801-Y817 HydrophobicContact CG2-CE2 3.93Å
818	V	98.9	Very high	98.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159.3	174.4	-61.7	0	0	0	0	110.4	R770 R771 V773 I790 A816	R770-V818 CarbonylContact C-O 3.58Å; R770-V818 WeakPolarHBondContact CA-O 3.37Å; R770-V818 VanDerWaalsContact CB-O 3.3Å; R770-V818 WeakPolarHBondContact CB-O 3.13Å; R771-V818 PolarHBondContact N-O 3.47Å; R771-V818 PolarHBondContact O-N 3.48Å; R771-V818 VanDerWaalsContact O-N 3.1Å; V773-V818 HydrophobicContact CB-CG2 4.41Å; V773-V818 HydrophobicContact CG1-CG2 3.81Å; V773-V818 HydrophobicContact CG2-CG1 4.17Å; V773-V818 HydrophobicContact CG2-CG2 3.67Å; I790-V818 HydrophobicContact CD1-CG1 4.3Å; I790-V818 HydrophobicContact CG2-CG1 4.45Å; A816-V818 HydrophobicContact CB-CG1 4.49Å
819	P	98.9	Very high	98.7	Very high	25 Å²	25	48.8 Å²	48.8	16%	0.162	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	148.1	171.5	-23	35.6	0	0	0	110.9	V797 E821 L822 S823	V797-P819 HydrophobicContact CB-CG 4.15Å; V797-P819 VanDerWaalsContact O-CD 3.3Å; V797-P819 WeakPolarHBondContact O-CD 3.48Å; P819-E821 HydrophobicContact CB-CG 4.09Å; P819-E821 WeakPolarHBondContact CB-OE2 3.37Å; P819-E821 PolarHBondContact O-N 3.4Å; P819-L822 HydrophobicContact CG-CD1 4.32Å; P819-L822 CarbonylContact O-C 3.55Å; P819-L822 WeakPolarHBondContact O-CA 3.49Å; P819-L822 PolarHBondContact O-N 3.09Å; P819-S823 PolarHBondContact O-N 3.31Å
820	V	98.6	Very high	98.8	Very high	52 Å²	52	49.5 Å²	49.5	32%	0.315	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-59.9	-34.8	-175.3	-72.4	0	0	0	0	112.7	L768 K769 R771 L822 S823	L768-V820 HydrophobicContact CB-CG1 3.96Å; L768-V820 WeakPolarHBondContact O-CG1 3.35Å; K769-V820 PolarHBondContact O-N 3.02Å; R771-V820 HydrophobicContact CB-CG1 4.44Å; V820-L822 PolarHBondContact O-N 3.25Å; V820-S823 WeakPolarHBondContact O-CB 3.25Å; V820-S823 PolarHBondContact O-N 3.15Å; V820-S823 VanDerWaalsContact O-N 3.12Å; V820-S823 PolarHBondContact O-OG 2.68Å
821	E	98.4	Very high	98.8	Very high	131 Å²	131	42.4 Å²	42.4	61%	0.612	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-65.9	-16.6	175.2	61.8	-90.9	-146.7	0	0	113.9	P819	P819-E821 HydrophobicContact CB-CG 4.09Å; P819-E821 WeakPolarHBondContact CB-OE2 3.37Å; P819-E821 PolarHBondContact O-N 3.4Å
822	L	98.8	Very high	98.8	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.084	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-111.1	15.8	175.1	-58.7	-179.8	0	0	0	112	Y792 V797 P819 V820 Q827	Y792-L822 HydrophobicContact CD1-CD1 3.71Å; Y792-L822 HydrophobicContact CD1-CD2 3.82Å; Y792-L822 HydrophobicContact CD1-CG 4.45Å; Y792-L822 HydrophobicContact CE1-CD1 4.38Å; Y792-L822 HydrophobicContact CE1-CD2 3.63Å; Y792-L822 HydrophobicContact CE2-CD2 4.41Å; Y792-L822 HydrophobicContact CG-CD1 3.9Å; Y792-L822 HydrophobicContact CG-CD2 4.28Å; V797-L822 HydrophobicContact CB-CD1 4.13Å; V797-L822 HydrophobicContact CG1-CD1 4.05Å; V797-L822 HydrophobicContact CG2-CD1 3.99Å; P819-L822 HydrophobicContact CG-CD1 4.32Å; P819-L822 CarbonylContact O-C 3.55Å; P819-L822 WeakPolarHBondContact O-CA 3.49Å; P819-L822 PolarHBondContact O-N 3.09Å; V820-L822 PolarHBondContact O-N 3.25Å; L822-Q827 HydrophobicContact CB-CG 4.32Å; L822-Q827 WeakPolarHBondContact O-CG 3.4Å
