A0A3Q0KUG5_SCHMA Loading...

Protein argonaute-1

AlphaFold DB , UniProt , Accession A0A3Q0KUG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,009 aa.

						>A0A3Q0KUG5_SCHMA|A0A3Q0KUG5
MLNMYGTIYNPPTHLFTSSVKELSQSYNAVSGTVNSGLSNITSTNPVSPAHCQSNIVGPIGCGSSGSTVNNGNHSLPPLCGMAPKIPGAPYGISNGPTEVVHNVSNGSAANGSGSSPPVVGGVGDAPPLSVGGAGSSAGPGSNSSGSGGAGGSIGGSGSGHSSASTQHLIQFEPPARPGRGSEGRCISLRANHFEIRMPKGFLHHYDVSITPEKCPRRVNREIIETMVNSMHYQKYFYNQKPVFDGRRNMYTREPLPISKEKVELEVTLPGEGKDRVFRVAIKHVSEVSLFALEEALGGHNRHIPNDAVISLDVIMRHLPSMSYTPVGRSFFQNPDGYENPLGGGREVWFGFHQSVRPSQWRMMLNIDVSATAFYKAQSVIDFMCEVLDISDKNEQRRPLTDSQRVKFTKEIKGLKVEITHCGTMRRKYRVCNVTRRPSQTQSFPLQLDTGATVECTVAKYFQERYNIRLDYPHLPCLQVGQEQKHTYLPLEVCNMVAGQRCIKKLTDMQTSTMIKATARSAPDREKEINNLVKRANFNADPHLQMFGINVNTRMAEIQGRVIPAPKIQYGGRTKAQASPQLGVWDMRGKQFFSGIEIKVWAIACFAPQRIVREESLRLFTLQLQKISNDAGMPILGQPCFCKYATGQDQVEPMFRYLKNTHAGLQLIVVVLPGKTPVYAEVKRVGDIMFGLATQCVQSKNVNKTSPQTLSNLCLKINVKLGGINSIIVPSVRPAVFREPVIFLGADVTHPPAGDKTKPSIAAVVASMDAHPSRYSATVRVQSHRQEIIHDLYPMVRDLLLQFYRATRFKPTRIIYYRDGVGEGQFLNVLNHELRAIREACVKLELGYQPGITFIVVQKRHHTRLFCADKKDQMGKSGNIPAGTTVDQVITHPTEFDFYLCSHAGIQGTSRPSHYHVLWDDNRFSADDIQNLTYQLCHTYVRCTRSVSIPAPAYYAHLVAFRARYHLVEKEIDSGEGSQKSGNSDERTPTAMMRAVTVHPETLRVMYFA
					

Structure Viewer

Loading PAE data...

(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	29.4	Very low	27.6	Very low	248 Å²	248	163.3 Å²	163.3	100%	1.222	85%	0.847	S	S	*	*				0	114.6	0	-71.5	-179	-90.4	0	0	108
2	L	25.6	Very low	27.9	Very low	165 Å²	165	159.5 Å²	159.5	86%	0.864	84%	0.84	S	S	*	*			trans	-129.2	159.7	178.2	-93.2	155.5	0	0	0	107.3
3	N	24.8	Very low	28.2	Very low	150 Å²	150	155.4 Å²	155.4	80%	0.802	83%	0.826	S	S	*	*			trans	63.5	90.8	176.7	-56.9	-10.2	0	0	0	116.3
4	M	27.9	Very low	28.3	Very low	179 Å²	179	155.1 Å²	155.1	88%	0.882	82%	0.816	S	S	*	*				-165.7	168.6	121.4	-101.7	-174.3	-156.5	0	0	109.9
5	Y	31.6	Very low	29	Very low	229 Å²	229	151.9 Å²	151.9	90%	0.898	80%	0.799	S	S	*	*			trans	73.6	83.2	-171.7	-61.3	-70.6	0	0	0	117.1
6	G	23.4	Very low	29.5	Very low	75 Å²	75	143.6 Å²	143.6	77%	0.773	76%	0.755	S	S	*	*			trans	-120.3	126.1	147.6	0	0	0	0	0	109.7
7	T	28.7	Very low	30	Very low	135 Å²	135	139.9 Å²	139.9	83%	0.828	74%	0.739	S	S	*	*			trans	-148	144.8	163.3	-44.3	0	0	0	0	109.2
8	I	25.9	Very low	30.4	Very low	146 Å²	146	135.4 Å²	135.4	75%	0.749	72%	0.721	S	S	*	*			trans	-78.7	127.8	-170.7	-63.9	158.5	0	0	0	110.4
9	Y	26.3	Very low	30.7	Very low	228 Å²	228	129.8 Å²	129.8	89%	0.894	69%	0.694	S	S	*	*			trans	-105.5	102.3	166.3	-110.1	-85	0	0	0	110.4
10	N	27.4	Very low	31.1	Very low	141 Å²	141	125.9 Å²	125.9	75%	0.754	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-89.1	121.5	166.2	-93.6	-29.5	0	0	0	109.3
11	P	32.6	Very low	31.4	Very low	100 Å²	100	127.1 Å²	127.1	65%	0.649	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-77.4	147.8	169.1	32	-33.3	0	0	0	110.9	T13	P11-T13 PolarHBondContact O-N 3.42Å
12	P	31.5	Very low	31.7	Very low	118 Å²	118	120.5 Å²	120.5	77%	0.766	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-70.5	125.3	-173.3	27.1	-34.5	0	0	0	113	H14	P12-H14 PolarHBondContact O-N 3.34Å
13	T	31.2	Very low	32.1	Very low	106 Å²	106	115.1 Å²	115.1	65%	0.65	61%	0.612	S	S	*	*			trans	-96.5	54	-174.8	40.2	0	0	0	0	113.9	P11	P11-T13 PolarHBondContact O-N 3.42Å
14	H	30.5	Very low	32.5	Very low	151 Å²	151	111.2 Å²	111.2	70%	0.699	60%	0.596	S	S	*	*			trans	-111.4	153.2	174.6	-72.5	-100.6	0	0	0	112	P12 F16	P12-H14 PolarHBondContact O-N 3.34Å; H14-F16 PolarHBondContact O-N 2.79Å
15	L	38.5	Very low	32.8	Very low	107 Å²	107	109.2 Å²	109.2	56%	0.56	59%	0.585	S	S	*	*	S	Bend	trans	76.9	-53.5	-173.4	-56.9	173	0	0	0	117.2	T17 S18	L15-T17 PolarHBondContact O-N 2.67Å; L15-S18 WeakPolarHBondContact O-CB 3.3Å; L15-S18 PolarHBondContact O-N 2.63Å; L15-S18 PolarHBondContact O-OG 3.36Å