823	S	98.5	Very high	98.8	Very high	24 Å²	24	39.4 Å²	39.4	17%	0.168	21%	0.211	C	C	.	.			trans	-100.6	3.4	-173.7	74.5	0	0	0	0	114.8	P819 V820	P819-S823 PolarHBondContact O-N 3.31Å; V820-S823 WeakPolarHBondContact O-CB 3.25Å; V820-S823 PolarHBondContact O-N 3.15Å; V820-S823 VanDerWaalsContact O-N 3.12Å; V820-S823 PolarHBondContact O-OG 2.68Å
824	E	98.3	Very high	98.8	Very high	141 Å²	141	40.3 Å²	40.3	66%	0.659	22%	0.216	S	C	*	.	S	Bend	trans	-73.2	145.8	-178.8	-61.9	-168.6	172.1	0	0	112.5	G826 Q827 V842	E824-G826 PolarHBondContact O-N 3.05Å; E824-Q827 WeakPolarHBondContact O-CB 3.43Å; E824-Q827 PolarHBondContact O-N 3.43Å; E824-Q827 VanDerWaalsContact O-N 3.08Å; E824-V842 WeakPolarHBondContact O-CB 3.46Å; E824-V842 WeakPolarHBondContact O-CG1 3.18Å
825	V	98.7	Very high	98.7	Very high	87 Å²	87	42.6 Å²	42.6	53%	0.527	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	131.6	175.4	177	0	0	0	0	109.8	Q844	V825-Q844 HydrophobicContact CG1-CB 4.27Å; V825-Q844 HydrophobicContact CG2-CB 4.28Å
826	G	98.5	Very high	98.7	Very high	46 Å²	46	47.4 Å²	47.4	47%	0.474	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-10.1	-174	0	0	0	0	0	114.2	E824 Q828 V842	E824-G826 PolarHBondContact O-N 3.05Å; G826-Q828 PolarHBondContact O-N 3.45Å; G826-V842 PolarHBondContact N-O 3.34Å
827	Q	98.8	Very high	98.7	Very high	42 Å²	42	50.2 Å²	50.2	20%	0.196	28%	0.276	C	S	.	.			trans	-60.2	133.9	174.5	179.3	60.9	46.8	0	0	110.9	L822 E824 V829 V841 V842	L822-Q827 HydrophobicContact CB-CG 4.32Å; L822-Q827 WeakPolarHBondContact O-CG 3.4Å; E824-Q827 WeakPolarHBondContact O-CB 3.43Å; E824-Q827 PolarHBondContact O-N 3.43Å; E824-Q827 VanDerWaalsContact O-N 3.08Å; Q827-V829 HydrophobicContact CG-CG1 4.5Å; Q827-V841 WeakPolarHBondContact O-CA 3.38Å; Q827-V842 HydrophobicContact CB-CB 4.31Å; Q827-V842 HydrophobicContact CB-CG2 3.99Å; Q827-V842 PolarHBondContact O-N 2.8Å
828	Q	98.8	Very high	98.7	Very high	139 Å²	139	50.5 Å²	50.5	65%	0.65	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.7	174.8	-65.3	-174.9	19.2	0	0	111.2	Y792 G826 A840	Y792-Q828 WeakPolarHBondContact CD2-O 3.16Å; Y792-Q828 WeakPolarHBondContact CE2-O 3.47Å; G826-Q828 PolarHBondContact O-N 3.45Å; Q828-A840 WeakPolarHBondContact CA-O 3.48Å
829	V	98.9	Very high	98.7	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	175.4	172.4	-62.9	0	0	0	0	108.6	L775 I790 Y792 Q827 A840	L775-V829 HydrophobicContact CD1-CG2 4.06Å; L775-V829 HydrophobicContact CD2-CG2 3.89Å; I790-V829 HydrophobicContact CG2-CB 3.76Å; I790-V829 HydrophobicContact CG2-CG1 4.24Å; I790-V829 HydrophobicContact CG2-CG2 3.79Å; Y792-V829 HydrophobicContact CD2-CG1 4.46Å; Q827-V829 HydrophobicContact CG-CG1 4.5Å; V829-A840 HydrophobicContact CG2-CB 4.1Å; V829-A840 PolarHBondContact N-O 3.02Å; V829-A840 PolarHBondContact O-N 3.1Å; V829-A840 VanDerWaalsContact O-O 3.09Å
830	E	98.9	Very high	98.7	Very high	81 Å²	81	53.8 Å²	53.8	38%	0.379	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.4	175.2	-68.3	175.3	172.4	0	0	109.8	I790 W791 N837 Y838	I790-E830 CarbonylContact C-O 3.51Å; I790-E830 WeakPolarHBondContact CA-O 3.07Å; W791-E830 HydrophobicContact CB-CB 4.1Å; W791-E830 PolarHBondContact N-O 3.07Å; W791-E830 PolarHBondContact O-N 3.38Å; E830-N837 HydrophobicContact CB-CB 4.03Å; E830-N837 HydrophobicContact CG-CB 4.43Å; E830-N837 PolarHBondContact OE2-ND2 3.23Å; E830-Y838 WeakPolarHBondContact CA-O 3.33Å