16	F	36.3	Very low	32.7	Very low	20 Å²	20	101.7 Å²	101.7	9%	0.088	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-22.6	-179.1	-111.8	-95.9	0	0	0	114	H14 V20 Y804 K810 L844 E845	H14-F16 PolarHBondContact O-N 2.79Å; F16-V20 WeakPolarHBondContact O-CG2 3.28Å; F16-Y804 AromaticContact CD1-CD1 3.78Å; F16-Y804 HydrophobicContact CD1-CD1 3.78Å; F16-Y804 HydrophobicContact CD1-CE1 4Å; F16-Y804 HydrophobicContact CD1-CG 4.09Å; F16-Y804 HydrophobicContact CE1-CD1 4.09Å; F16-Y804 HydrophobicContact CE1-CD2 4.4Å; F16-Y804 AromaticContact CE1-CG 3.95Å; F16-Y804 HydrophobicContact CE1-CG 3.95Å; F16-K810 HydrophobicContact CE2-CD 4.2Å; F16-K810 HydrophobicContact CZ-CD 4.39Å; F16-K810 HydrophobicContact CZ-CG 4.23Å; F16-L844 HydrophobicContact CE2-CB 4.39Å; F16-L844 HydrophobicContact CZ-CB 4.34Å; F16-E845 HydrophobicContact CD2-CB 4.03Å; F16-E845 VanDerWaalsContact CD2-OE2 3.29Å; F16-E845 WeakPolarHBondContact CD2-OE2 3.49Å; F16-E845 HydrophobicContact CE2-CB 3.75Å
17	T	38	Very low	33.1	Very low	80 Å²	80	104.6 Å²	104.6	49%	0.491	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-28.1	176.6	42.7	0	0	0	0	113.2	L15 V20 K21	L15-T17 PolarHBondContact O-N 2.67Å; T17-V20 PolarHBondContact O-N 3.29Å; T17-K21 PolarHBondContact O-N 3.08Å
18	S	38.1	Very low	33.1	Very low	59 Å²	59	104.5 Å²	104.5	41%	0.413	55%	0.549	S	S	.	.	H	α-helix	trans	-65	-59.2	-176.7	-47.9	0	0	0	0	111.6	L15 V20 K21 E22	L15-S18 WeakPolarHBondContact O-CB 3.3Å; L15-S18 PolarHBondContact O-N 2.63Å; L15-S18 PolarHBondContact O-OG 3.36Å; S18-V20 PolarHBondContact O-N 3.26Å; S18-V20 VanDerWaalsContact O-N 3.11Å; S18-K21 WeakPolarHBondContact O-CA 3.37Å; S18-K21 WeakPolarHBondContact O-CB 3.39Å; S18-K21 PolarHBondContact O-N 3.01Å; S18-E22 PolarHBondContact O-N 2.66Å
19	S	36.6	Very low	33.2	Very low	29 Å²	29	101.5 Å²	101.5	20%	0.203	55%	0.546	C	S	.	.	H	α-helix	trans	-69.8	-8.5	179.4	-67	0	0	0	0	114.7	E22 L23	S19-E22 VanDerWaalsContact CA-OE2 3.24Å; S19-E22 WeakPolarHBondContact CA-OE2 3.35Å; S19-E22 PolarHBondContact OG-OE2 3.04Å; S19-L23 WeakPolarHBondContact O-CB 3.29Å; S19-L23 PolarHBondContact O-N 3.25Å
20	V	37.5	Very low	33.3	Very low	52 Å²	52	97 Å²	97	32%	0.315	54%	0.542	S	S	.	.	H	α-helix	trans	-80.3	-33.2	167.1	175.7	0	0	0	0	111.4	F16 T17 S18	F16-V20 WeakPolarHBondContact O-CG2 3.28Å; T17-V20 PolarHBondContact O-N 3.29Å; S18-V20 PolarHBondContact O-N 3.26Å; S18-V20 VanDerWaalsContact O-N 3.11Å
21	K	37.7	Very low	33.2	Very low	151 Å²	151	95.5 Å²	95.5	66%	0.657	54%	0.542	S	S	*	.	H	α-helix	trans	-72.3	-44	170.9	-77.5	-172.9	173	-176.3	0	112.3	T17 S18 L23 S24 Q25	T17-K21 PolarHBondContact O-N 3.08Å; S18-K21 WeakPolarHBondContact O-CA 3.37Å; S18-K21 WeakPolarHBondContact O-CB 3.39Å; S18-K21 PolarHBondContact O-N 3.01Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 2.78Å; K21-S24 WeakPolarHBondContact O-CA 3.27Å; K21-S24 WeakPolarHBondContact O-CB 3.29Å; K21-S24 PolarHBondContact O-N 3.36Å; K21-S24 PolarHBondContact O-OG 2.96Å; K21-Q25 PolarHBondContact O-N 3.12Å; K21-Q25 VanDerWaalsContact O-N 3.11Å
22	E	36	Very low	32.8	Very low	109 Å²	109	94.3 Å²	94.3	51%	0.509	55%	0.548	S	S	.	.	H	α-helix	trans	-55.6	-47.4	178.2	-65.4	172.7	139.6	0	0	111.6	S18 S19 S24 Q25 S26	S18-E22 PolarHBondContact O-N 2.66Å; S19-E22 VanDerWaalsContact CA-OE2 3.24Å; S19-E22 WeakPolarHBondContact CA-OE2 3.35Å; S19-E22 PolarHBondContact OG-OE2 3.04Å; E22-S24 PolarHBondContact O-N 3.39Å; E22-S24 VanDerWaalsContact O-N 3.12Å; E22-Q25 PolarHBondContact O-N 2.74Å; E22-Q25 VanDerWaalsContact O-N 3.08Å; E22-S26 WeakPolarHBondContact O-CB 3.31Å; E22-S26 PolarHBondContact O-N 3.47Å; E22-S26 PolarHBondContact O-OG 3.44Å
23	L	34.1	Very low	32.6	Very low	52 Å²	52	95.1 Å²	95.1	27%	0.272	55%	0.551	S	S	.	*	H	α-helix	trans	-67.1	-6.4	175.2	-87.9	167.4	0	0	0	114.9	S19 K21 Y27 L801	S19-L23 WeakPolarHBondContact O-CB 3.29Å; S19-L23 PolarHBondContact O-N 3.25Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 2.78Å; L23-Y27 HydrophobicContact CD2-CE2 4.39Å; L23-Y27 WeakPolarHBondContact O-CD2 3.45Å; L23-L801 HydrophobicContact CD1-CD1 4.03Å
24	S	33.1	Very low	32.3	Very low	68 Å²	68	96.7 Å²	96.7	48%	0.476	56%	0.56	S	S	.	*	H	α-helix	trans	-96.1	-28.9	169.7	73.3	0	0	0	0	112.5	K21 E22	K21-S24 WeakPolarHBondContact O-CA 3.27Å; K21-S24 WeakPolarHBondContact O-CB 3.29Å; K21-S24 PolarHBondContact O-N 3.36Å; K21-S24 PolarHBondContact O-OG 2.96Å; E22-S24 PolarHBondContact O-N 3.39Å; E22-S24 VanDerWaalsContact O-N 3.12Å
25	Q	33	Very low	32.2	Very low	138 Å²	138	97.1 Å²	97.1	65%	0.645	57%	0.568	S	S	*	*	H	α-helix	trans	-82.6	-38.4	177	-70	174.1	-47	0	0	111.8	K21 E22 Y27 N28	K21-Q25 PolarHBondContact O-N 3.12Å; K21-Q25 VanDerWaalsContact O-N 3.11Å; E22-Q25 PolarHBondContact O-N 2.74Å; E22-Q25 VanDerWaalsContact O-N 3.08Å; Q25-Y27 PolarHBondContact O-N 2.75Å; Q25-Y27 VanDerWaalsContact O-N 3.1Å; Q25-N28 PolarHBondContact O-N 3.08Å; Q25-N28 VanDerWaalsContact O-N 3.11Å
26	S	31.2	Very low	31.7	Very low	70 Å²	70	96.9 Å²	96.9	49%	0.49	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	-10	-179.7	72.8	0	0	0	0	114.7	E22	E22-S26 WeakPolarHBondContact O-CB 3.31Å; E22-S26 PolarHBondContact O-N 3.47Å; E22-S26 PolarHBondContact O-OG 3.44Å
27	Y	31.2	Very low	31.2	Very low	137 Å²	137	99.8 Å²	99.8	54%	0.537	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	-14.2	174.3	-91.9	-84.5	0	0	0	114.1	L23 Q25 P1000	L23-Y27 HydrophobicContact CD2-CE2 4.39Å; L23-Y27 WeakPolarHBondContact O-CD2 3.45Å; Q25-Y27 PolarHBondContact O-N 2.75Å; Q25-Y27 VanDerWaalsContact O-N 3.1Å; Y27-P1000 HydrophobicContact CE1-CG 4.03Å
28	N	27.8	Very low	30.7	Very low	133 Å²	133	103.3 Å²	103.3	71%	0.711	63%	0.626	S	S	*	*	S	Bend	trans	-91.5	2.4	176.9	-73.8	-3.6	0	0	0	113.2	Q25	Q25-N28 PolarHBondContact O-N 3.08Å; Q25-N28 VanDerWaalsContact O-N 3.11Å
29	A	28.3	Very low	30.4	Very low	83 Å²	83	106 Å²	106	69%	0.686	64%	0.644	S	S	*	*	S	Bend	trans	-91.8	10.5	-176.5	0	0	0	0	0	114.7
30	V	28.6	Very low	30	Very low	133 Å²	133	111.4 Å²	111.4	81%	0.806	67%	0.671	S	S	*	*	S	Bend	trans	-128.9	44.7	-175.5	-160.2	0	0	0	0	112
31	S	24.9	Very low	29.6	Very low	109 Å²	109	116.7 Å²	116.7	76%	0.762	70%	0.696	S	S	*	*			trans	-155.1	72.4	171.9	57.8	0	0	0	0	110.2
32	G	24.6	Very low	29.3	Very low	75 Å²	75	115.1 Å²	115.1	77%	0.773	70%	0.699	S	S	*	*			trans	-157.1	25	-163.9	0	0	0	0	0	117.8
33	T	26.4	Very low	28.8	Very low	136 Å²	136	114.6 Å²	114.6	83%	0.834	71%	0.708	S	S	*	*			trans	-139.4	77.5	170.6	54.9	0	0	0	0	111.1
34	V	26	Very low	28.7	Very low	138 Å²	138	118.5 Å²	118.5	84%	0.836	73%	0.734	S	S	*	*			trans	-104.3	110.8	162.3	177.1	0	0	0	0	106.6	S36	V34-S36 PolarHBondContact O-N 2.97Å
35	N	28.1	Very low	28.5	Very low	161 Å²	161	122.1 Å²	122.1	86%	0.861	75%	0.748	S	S	*	*			trans	-69.8	113.5	174.5	-88.6	1	0	0	0	109.4	G37	N35-G37 PolarHBondContact O-N 3.49Å
36	S	27.6	Very low	28.4	Very low	101 Å²	101	121.7 Å²	121.7	71%	0.706	76%	0.757	S	S	*	*			trans	-77.7	96.4	174.6	53.8	0	0	0	0	111	V34 L38	V34-S36 PolarHBondContact O-N 2.97Å; S36-L38 PolarHBondContact O-N 3.44Å
37	G	26.4	Very low	28.5	Very low	82 Å²	82	124.6 Å²	124.6	85%	0.845	77%	0.771	S	S	*	*			trans	-77.5	105.1	159.5	0	0	0	0	0	109.5	N35	N35-G37 PolarHBondContact O-N 3.49Å
38	L	26.5	Very low	28.4	Very low	153 Å²	153	123.3 Å²	123.3	80%	0.801	78%	0.783	S	S	*	*			trans	-104.1	124.9	176.6	-91.2	166.7	0	0	0	110.7	S36	S36-L38 PolarHBondContact O-N 3.44Å
39	S	32.1	Very low	28.6	Very low	115 Å²	115	123.2 Å²	123.2	80%	0.804	79%	0.789	S	S	*	*			trans	-146.5	118.2	161.4	58.1	0	0	0	0	109.2
40	N	27.8	Very low	28.7	Very low	143 Å²	143	123.5 Å²	123.5	77%	0.765	79%	0.791	S	S	*	*			trans	-64.2	161.6	-168.7	-52.8	-39.9	0	0	0	114.5
41	I	31	Very low	28.9	Very low	163 Å²	163	125.4 Å²	125.4	84%	0.836	79%	0.791	S	S	*	*				-156.9	147.6	128	-103.3	153	0	0	0	110.5
42	T	31.1	Very low	29.1	Very low	118 Å²	118	124.9 Å²	124.9	72%	0.724	79%	0.787	S	S	*	*			trans	-43.9	139.9	-179.8	47.9	0	0	0	0	115.3
43	S	25.8	Very low	29.3	Very low	99 Å²	99	130.1 Å²	130.1	69%	0.692	79%	0.791	S	S	*	*			cis	87.7	108	37	79.5	0	0	0	0	116.5
44	T	31	Very low	29.3	Very low	133 Å²	133	128.7 Å²	128.7	82%	0.816	79%	0.786	S	S	*	*			trans	-163.6	128.9	148.3	24	0	0	0	0	113.2
45	N	29.5	Very low	29.4	Very low	145 Å²	145	128.7 Å²	128.7	78%	0.775	78%	0.782	S	S	*	*			trans	45.7	119.9	146.6	-56.4	-2	0	0	0	123.3
46	P	30.1	Very low	29.4	Very low	128 Å²	128	127.6 Å²	127.6	83%	0.831	77%	0.774	S	S	*	*			trans	-101.6	154	150.9	37.5	-30	0	0	0	112.7
47	V	32.8	Very low	29.6	Very low	131 Å²	131	129.5 Å²	129.5	79%	0.794	78%	0.781	S	S	*	*			trans	-141.1	122.9	175.2	179.4	0	0	0	0	112.8
48	S	29.6	Very low	29.6	Very low	111 Å²	111	128.5 Å²	128.5	78%	0.776	77%	0.771	S	S	*	*			trans	45.4	128.7	152.7	-54.4	0	0	0	0	123.8