831	V	98.9	Very high	98.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.9	174.6	-176.8	0	0	0	0	108.6	L775 L777 E788 I790 T800 L833 Y838 A840	L775-V831 HydrophobicContact CD1-CG2 4.03Å; L777-V831 HydrophobicContact CD1-CB 4.41Å; L777-V831 HydrophobicContact CD2-CG2 4.34Å; E788-V831 HydrophobicContact CB-CG1 4.19Å; I790-V831 HydrophobicContact CG1-CG2 4.43Å; T800-V831 HydrophobicContact CG2-CG1 3.98Å; T800-V831 HydrophobicContact CG2-CG2 4.49Å; V831-L833 HydrophobicContact CG1-CD2 3.95Å; V831-L833 HydrophobicContact CG1-CG 4.14Å; V831-L833 PolarHBondContact O-N 3.29Å; V831-Y838 PolarHBondContact N-O 3.13Å; V831-Y838 PolarHBondContact O-N 2.93Å; V831-A840 HydrophobicContact CG2-CB 3.86Å
832	E	98.9	Very high	98.8	Very high	23 Å²	23	47.6 Å²	47.6	11%	0.107	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.7	178.9	-175.1	-169.4	154.1	0	0	110.5	T152 S789 W791 K836 N837	T152-E832 VanDerWaalsContact CB-O 3.3Å; T152-E832 WeakPolarHBondContact CB-O 3.27Å; T152-E832 PolarHBondContact OG1-O 3.21Å; S789-E832 PolarHBondContact O-N 3.48Å; W791-E832 PolarHBondContact NE1-OE2 3.05Å; E832-K836 WeakPolarHBondContact CA-O 3.32Å; E832-N837 WeakPolarHBondContact CB-OD1 3.47Å
833	L	98.9	Very high	98.8	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.7	175.4	-57.4	179.1	0	0	0	109.3	L777 T779 V782 P784 E788 V831 G835 K836 Y838	L777-L833 HydrophobicContact CD1-CD1 3.96Å; T779-L833 HydrophobicContact CG2-CD1 4.12Å; V782-L833 HydrophobicContact CG1-CB 4.04Å; V782-L833 HydrophobicContact CG1-CD1 4.12Å; P784-L833 HydrophobicContact CB-CD1 4.47Å; P784-L833 HydrophobicContact CB-CD2 4.02Å; E788-L833 HydrophobicContact CB-CD2 4.09Å; E788-L833 HydrophobicContact CG-CD2 3.65Å; V831-L833 HydrophobicContact CG1-CD2 3.95Å; V831-L833 HydrophobicContact CG1-CG 4.14Å; V831-L833 PolarHBondContact O-N 3.29Å; L833-G835 VanDerWaalsContact C-N 3.25Å; L833-G835 PolarHBondContact O-N 3.03Å; L833-K836 PolarHBondContact N-O 2.76Å; L833-K836 PolarHBondContact O-N 2.93Å; L833-Y838 HydrophobicContact CB-CD2 3.9Å; L833-Y838 HydrophobicContact CB-CE2 3.81Å; L833-Y838 HydrophobicContact CD1-CD2 4.14Å; L833-Y838 HydrophobicContact CD1-CE2 4.47Å; L833-Y838 HydrophobicContact CG-CD2 4.16Å
834	L	98.6	Very high	98.8	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.099	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	46.1	-178	-56.9	-177.6	0	0	0	113.4	F509 R510 V782 K836	F509-L834 HydrophobicContact CB-CD1 3.78Å; F509-L834 HydrophobicContact CB-CD2 3.88Å; F509-L834 HydrophobicContact CB-CG 4.47Å; F509-L834 HydrophobicContact CD1-CD2 4.35Å; F509-L834 HydrophobicContact CG-CD2 4.33Å; R510-L834 HydrophobicContact CG-CD1 3.84Å; V782-L834 HydrophobicContact CG2-CD1 4.35Å; L834-K836 VanDerWaalsContact C-N 3.28Å; L834-K836 PolarHBondContact O-N 2.87Å
835	G	98.2	Very high	98.6	Very high	49 Å²	49	48.9 Å²	48.9	51%	0.505	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	10.1	177.5	0	0	0	0	0	115.1	L833	L833-G835 VanDerWaalsContact C-N 3.25Å; L833-G835 PolarHBondContact O-N 3.03Å