49	P	31.7	Very low	30.3	Very low	131 Å²	131	126.7 Å²	126.7	85%	0.851	77%	0.769	S	S	*	*			trans	-121.3	134.4	152.1	36.4	-24.2	0	0	0	114.3
50	A	31	Very low	30.3	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	77%	0.77	S	S	*	*			trans	-159.4	157.2	164.8	0	0	0	0	0	108.3
51	H	32.7	Very low	30.4	Very low	174 Å²	174	125.5 Å²	125.5	81%	0.806	77%	0.769	S	S	*	*			cis	-142.5	164	17.2	-105.8	-77	0	0	0	112.1
52	C	29.3	Very low	30.4	Very low	98 Å²	98	124.2 Å²	124.2	66%	0.662	77%	0.773	S	S	*	*			trans	27.8	140.2	148.7	-50	0	0	0	0	121.4
53	Q	28.3	Very low	30.4	Very low	185 Å²	185	121.5 Å²	121.5	86%	0.864	77%	0.768	S	S	*	*				53.5	146.4	54.4	-59.4	-175.1	-2.6	0	0	114
54	S	27.8	Very low	30.7	Very low	106 Å²	106	122.3 Å²	122.3	74%	0.741	77%	0.773	S	S	*	*			cis	-173.3	167.3	-30.2	74.3	0	0	0	0	106.6
55	N	27.1	Very low	30.7	Very low	138 Å²	138	121.7 Å²	121.7	74%	0.738	78%	0.775	S	S	*	*			cis	-167.1	-174.3	4.3	-155	-11.2	0	0	0	110
56	I	28.9	Very low	30.7	Very low	138 Å²	138	118.1 Å²	118.1	71%	0.708	77%	0.772	S	S	*	*			trans	79.6	124.7	146.2	-79.4	164.8	0	0	0	121.6
57	V	30.9	Very low	30.8	Very low	140 Å²	140	118 Å²	118	85%	0.848	77%	0.774	S	S	*	*			trans	76	140.8	153.1	164.2	0	0	0	0	121.6
58	G	27.3	Very low	30.5	Very low	62 Å²	62	118 Å²	118	64%	0.639	78%	0.775	S	S	*	*			trans	-112.7	-129.8	170.8	0	0	0	0	0	111.6
59	P	41.5	Very low	30.4	Very low	115 Å²	115	118.7 Å²	118.7	75%	0.747	77%	0.774	S	S	*	*			cis	-148	-162.6	-0.3	46	-25.8	0	0	0	115.9
60	I	32	Very low	30.4	Very low	161 Å²	161	119 Å²	119	83%	0.826	77%	0.768	S	S	*	*			trans	73.7	128.5	153.6	-69.6	169	0	0	0	121.2
61	G	30.1	Very low	30.4	Very low	72 Å²	72	122.1 Å²	122.1	74%	0.742	77%	0.773	S	S	*	*			trans	148.1	142.2	132.9	0	0	0	0	0	116.6
62	C	30.9	Very low	30.2	Very low	136 Å²	136	116.4 Å²	116.4	92%	0.919	76%	0.761	S	S	*	*			cis	-163.4	158.1	-34.5	-143.5	0	0	0	0	111.4
63	G	29.7	Very low	30.3	Very low	60 Å²	60	119.3 Å²	119.3	62%	0.619	77%	0.77	S	S	*	*			trans	135.5	111.4	165.9	0	0	0	0	0	113.1
64	S	33.1	Very low	30.6	Very low	116 Å²	116	118.7 Å²	118.7	81%	0.811	77%	0.767	S	S	*	*			cis	90.4	132.7	42.7	74	0	0	0	0	113.7
65	S	29.6	Very low	30.7	Very low	121 Å²	121	118.3 Å²	118.3	85%	0.846	76%	0.764	S	S	*	*			cis	-176.8	156.1	-10.5	44.4	0	0	0	0	111.8
66	G	29.6	Very low	30.8	Very low	69 Å²	69	119.9 Å²	119.9	71%	0.711	77%	0.771	S	S	*	*			trans	109.5	163.3	158.3	0	0	0	0	0	116.1
67	S	32.1	Very low	31.6	Very low	125 Å²	125	118.3 Å²	118.3	87%	0.874	77%	0.771	S	S	*	*			cis	-170.8	166.7	-23.1	35	0	0	0	0	109.8
68	T	26.8	Very low	31.8	Very low	132 Å²	132	117.3 Å²	117.3	81%	0.81	77%	0.767	S	S	*	*			trans	-117.4	147.3	-160.6	40.4	0	0	0	0	117.1
69	V	28.2	Very low	31.7	Very low	125 Å²	125	122 Å²	122	76%	0.758	78%	0.776	S	S	*	*			trans	85.3	152	143.6	160.8	0	0	0	0	119.9
70	N	31.3	Very low	30.9	Very low	137 Å²	137	122.6 Å²	122.6	73%	0.733	78%	0.782	S	S	*	*			trans	79.5	138.9	171.3	-81.1	-9.1	0	0	0	118.2
71	N	31.8	Very low	30.7	Very low	154 Å²	154	118.9 Å²	118.9	82%	0.824	78%	0.783	S	S	*	*			cis	-160.2	164.5	-12.8	-150.8	-9	0	0	0	112.7
72	G	28.7	Very low	30.5	Very low	55 Å²	55	124.6 Å²	124.6	57%	0.567	79%	0.793	S	S	*	*			trans	97.8	96	150.5	0	0	0	0	0	120
73	N	31.3	Very low	30.4	Very low	158 Å²	158	122.6 Å²	122.6	85%	0.845	79%	0.786	S	S	*	*				-170.5	153.3	105.8	-105.1	-17.2	0	0	0	115.8
74	H	33	Very low	30.6	Very low	173 Å²	173	125 Å²	125	80%	0.801	79%	0.791	S	S	*	*			trans	-58.2	166.2	179.4	-59.6	-86	0	0	0	116
75	S	30.9	Very low	30.3	Very low	97 Å²	97	129.2 Å²	129.2	68%	0.678	79%	0.794	S	S	*	*			cis	-176.2	134.9	-19.2	52.6	0	0	0	0	113.2
76	L	28.7	Very low	30.5	Very low	171 Å²	171	131.2 Å²	131.2	90%	0.895	79%	0.794	S	S	*	*			trans	53.8	159.1	150.7	-68.7	172.7	0	0	0	123
77	P	46.8	Very low	30.8	Very low	106 Å²	106	134.1 Å²	134.1	69%	0.688	80%	0.8	S	S	*	*			trans	-118.2	178.6	-172.3	44.2	-33.7	0	0	0	115.4
78	P	35.1	Very low	30.6	Very low	119 Å²	119	131.3 Å²	131.3	77%	0.773	79%	0.791	S	S	*	*			trans	-132.3	162.2	130.6	36.5	-24.7	0	0	0	112.5
79	L	25.4	Very low	30.6	Very low	159 Å²	159	129.8 Å²	129.8	83%	0.832	79%	0.792	S	S	*	*			cis	82.5	132.8	33.9	-104.4	173.9	0	0	0	116.5
80	C	24.4	Very low	31	Very low	129 Å²	129	128.9 Å²	128.9	87%	0.872	79%	0.788	S	S	*	*			trans	64.2	128.8	170.8	-76.1	0	0	0	0	120.4
81	G	27.7	Very low	30.8	Very low	82 Å²	82	133.1 Å²	133.1	85%	0.845	80%	0.796	S	S	*	*			trans	-164.7	111.1	165.3	0	0	0	0	0	109.5
82	M	25.9	Very low	30.7	Very low	193 Å²	193	129.4 Å²	129.4	95%	0.951	79%	0.794	S	S	*	*			trans	-128.7	163.9	-175	-114	-165.8	177.7	0	0	110.9
83	A	27.8	Very low	30.5	Very low	93 Å²	93	134.1 Å²	134.1	77%	0.769	80%	0.804	S	S	*	*			trans	75.2	167.1	163.7	0	0	0	0	0	116.7
84	P	34.5	Very low	30.5	Very low	111 Å²	111	132.1 Å²	132.1	72%	0.721	80%	0.803	S	S	*	*				-141.8	166.4	-51.3	38.5	-24.2	0	0	0	116.3
85	K	27.3	Very low	30.2	Very low	205 Å²	205	131.8 Å²	131.8	89%	0.891	81%	0.807	S	S	*	*			trans	54.7	145.5	142.4	-71.5	176.6	177.4	179.8	0	122.4
86	I	34.2	Very low	30	Very low	162 Å²	162	130.4 Å²	130.4	83%	0.831	81%	0.808	S	S	*	*			trans	-93.9	146.9	174.3	-33.5	171.9	0	0	0	109.6
87	P	34.4	Very low	30	Very low	130 Å²	130	128.4 Å²	128.4	84%	0.844	81%	0.805	S	S	*	*				-143.3	173.5	100.9	37.6	-22.4	0	0	0	112.7
88	G	29.3	Very low	29.1	Very low	66 Å²	66	130 Å²	130	68%	0.68	81%	0.813	S	S	*	*			cis	161.6	118.2	-10.7	0	0	0	0	0	114.3
89	A	26.3	Very low	28.7	Very low	100 Å²	100	133.1 Å²	133.1	83%	0.826	82%	0.817	S	S	*	*			trans	64.4	176.1	158.4	0	0	0	0	0	118.6
90	P	37.2	Very low	28.7	Very low	106 Å²	106	131.6 Å²	131.6	69%	0.688	81%	0.814	S	S	*	*			cis	-135.6	-179.1	-7.1	44.5	-28.4	0	0	0	116.5
91	Y	26.6	Very low	28.8	Very low	227 Å²	227	131.4 Å²	131.4	89%	0.89	81%	0.809	S	S	*	*			trans	39.9	133.9	156.3	-69.5	-65.6	0	0	0	124.2
92	G	29.4	Very low	28.7	Very low	76 Å²	76	135.8 Å²	135.8	78%	0.784	81%	0.807	S	S	*	*			trans	-163.7	130.7	156.6	0	0	0	0	0	110.8
93	I	25.5	Very low	28.7	Very low	153 Å²	153	133.5 Å²	133.5	79%	0.785	80%	0.799	S	S	*	*			trans	-120.8	135.4	-176.3	-60.9	170.5	0	0	0	109.4
94	S	30.6	Very low	28.5	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	80%	0.801	S	S	*	*			trans	-149.6	141.4	155.1	60.1	0	0	0	0	111.7
95	N	25.7	Very low	28.1	Very low	166 Å²	166	135.3 Å²	135.3	89%	0.888	80%	0.802	S	S	*	*			trans	-102.1	146.4	166.9	-72.3	-42.5	0	0	0	108.5
96	G	27.2	Very low	27.9	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	80%	0.803	S	S	*	*			trans	-156.2	138	172.5	0	0	0	0	0	109.7
97	P	30.1	Very low	27.3	Very low	130 Å²	130	129.1 Å²	129.1	84%	0.844	80%	0.797	S	S	*	*			trans	-83.5	152.8	-163.1	32.7	-36.3	0	0	0	114
98	T	26.2	Very low	26.8	Very low	138 Å²	138	128.9 Å²	128.9	85%	0.847	80%	0.798	S	S	*	*			trans	-87.4	111.2	169.4	49.9	0	0	0	0	111
99	E	28	Very low	26.5	Very low	185 Å²	185	130.8 Å²	130.8	86%	0.864	81%	0.807	S	S	*	*			trans	-78.1	160.9	162.6	-74.7	-160.2	128.8	0	0	112.3
100	V	24.9	Very low	26.4	Very low	128 Å²	128	130.8 Å²	130.8	78%	0.776	81%	0.807	S	S	*	*			trans	-96.5	112.5	-174.5	178.8	0	0	0	0	110.5
101	V	27.4	Very low	25.8	Very low	125 Å²	125	133.7 Å²	133.7	76%	0.758	82%	0.817	S	S	*	*			trans	-128.9	115.1	164.6	-177.6	0	0	0	0	109.8	N103	V101-N103 PolarHBondContact O-N 3.35Å
102	H	24.5	Very low	25.5	Very low	174 Å²	174	126.3 Å²	126.3	81%	0.806	81%	0.81	S	S	*	*			trans	-65.6	123.7	167.4	-89.7	-105.7	0	0	0	109.8
103	N	26	Very low	25.4	Very low	145 Å²	145	126.8 Å²	126.8	78%	0.775	80%	0.801	S	S	*	*			trans	-148.7	128.4	158.6	-130.3	-33.6	0	0	0	113.1	V101 S105	V101-N103 PolarHBondContact O-N 3.35Å; N103-S105 PolarHBondContact O-N 3.02Å
104	V	24.2	Very low	25.2	Very low	133 Å²	133	123.3 Å²	123.3	81%	0.806	80%	0.803	S	S	*	*			trans	-86.6	103.4	-168.8	179.3	0	0	0	0	110.2
105	S	25.7	Very low	24.9	Very low	108 Å²	108	122.4 Å²	122.4	76%	0.755	80%	0.797	S	S	*	*			trans	-121.6	110.8	178.3	51	0	0	0	0	112.1	N103 G107	N103-S105 PolarHBondContact O-N 3.02Å; S105-G107 PolarHBondContact O-N 3.03Å
106	N	22.8	Very low	24.8	Very low	171 Å²	171	117.4 Å²	117.4	91%	0.914	78%	0.775	S	S	*	*			trans	-76.9	87.5	179.4	-98	-52.1	0	0	0	111.3
107	G	22	Very low	24.5	Very low	67 Å²	67	118.9 Å²	118.9	69%	0.691	77%	0.772	S	S	*	*			trans	-112.5	88.6	-170.4	0	0	0	0	0	116.9	S105	S105-G107 PolarHBondContact O-N 3.03Å
108	S	22.5	Very low	24.2	Very low	125 Å²	125	116.2 Å²	116.2	87%	0.874	76%	0.755	S	S	*	*			trans	34.4	95.7	147.1	-62.4	0	0	0	0	120.8