836	K	98.8	Very high	98.6	Very high	100 Å²	100	46.9 Å²	46.9	44%	0.435	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.8	173.8	176.4	174.7	163.9	-169.8	0	110.1	D780 E832 L833 L834 Y838	D780-K836 IonicContact OD2-NZ 2.91Å; D780-K836 PolarHBondContact OD2-NZ 3.32Å; E832-K836 WeakPolarHBondContact CA-O 3.32Å; L833-K836 PolarHBondContact N-O 2.76Å; L833-K836 PolarHBondContact O-N 2.93Å; L834-K836 VanDerWaalsContact C-N 3.28Å; L834-K836 PolarHBondContact O-N 2.87Å; K836-Y838 HydrophobicContact CB-CE2 3.83Å; K836-Y838 HydrophobicContact CD-CE1 4.33Å; K836-Y838 HydrophobicContact CD-CE2 3.89Å; K836-Y838 WeakPolarHBondContact CD-OH 3.47Å; K836-Y838 HydrophobicContact CG-CD2 4.24Å; K836-Y838 HydrophobicContact CG-CE2 3.69Å; K836-Y838 VanDerWaalsContact O-CD2 3.26Å; K836-Y838 WeakPolarHBondContact O-CD2 3.47Å; K836-Y838 WeakPolarHBondContact O-CE2 3.33Å
837	N	98.9	Very high	98.6	Very high	60 Å²	60	47.4 Å²	47.4	32%	0.321	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.4	175.1	-80.8	11.1	0	0	0	110.5	E830 E832	E830-N837 HydrophobicContact CB-CB 4.03Å; E830-N837 HydrophobicContact CG-CB 4.43Å; E830-N837 PolarHBondContact OE2-ND2 3.23Å; E832-N837 WeakPolarHBondContact CB-OD1 3.47Å
838	Y	98.9	Very high	98.6	Very high	15 Å²	15	46.8 Å²	46.8	6%	0.059	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.7	175.6	-68.8	-99.1	0	0	0	109.8	L777 A778 T779 D780 V782 E830 V831 L833 K836 A840	L777-Y838 HydrophobicContact CD1-CG 4.48Å; A778-Y838 WeakPolarHBondContact O-CD1 3.33Å; T779-Y838 HydrophobicContact CG2-CD1 3.91Å; T779-Y838 HydrophobicContact CG2-CE1 4.18Å; T779-Y838 HydrophobicContact CG2-CG 4.28Å; D780-Y838 VanDerWaalsContact CG-OH 3.28Å; D780-Y838 WeakPolarHBondContact OD1-CE1 3.37Å; D780-Y838 PolarHBondContact OD1-OH 2.83Å; D780-Y838 PolarHBondContact OD2-OH 3.46Å; V782-Y838 HydrophobicContact CG1-CE2 4.34Å; E830-Y838 WeakPolarHBondContact CA-O 3.33Å; V831-Y838 PolarHBondContact N-O 3.13Å; V831-Y838 PolarHBondContact O-N 2.93Å; L833-Y838 HydrophobicContact CB-CD2 3.9Å; L833-Y838 HydrophobicContact CB-CE2 3.81Å; L833-Y838 HydrophobicContact CD1-CD2 4.14Å; L833-Y838 HydrophobicContact CD1-CE2 4.47Å; L833-Y838 HydrophobicContact CG-CD2 4.16Å; K836-Y838 HydrophobicContact CB-CE2 3.83Å; K836-Y838 HydrophobicContact CD-CE1 4.33Å; K836-Y838 HydrophobicContact CD-CE2 3.89Å; K836-Y838 WeakPolarHBondContact CD-OH 3.47Å; K836-Y838 HydrophobicContact CG-CD2 4.24Å; K836-Y838 HydrophobicContact CG-CE2 3.69Å; K836-Y838 VanDerWaalsContact O-CD2 3.26Å; K836-Y838 WeakPolarHBondContact O-CD2 3.47Å; K836-Y838 WeakPolarHBondContact O-CE2 3.33Å; Y838-A840 PolarHBondContact O-N 2.84Å
839	P	98.9	Very high	98.5	Very high	91 Å²	91	43.5 Å²	43.5	59%	0.591	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	129.7	174.7	-24.1	34.2	0	0	0	111.5	L777	L777-P839 VanDerWaalsContact CB-O 3.31Å; L777-P839 WeakPolarHBondContact CB-O 3.24Å
840	A	98.9	Very high	98.5	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.033	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.3	178.6	0	0	0	0	0	110.4	L775 T776 L777 Q828 V829 V831 Y838	L775-A840 HydrophobicContact CB-CB 4.26Å; L775-A840 HydrophobicContact CD1-CB 4.33Å; T776-A840 WeakPolarHBondContact O-CA 3.48Å; L777-A840 HydrophobicContact CB-CB 3.87Å; L777-A840 HydrophobicContact CD2-CB 4.14Å; Q828-A840 WeakPolarHBondContact CA-O 3.48Å; V829-A840 HydrophobicContact CG2-CB 4.1Å; V829-A840 PolarHBondContact N-O 3.02Å; V829-A840 PolarHBondContact O-N 3.1Å; V829-A840 VanDerWaalsContact O-O 3.09Å; V831-A840 HydrophobicContact CG2-CB 3.86Å; Y838-A840 PolarHBondContact O-N 2.84Å