109	A	23.1	Very low	24.2	Very low	106 Å²	106	113.4 Å²	113.4	88%	0.876	74%	0.737	S	S	*	*			trans	-143.7	76.6	161.4	0	0	0	0	0	113.2
110	A	24	Very low	24.1	Very low	100 Å²	100	106.5 Å²	106.5	83%	0.826	71%	0.708	S	S	*	*			trans	-145	72.4	-179.4	0	0	0	0	0	113.2	G112	A110-G112 PolarHBondContact O-N 3.03Å
111	N	24.6	Very low	24.1	Very low	167 Å²	167	102.9 Å²	102.9	89%	0.893	70%	0.696	S	S	*	*			trans	-66.5	120.1	172.7	-99.4	-27.1	0	0	0	111.1	S113	N111-S113 PolarHBondContact O-N 3.08Å
112	G	21.4	Very low	24	Very low	71 Å²	71	98.7 Å²	98.7	73%	0.732	68%	0.679	S	S	*	*			trans	-69	94.4	-178.4	0	0	0	0	0	112.7	A110	A110-G112 PolarHBondContact O-N 3.03Å
113	S	26	Very low	24.1	Very low	87 Å²	87	94.1 Å²	94.1	61%	0.608	66%	0.663	S	S	*	*			trans	-96	145	168	59.6	0	0	0	0	110.8	N111 S115	N111-S113 PolarHBondContact O-N 3.08Å; S113-S115 PolarHBondContact O-N 2.58Å
114	G	22.1	Very low	24	Very low	80 Å²	80	90.4 Å²	90.4	83%	0.825	66%	0.659	S	S	*	*			trans	-76.1	63.5	-179.9	0	0	0	0	0	112.8	S116	G114-S116 PolarHBondContact O-N 2.98Å
115	S	23.7	Very low	24.1	Very low	97 Å²	97	89 Å²	89	68%	0.678	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-63.8	131.9	170.7	49.6	0	0	0	0	110.2	S113	S113-S115 PolarHBondContact O-N 2.58Å
116	S	24.2	Very low	24	Very low	62 Å²	62	86.9 Å²	86.9	43%	0.434	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-61.7	147.7	161	-64.2	0	0	0	0	108.5	G114 Y954	G114-S116 PolarHBondContact O-N 2.98Å; S116-Y954 PolarHBondContact OG-OH 2.91Å
117	P	21.8	Very low	24	Very low	98 Å²	98	82.7 Å²	82.7	64%	0.636	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-55.5	130.4	179.1	24.3	-33.9	0	0	0	108.9	V119	P117-V119 PolarHBondContact O-N 3.16Å
118	P	23.7	Very low	24.1	Very low	73 Å²	73	83.1 Å²	83.1	47%	0.474	61%	0.608	S	S	.	*			trans	-64.7	102.5	177	24.5	-32.3	0	0	0	108.7	V120 T511 I515	P118-V120 PolarHBondContact O-N 3.01Å; P118-T511 HydrophobicContact CB-CG2 3.98Å; P118-T511 HydrophobicContact CG-CG2 3.62Å; P118-I515 HydrophobicContact CB-CD1 3.53Å; P118-I515 HydrophobicContact CG-CD1 3.83Å
119	V	25.7	Very low	24.3	Very low	80 Å²	80	81.7 Å²	81.7	49%	0.485	59%	0.591	S	S	.	*			trans	-74.3	83.6	178.1	-177	0	0	0	0	108.1	P117 G121	P117-V119 PolarHBondContact O-N 3.16Å; V119-G121 PolarHBondContact O-N 2.7Å
120	V	26	Very low	24.3	Very low	40 Å²	40	82.2 Å²	82.2	24%	0.242	59%	0.587	C	S	.	*			trans	-71.5	62.9	157.7	-171.4	0	0	0	0	107.9	P118 L506 T511	P118-V120 PolarHBondContact O-N 3.01Å; V120-L506 HydrophobicContact CG1-CB 4.41Å; V120-L506 HydrophobicContact CG1-CD1 4.15Å; V120-L506 HydrophobicContact CG1-CG 4.18Å; V120-T511 HydrophobicContact CG2-CG2 3.51Å
121	G	24.4	Very low	24.4	Very low	52 Å²	52	83.7 Å²	83.7	54%	0.536	59%	0.586	S	S	.	*			trans	-79.2	124.3	155.6	0	0	0	0	0	106.2	V119 V123	V119-G121 PolarHBondContact O-N 2.7Å; G121-V123 PolarHBondContact O-N 2.75Å
122	G	25.1	Very low	24.2	Very low	37 Å²	37	79.5 Å²	79.5	38%	0.381	58%	0.582	S	S	.	*			trans	-54.4	143	177.9	0	0	0	0	0	110.5	G124	G122-G124 PolarHBondContact O-N 2.82Å
123	V	26.9	Very low	24.3	Very low	78 Å²	78	79.5 Å²	79.5	47%	0.473	58%	0.582	S	S	.	*			trans	-43.3	113.2	174.4	-174.9	0	0	0	0	108.4	G121 D125 R501	G121-V123 PolarHBondContact O-N 2.75Å; V123-D125 PolarHBondContact O-N 3.22Å; V123-R501 PolarHBondContact O-NH2 2.82Å; V123-R501 VanDerWaalsContact O-NH2 3.09Å
124	G	24.6	Very low	24.2	Very low	67 Å²	67	80 Å²	80	69%	0.691	59%	0.592	S	S	*	*			trans	-70.5	118.4	174.2	0	0	0	0	0	107.4	G122 A126	G122-G124 PolarHBondContact O-N 2.82Å; G124-A126 PolarHBondContact O-N 2.79Å; G124-A126 VanDerWaalsContact O-N 3.08Å
125	D	26.4	Very low	24.2	Very low	103 Å²	103	80.2 Å²	80.2	55%	0.551	59%	0.594	S	S	*	*			trans	-63.7	112	174.3	-65.8	-64	0	0	0	107.9	V123 G328 R501	V123-D125 PolarHBondContact O-N 3.22Å; D125-G328 VanDerWaalsContact OD1-CA 3.3Å; D125-G328 WeakPolarHBondContact OD1-CA 3.4Å; D125-R501 IonicContact OD2-NH1 3.36Å
126	A	24	Very low	24.3	Very low	64 Å²	64	81.2 Å²	81.2	53%	0.529	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-56.2	137.3	171	0	0	0	0	0	108.4	G124	G124-A126 PolarHBondContact O-N 2.79Å; G124-A126 VanDerWaalsContact O-N 3.08Å
127	P	22	Very low	24.3	Very low	82 Å²	82	84.2 Å²	84.2	53%	0.532	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-58.2	134.7	-179.8	24.6	-33.4	0	0	0	109.2	L129	P127-L129 PolarHBondContact O-N 2.78Å
128	P	24.2	Very low	24.6	Very low	77 Å²	77	84.3 Å²	84.3	50%	0.5	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-60.8	136.4	167.7	27.9	-32.8	0	0	0	107.8	S130	P128-S130 PolarHBondContact O-N 3.43Å
129	L	25.9	Very low	24.7	Very low	95 Å²	95	84.2 Å²	84.2	50%	0.497	64%	0.643	S	S	.	*			trans	-55.4	112.1	177	-71.3	165.6	0	0	0	108.9	P127 V131 I310	P127-L129 PolarHBondContact O-N 2.78Å; L129-V131 PolarHBondContact O-N 3.11Å; L129-I310 HydrophobicContact CB-CD1 4.45Å; L129-I310 HydrophobicContact CD1-CD1 3.78Å; L129-I310 HydrophobicContact CD1-CG1 4.06Å
130	S	22.6	Very low	25	Very low	116 Å²	116	86.6 Å²	86.6	81%	0.811	66%	0.66	S	S	*	*			trans	-85.4	96.2	-179.6	54.3	0	0	0	0	109	P128 G132	P128-S130 PolarHBondContact O-N 3.43Å; S130-G132 PolarHBondContact O-N 3.05Å
131	V	26.6	Very low	24.9	Very low	131 Å²	131	88.5 Å²	88.5	79%	0.794	69%	0.688	S	S	*	*			trans	-58.6	128.5	165.1	-178.4	0	0	0	0	107.9	L129 G133	L129-V131 PolarHBondContact O-N 3.11Å; V131-G133 PolarHBondContact O-N 2.92Å
132	G	21.2	Very low	25.4	Very low	79 Å²	79	91.4 Å²	91.4	81%	0.814	70%	0.7	S	S	*	*			trans	-72.3	90.8	-179.2	0	0	0	0	0	111.6	S130	S130-G132 PolarHBondContact O-N 3.05Å
133	G	23.9	Very low	25.4	Very low	71 Å²	71	98 Å²	98	73%	0.732	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-69.9	126.7	165.1	0	0	0	0	0	110.1	V131	V131-G133 PolarHBondContact O-N 2.92Å
134	A	24.3	Very low	25.8	Very low	98 Å²	98	100 Å²	100	81%	0.81	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-59.7	140.7	178.3	0	0	0	0	0	111.4	S136	A134-S136 PolarHBondContact O-N 3.02Å
135	G	22	Very low	26.1	Very low	84 Å²	84	103 Å²	103	87%	0.866	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-70.7	118	-179.1	0	0	0	0	0	112
136	S	25.2	Very low	26.4	Very low	118 Å²	118	102 Å²	102	83%	0.825	77%	0.769	S	S	*	*			trans	-107.9	105.6	162.5	-66.8	0	0	0	0	108.7	A134 A138	A134-S136 PolarHBondContact O-N 3.02Å; S136-A138 PolarHBondContact O-N 3.06Å
137	S	24.3	Very low	26.9	Very low	126 Å²	126	105 Å²	105	88%	0.881	79%	0.785	S	S	*	*			trans	-76.8	111	-179.6	51	0	0	0	0	111.2
138	A	27.2	Very low	27.3	Very low	99 Å²	99	105.2 Å²	105.2	82%	0.818	80%	0.803	S	S	*	*			trans	-124.7	95	168.7	0	0	0	0	0	109.1	S136	S136-A138 PolarHBondContact O-N 3.06Å
139	G	25.4	Very low	27.7	Very low	71 Å²	71	105.7 Å²	105.7	73%	0.732	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86.7	139	172.5	0	0	0	0	0	111	G141	G139-G141 PolarHBondContact O-N 3.25Å
140	P	32.4	Very low	27.9	Very low	131 Å²	131	106.5 Å²	106.5	85%	0.851	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-72.9	125	166.6	30.7	-31.4	0	0	0	109
141	G	24.9	Very low	28.4	Very low	80 Å²	80	105 Å²	105	83%	0.825	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-70.2	144.2	174.9	0	0	0	0	0	112	G139	G139-G141 PolarHBondContact O-N 3.25Å
142	S	33.7	Very low	28.6	Very low	113 Å²	113	102.1 Å²	102.1	79%	0.79	84%	0.842	S	S	*	*			trans	-137.5	120.8	166.6	58.6	0	0	0	0	108.9
143	N	26.8	Very low	29.2	Very low	174 Å²	174	104.1 Å²	104.1	93%	0.93	84%	0.843	S	S	*	*			trans	-68.8	133.2	-176.1	-66.4	-14.8	0	0	0	111.9
144	S	35	Very low	29.4	Very low	121 Å²	121	109.4 Å²	109.4	85%	0.846	85%	0.853	S	S	*	*			trans	-143.1	132.3	149.2	55.3	0	0	0	0	109.9
145	S	30.7	Very low	29.7	Very low	130 Å²	130	108.5 Å²	108.5	91%	0.909	85%	0.853	S	S	*	*			trans	-88.2	135.2	-178.3	49.9	0	0	0	0	111.4
146	G	32.3	Very low	30.1	Very low	82 Å²	82	108.2 Å²	108.2	85%	0.845	85%	0.85	S	S	*	*			trans	-156.2	134.6	170.4	0	0	0	0	0	109.9
147	S	33.5	Very low	30.2	Very low	126 Å²	126	109.1 Å²	109.1	88%	0.881	86%	0.856	S	S	*	*			trans	-116.8	153.6	-164.2	54.4	0	0	0	0	114.3
148	G	31.4	Very low	30.4	Very low	88 Å²	88	106.5 Å²	106.5	91%	0.907	85%	0.849	S	S	*	*			trans	100.5	143.5	150.4	0	0	0	0	0	117
149	G	32.2	Very low	30.4	Very low	86 Å²	86	107.3 Å²	107.3	89%	0.887	85%	0.849	S	S	*	*			trans	127.4	88.1	175	0	0	0	0	0	112.8
150	A	30.6	Very low	30.5	Very low	112 Å²	112	107 Å²	107	93%	0.926	85%	0.845	S	S	*	*			trans	-116.2	149.7	179.7	0	0	0	0	0	112.1