841	V	98.9	Very high	98.4	Very high	49 Å²	49	41 Å²	41	30%	0.297	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.7	178.7	62.6	0	0	0	0	110.6	L775 T776 Q827 I843	L775-V841 VanDerWaalsContact CA-O 3.32Å; L775-V841 WeakPolarHBondContact CA-O 3.46Å; T776-V841 PolarHBondContact N-O 2.98Å; T776-V841 PolarHBondContact O-N 3.37Å; T776-V841 VanDerWaalsContact OG1-CG1 3.25Å; T776-V841 WeakPolarHBondContact OG1-CG1 3.34Å; Q827-V841 WeakPolarHBondContact O-CA 3.38Å; V841-I843 HydrophobicContact CG1-CG2 4.25Å; V841-I843 PolarHBondContact O-N 3.24Å
842	V	98.9	Very high	98.1	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.4	171.5	179	0	0	0	0	109.4	V773 C774 L775 E824 G826 Q827	V773-V842 HydrophobicContact CB-CG1 4Å; V773-V842 HydrophobicContact CB-CG2 4.43Å; V773-V842 HydrophobicContact CG1-CG1 4.26Å; V773-V842 HydrophobicContact CG2-CG2 4.1Å; C774-V842 WeakPolarHBondContact O-CA 3.1Å; L775-V842 HydrophobicContact CD2-CB 4.36Å; L775-V842 HydrophobicContact CD2-CG2 3.62Å; E824-V842 WeakPolarHBondContact O-CB 3.46Å; E824-V842 WeakPolarHBondContact O-CG1 3.18Å; G826-V842 PolarHBondContact N-O 3.34Å; Q827-V842 HydrophobicContact CB-CB 4.31Å; Q827-V842 HydrophobicContact CB-CG2 3.99Å; Q827-V842 PolarHBondContact O-N 2.8Å
843	I	98.8	Very high	97.8	Very high	27 Å²	27	43.1 Å²	43.1	14%	0.138	24%	0.244	C	C	.	.			trans	-105.7	157	179.7	63.8	157.4	0	0	0	112.2	C774 T776 L813 V841 Q845 L847	C774-I843 HydrophobicContact CB-CG1 4.06Å; C774-I843 WeakPolarHBondContact O-CG1 3.42Å; C774-I843 PolarHBondContact O-N 2.87Å; T776-I843 HydrophobicContact CG2-CD1 3.87Å; T776-I843 HydrophobicContact CG2-CG1 4.35Å; T776-I843 HydrophobicContact CG2-CG2 3.76Å; T776-I843 WeakPolarHBondContact OG1-CG2 3.39Å; L813-I843 HydrophobicContact CD2-CD1 4.11Å; V841-I843 HydrophobicContact CG1-CG2 4.25Å; V841-I843 PolarHBondContact O-N 3.24Å; I843-Q845 PolarHBondContact O-N 3.49Å; I843-L847 HydrophobicContact CD1-CB 4.11Å; I843-L847 HydrophobicContact CD1-CD1 3.97Å
844	Q	98.4	Very high	97.6	Very high	138 Å²	138	46.3 Å²	46.3	65%	0.645	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-66.3	126.2	166.9	-179.3	59.6	61.3	0	0	109.4	V825	V825-Q844 HydrophobicContact CG1-CB 4.27Å; V825-Q844 HydrophobicContact CG2-CB 4.28Å
845	Q	95.6	Very high	97	Very high	42 Å²	42	47 Å²	47	20%	0.196	26%	0.259	C	S	.	.	S	Bend	trans	-88.8	151.1	175	-64.6	173.2	21.9	0	0	111.6	A723 V773 C774 I843	A723-Q845 HydrophobicContact CB-CB 3.92Å; A723-Q845 HydrophobicContact CB-CG 4.05Å; V773-Q845 VanDerWaalsContact C-NE2 3.3Å; C774-Q845 HydrophobicContact CB-CG 3.43Å; C774-Q845 VanDerWaalsContact CB-CG 3.43Å; I843-Q845 PolarHBondContact O-N 3.49Å
846	P	98.3	Very high	96.5	Very high	46 Å²	46	51.5 Å²	51.5	30%	0.299	26%	0.261	S	S	.	.	P	Polyproline II helix	cis	-78.4	160.6	-12.6	35.8	-36.6	0	0	0	111.6	K722 A723 L849	K722-P846 WeakPolarHBondContact O-CB 3.42Å; A723-P846 HydrophobicContact CB-CB 3.94Å; P846-L849 HydrophobicContact CG-CD2 3.94Å
847	L	97.9	Very high	95.8	Very high	56 Å²	56	51.1 Å²	51.1	29%	0.293	26%	0.263	S	S	.	.	S	Bend	trans	-64.9	-44.1	173.4	-179.1	68.8	0	0	0	110.6	E721 I809 L813 I843	E721-L847 HydrophobicContact CG-CD2 4.18Å; E721-L847 PolarHBondContact O-N 3.25Å; I809-L847 HydrophobicContact CD1-CD1 4.27Å; I809-L847 HydrophobicContact CD1-CD2 3.8Å; I809-L847 HydrophobicContact CG1-CD2 4.05Å; I809-L847 HydrophobicContact CG2-CD1 4.3Å; I809-L847 HydrophobicContact CG2-CD2 4.09Å; L813-L847 HydrophobicContact CD1-CD2 3.8Å; L813-L847 HydrophobicContact CD2-CD2 4.24Å; L813-L847 HydrophobicContact CG-CD2 4.37Å; I843-L847 HydrophobicContact CD1-CB 4.11Å; I843-L847 HydrophobicContact CD1-CD1 3.97Å
848	V	98.4	Very high	95.2	Very high	29 Å²	29	54.9 Å²	54.9	18%	0.176	28%	0.279	C	S	.	.	S	Bend	trans	-119.5	126.4	176	179.9	0	0	0	0	109.1	M526 E721 K722	M526-V848 HydrophobicContact CE-CG1 4.23Å; E721-V848 HydrophobicContact CB-CB 4.18Å; E721-V848 HydrophobicContact CB-CG2 4.04Å; E721-V848 PolarHBondContact O-N 2.93Å; E721-V848 WeakPolarHBondContact OE2-CG2 3.45Å; K722-V848 HydrophobicContact CD-CB 4.21Å; K722-V848 HydrophobicContact CD-CG1 4.26Å; K722-V848 WeakPolarHBondContact CD-O 3.44Å
849	L	98.1	Very high	94.3	Very high	70 Å²	70	59 Å²	59	37%	0.366	30%	0.297	S	S	.	.			trans	-65.8	143.7	175.6	-64.8	177.8	0	0	0	110.8	P846 T853 R854 L857	P846-L849 HydrophobicContact CG-CD2 3.94Å; L849-T853 HydrophobicContact CD1-CG2 4.49Å; L849-T853 HydrophobicContact CD2-CG2 4.17Å; L849-R854 HydrophobicContact CB-CG 3.8Å; L849-R854 PolarHBondContact O-NH1 3.44Å; L849-L857 HydrophobicContact CD1-CD1 3.84Å
850	T	97.7	Very high	93.1	Very high	20 Å²	20	60.5 Å²	60.5	12%	0.123	29%	0.294	C	S	.	.			trans	-70	154.4	174.2	62.9	0	0	0	0	112.1	G678 K722 F724 T853 R854	G678-T850 CarbonylContact O-C 3.53Å; G678-T850 WeakPolarHBondContact O-CA 3.39Å; K722-T850 HydrophobicContact CB-CG2 4.28Å; K722-T850 HydrophobicContact CD-CG2 4.06Å; K722-T850 HydrophobicContact CG-CG2 4.36Å; F724-T850 HydrophobicContact CE1-CG2 3.73Å; F724-T850 HydrophobicContact CZ-CG2 3.49Å; F724-T850 VanDerWaalsContact CZ-CG2 3.49Å; T850-T853 WeakPolarHBondContact O-CB 3.35Å; T850-T853 PolarHBondContact O-N 3.05Å; T850-T853 PolarHBondContact OG1-OG1 3.23Å; T850-R854 WeakPolarHBondContact O-CG 3.26Å; T850-R854 PolarHBondContact O-N 2.9Å
851	E	97.6	Very high	91.6	Very high	15 Å²	15	62.1 Å²	62.1	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-54	-46.2	178.3	-173.4	-94.2	-167.3	0	0	113.5	R673 G678 L680 T853 R854 N855	R673-E851 IonicContact NH2-OE1 2.91Å; R673-E851 IonicContact NH2-OE2 2.76Å; R673-E851 PolarHBondContact NH2-OE2 3.14Å; G678-E851 PolarHBondContact O-N 2.81Å; L680-E851 HydrophobicContact CB-CG 3.97Å; E851-T853 PolarHBondContact O-N 2.98Å; E851-R854 PolarHBondContact O-N 3.39Å; E851-R854 VanDerWaalsContact O-N 3.13Å; E851-N855 PolarHBondContact O-N 3.31Å; E851-N855 PolarHBondContact OE1-ND2 3.44Å; E851-N855 PolarHBondContact OE2-ND2 3.18Å
852	P	91.9	Very high	89.6	Confident	29 Å²	29	61.8 Å²	61.8	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-32.9	177.6	-25.5	35.2	0	0	0	112.9	F656 R856	F656-P852 HydrophobicContact CB-CB 4.32Å; F656-P852 HydrophobicContact CB-CG 4.21Å; F656-P852 HydrophobicContact CD1-CB 3.94Å; F656-P852 HydrophobicContact CD1-CG 3.93Å; F656-P852 HydrophobicContact CD2-CB 4.38Å; F656-P852 HydrophobicContact CD2-CG 3.54Å; F656-P852 HydrophobicContact CE1-CB 4.35Å; F656-P852 HydrophobicContact CE1-CG 4.16Å; F656-P852 HydrophobicContact CE2-CG 3.8Å; F656-P852 HydrophobicContact CG-CB 3.96Å; F656-P852 HydrophobicContact CG-CG 3.61Å; F656-P852 HydrophobicContact CZ-CG 4.1Å; P852-R856 WeakPolarHBondContact O-CB 3.35Å; P852-R856 PolarHBondContact O-N 3.35Å; P852-R856 VanDerWaalsContact O-N 3.15Å
853	T	93.4	Very high	87.6	Confident	38 Å²	38	69.1 Å²	69.1	23%	0.233	35%	0.349	C	S	.	.	H	α-helix	trans	-70.8	-45.8	176.6	-56.7	0	0	0	0	111	L849 T850 E851 R856 L857	L849-T853 HydrophobicContact CD1-CG2 4.49Å; L849-T853 HydrophobicContact CD2-CG2 4.17Å; T850-T853 WeakPolarHBondContact O-CB 3.35Å; T850-T853 PolarHBondContact O-N 3.05Å; T850-T853 PolarHBondContact OG1-OG1 3.23Å; E851-T853 PolarHBondContact O-N 2.98Å; T853-R856 PolarHBondContact O-N 3.24Å; T853-L857 HydrophobicContact CG2-CD1 4.27Å; T853-L857 WeakPolarHBondContact O-CG 3.49Å; T853-L857 PolarHBondContact O-N 2.71Å
854	R	94	Very high	85.4	Confident	72 Å²	72	74.8 Å²	74.8	27%	0.272	38%	0.38	S	S	.	.	H	α-helix	trans	-60.4	-46.8	177.6	-63.6	-176.3	-51.1	-120.2	11.5	111.3	E679 L849 T850 E851 R856 L857 Q858	E679-R854 IonicContact OE1-CZ 3.24Å; E679-R854 IonicContact OE1-NH1 3.61Å; E679-R854 PolarHBondContact OE1-NH1 3.2Å; E679-R854 IonicContact OE1-NH2 2.79Å; E679-R854 IonicContact OE2-CZ 3.34Å; E679-R854 IonicContact OE2-NH1 3.44Å; E679-R854 IonicContact OE2-NH2 3.68Å; E679-R854 PolarHBondContact OE2-NH2 3Å; L849-R854 HydrophobicContact CB-CG 3.8Å; L849-R854 PolarHBondContact O-NH1 3.44Å; T850-R854 WeakPolarHBondContact O-CG 3.26Å; T850-R854 PolarHBondContact O-N 2.9Å; E851-R854 PolarHBondContact O-N 3.39Å; E851-R854 VanDerWaalsContact O-N 3.13Å; R854-R856 PolarHBondContact O-N 3.05Å; R854-L857 PolarHBondContact O-N 3.22Å; R854-Q858 WeakPolarHBondContact O-CG 3.34Å; R854-Q858 PolarHBondContact O-N 2.99Å
855	N	86.9	Confident	82.9	Confident	34 Å²	34	77.3 Å²	77.3	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-60.9	-43.1	177.6	-71.5	0.3	0	0	0	112.1	E851 L857 Q858 K859	E851-N855 PolarHBondContact O-N 3.31Å; E851-N855 PolarHBondContact OE1-ND2 3.44Å; E851-N855 PolarHBondContact OE2-ND2 3.18Å; N855-L857 VanDerWaalsContact C-N 3.33Å; N855-L857 PolarHBondContact O-N 3.3Å; N855-Q858 PolarHBondContact O-N 3.23Å; N855-K859 WeakPolarHBondContact O-CG 3.31Å; N855-K859 PolarHBondContact O-N 3.15Å
856	R	86.9	Confident	80.1	Confident	143 Å²	143	83.3 Å²	83.3	54%	0.54	43%	0.428	S	S	.	.	H	α-helix	trans	-62.9	-39.7	177.3	-176.4	176.9	61.9	138	0.9	112.1	P852 T853 R854 K860	P852-R856 WeakPolarHBondContact O-CB 3.35Å; P852-R856 PolarHBondContact O-N 3.35Å; P852-R856 VanDerWaalsContact O-N 3.15Å; T853-R856 PolarHBondContact O-N 3.24Å; R854-R856 PolarHBondContact O-N 3.05Å; R856-K860 WeakPolarHBondContact O-CG 3.12Å; R856-K860 PolarHBondContact O-N 3.13Å; R856-K860 VanDerWaalsContact O-N 3.1Å
857	L	85.3	Confident	79.2	Confident	91 Å²	91	85.2 Å²	85.2	48%	0.476	44%	0.435	S	S	.	.	H	α-helix	trans	-66.3	-41.9	176.4	-70.4	173.2	0	0	0	111.6	L849 T853 R854 N855 K860 G861	L849-L857 HydrophobicContact CD1-CD1 3.84Å; T853-L857 HydrophobicContact CG2-CD1 4.27Å; T853-L857 WeakPolarHBondContact O-CG 3.49Å; T853-L857 PolarHBondContact O-N 2.71Å; R854-L857 PolarHBondContact O-N 3.22Å; N855-L857 VanDerWaalsContact C-N 3.33Å; N855-L857 PolarHBondContact O-N 3.3Å; L857-K860 PolarHBondContact O-N 3.07Å; L857-G861 PolarHBondContact O-N 3.3Å
858	Q	84.7	Confident	78.2	Confident	140 Å²	140	86.7 Å²	86.7	65%	0.654	44%	0.442	S	S	*	.	H	α-helix	trans	-63.1	-45.8	174.9	-70.8	176.6	-4.4	0	0	112.2	R854 N855 K860 G861 G862	R854-Q858 WeakPolarHBondContact O-CG 3.34Å; R854-Q858 PolarHBondContact O-N 2.99Å; N855-Q858 PolarHBondContact O-N 3.23Å; Q858-K860 VanDerWaalsContact C-N 3.3Å; Q858-K860 PolarHBondContact O-N 3.27Å; Q858-G861 PolarHBondContact O-N 3.14Å; Q858-G862 PolarHBondContact O-N 2.9Å
859	K	81.1	Confident	77.1	Confident	101 Å²	101	89.9 Å²	89.9	44%	0.439	46%	0.457	S	S	.	.	H	α-helix	trans	-61.4	-35.2	176.8	-73.6	-173.5	-176.9	-176.8	0	112.6	D651 D652 N855 K863	D651-K859 WeakPolarHBondContact OD2-CE 3.21Å; D651-K859 IonicContact OD2-NZ 3.66Å; D651-K859 PolarHBondContact OD2-NZ 3.5Å; D652-K859 IonicContact OD1-NZ 3.98Å; D652-K859 PolarHBondContact OD1-NZ 3.29Å; N855-K859 WeakPolarHBondContact O-CG 3.31Å; N855-K859 PolarHBondContact O-N 3.15Å; K859-K863 PolarHBondContact O-N 2.9Å
860	K	74.1	Confident	75.9	Confident	123 Å²	123	91.1 Å²	91.1	54%	0.535	46%	0.462	S	S	.	.	H	α-helix	trans	-71.2	-49.1	174.5	-76.8	-173.7	174.8	-167	0	112.1	R856 L857 Q858 G862 K863 D864	R856-K860 WeakPolarHBondContact O-CG 3.12Å; R856-K860 PolarHBondContact O-N 3.13Å; R856-K860 VanDerWaalsContact O-N 3.1Å; L857-K860 PolarHBondContact O-N 3.07Å; Q858-K860 VanDerWaalsContact C-N 3.3Å; Q858-K860 PolarHBondContact O-N 3.27Å; K860-G862 PolarHBondContact O-N 2.98Å; K860-K863 PolarHBondContact O-N 3.25Å; K860-D864 PolarHBondContact O-N 2.98Å
861	G	66.6	Low	74.5	Confident	37 Å²	37	95.6 Å²	95.6	38%	0.381	48%	0.484	S	S	.	.	H	α-helix	trans	-64.2	-23.1	179.2	0	0	0	0	0	114.3	L857 Q858	L857-G861 PolarHBondContact O-N 3.3Å; Q858-G861 PolarHBondContact O-N 3.14Å
862	G	57.5	Low	73	Confident	42 Å²	42	100.9 Å²	100.9	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-76.1	-30.7	170.8	0	0	0	0	0	114.2	Q858 K860	Q858-G862 PolarHBondContact O-N 2.9Å; K860-G862 PolarHBondContact O-N 2.98Å
863	K	57.4	Low	71.6	Confident	159 Å²	159	106.1 Å²	106.1	69%	0.691	53%	0.534	S	S	*	.	H	α-helix	trans	-78.8	-28.5	177.4	-79.3	-172.1	175.7	-170.8	0	113.6	K859 K860 K865 T866	K859-K863 PolarHBondContact O-N 2.9Å; K860-K863 PolarHBondContact O-N 3.25Å; K863-K865 PolarHBondContact O-N 3.26Å; K863-T866 PolarHBondContact O-OG1 2.69Å
864	D	52.1	Low	70	Confident	146 Å²	146	111.3 Å²	111.3	78%	0.781	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-2.5	175.8	-65.4	-26	0	0	0	112.7	K860	K860-D864 PolarHBondContact O-N 2.98Å
865	K	45	Very low	68	Low	190 Å²	190	114.6 Å²	114.6	83%	0.826	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	3.5	176.7	-72.1	-174.3	176.9	-175.2	0	113.8	K863	K863-K865 PolarHBondContact O-N 3.26Å
866	T	38.1	Very low	66.2	Low	169 Å²	169	121.9 Å²	121.9	100%	1.037	62%	0.618	S	S	*	*			trans	-123.5	0	174.7	50.5	0	0	0	0	108.9	K863	K863-T866 PolarHBondContact O-OG1 2.69Å

Retrieved 866 of 866 residues in 5408.4 ms (Link to these results)

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