151	G	32.9	Very low	30.4	Very low	84 Å²	84	109.6 Å²	109.6	87%	0.866	85%	0.846	S	S	*	*			trans	128.9	138.5	177.4	0	0	0	0	0	112.1
152	G	31	Very low	30.6	Very low	72 Å²	72	111.1 Å²	111.1	74%	0.742	84%	0.844	S	S	*	*			cis	173	156.3	-5.9	0	0	0	0	0	111.8
153	S	33.2	Very low	30.3	Very low	120 Å²	120	110.7 Å²	110.7	84%	0.839	84%	0.841	S	S	*	*			trans	62.4	85.1	166.9	-57.2	0	0	0	0	119.2
154	I	28.8	Very low	30.5	Very low	182 Å²	182	106.9 Å²	106.9	93%	0.933	83%	0.834	S	S	*	*				23	123.5	114.5	-53.2	170.5	0	0	0	117.1
155	G	30.3	Very low	30.2	Very low	79 Å²	79	105.5 Å²	105.5	81%	0.814	82%	0.824	S	S	*	*			trans	159.3	120.1	155.6	0	0	0	0	0	114.6
156	G	30.2	Very low	30.2	Very low	78 Å²	78	105 Å²	105	80%	0.804	82%	0.816	S	S	*	*			trans	136.4	95	169.7	0	0	0	0	0	115.1	G158	G156-G158 PolarHBondContact O-N 3.44Å
157	S	27	Very low	30.2	Very low	137 Å²	137	108.6 Å²	108.6	96%	0.958	81%	0.811	S	S	*	*			trans	-67.6	125.5	171.8	-56	0	0	0	0	110.9
158	G	28.7	Very low	30.5	Very low	71 Å²	71	111.1 Å²	111.1	73%	0.732	81%	0.808	S	S	*	*			trans	-167.5	50.4	-172.4	0	0	0	0	0	114	G156 G160	G156-G158 PolarHBondContact O-N 3.44Å; G158-G160 PolarHBondContact O-N 2.83Å
159	S	28	Very low	31.6	Very low	117 Å²	117	112.8 Å²	112.8	82%	0.818	80%	0.796	S	S	*	*			trans	-73.4	45.5	178	59.6	0	0	0	0	113.3	H161	S159-H161 PolarHBondContact O-N 2.86Å
160	G	27.9	Very low	33.1	Very low	63 Å²	63	114.6 Å²	114.6	65%	0.649	78%	0.783	S	S	*	*			trans	-66	114.4	168.6	0	0	0	0	0	109.1	G158 S162	G158-G160 PolarHBondContact O-N 2.83Å; G160-S162 PolarHBondContact O-N 3.23Å
161	H	29.3	Very low	35.2	Very low	186 Å²	186	115.7 Å²	115.7	86%	0.861	77%	0.769	S	S	*	*			trans	-66.6	86.8	165.7	-79.6	19.1	0	0	0	108.6	S159 S163	S159-H161 PolarHBondContact O-N 2.86Å; H161-S163 PolarHBondContact O-N 2.98Å
162	S	28.4	Very low	37.8	Very low	113 Å²	113	112.7 Å²	112.7	79%	0.79	73%	0.733	S	S	*	*			trans	-66.7	83.5	167.4	59.4	0	0	0	0	108	G160 A164	G160-S162 PolarHBondContact O-N 3.23Å; S162-A164 PolarHBondContact O-N 3.29Å
163	S	28.2	Very low	40.5	Very low	104 Å²	104	114.8 Å²	114.8	73%	0.727	72%	0.723	S	S	*	*			trans	-50.8	109.2	168.5	54.9	0	0	0	0	107.2	H161 S165	H161-S163 PolarHBondContact O-N 2.98Å; S163-S165 VanDerWaalsContact C-N 3.26Å; S163-S165 PolarHBondContact O-N 2.91Å
164	A	30.2	Very low	43.4	Very low	93 Å²	93	109.5 Å²	109.5	77%	0.769	69%	0.686	S	S	*	*			trans	-63.8	95.8	175.8	0	0	0	0	0	106.5	S162 T166	S162-A164 PolarHBondContact O-N 3.29Å; A164-T166 VanDerWaalsContact C-N 3.35Å; A164-T166 PolarHBondContact O-N 3.46Å
165	S	29	Very low	46.6	Very low	92 Å²	92	102.3 Å²	102.3	64%	0.643	65%	0.651	S	S	*	*			trans	-65.2	101.5	-173.2	47.8	0	0	0	0	107.2	S163 Q167	S163-S165 VanDerWaalsContact C-N 3.26Å; S163-S165 PolarHBondContact O-N 2.91Å; S165-Q167 PolarHBondContact O-N 3.01Å
166	T	31.7	Very low	49.6	Very low	121 Å²	121	101.2 Å²	101.2	74%	0.742	63%	0.634	S	S	*	*			trans	-67.7	85	169.8	-58.9	0	0	0	0	105.3	A164 H168	A164-T166 VanDerWaalsContact C-N 3.35Å; A164-T166 PolarHBondContact O-N 3.46Å; T166-H168 VanDerWaalsContact C-N 3.35Å; T166-H168 PolarHBondContact O-N 3.16Å
167	Q	32.6	Very low	52.6	Low	157 Å²	157	99.4 Å²	99.4	73%	0.734	60%	0.603	S	S	*	*			trans	-56	105.6	174.3	-70.3	-173.7	-2.4	0	0	105.6	S165 L169	S165-Q167 PolarHBondContact O-N 3.01Å; Q167-L169 PolarHBondContact O-N 3.27Å
168	H	39.7	Very low	55.9	Low	178 Å²	178	96.5 Å²	96.5	82%	0.824	58%	0.581	S	S	*	*			trans	-60.2	96.8	174.9	-110.5	-98.4	0	0	0	106.4	T166 I170	T166-H168 VanDerWaalsContact C-N 3.35Å; T166-H168 PolarHBondContact O-N 3.16Å; H168-I170 PolarHBondContact O-N 3.23Å
169	L	54.9	Low	59	Low	124 Å²	124	94.7 Å²	94.7	65%	0.649	56%	0.563	S	S	*	*			trans	-62.5	99.3	-176.4	-87.3	162.7	0	0	0	106.9	Q167 Q171 R835	Q167-L169 PolarHBondContact O-N 3.27Å; L169-Q171 PolarHBondContact O-N 2.86Å; L169-R835 VanDerWaalsContact CD2-NH1 3.34Å
170	I	62.9	Low	62.1	Low	123 Å²	123	95.3 Å²	95.3	63%	0.631	55%	0.547	S	S	*	.			trans	-49.8	103.9	-175	-62.3	170.5	0	0	0	108.5	H168 F172 R835	H168-I170 PolarHBondContact O-N 3.23Å; I170-F172 HydrophobicContact CG2-CD1 4.45Å; I170-F172 HydrophobicContact CG2-CE1 3.93Å; I170-F172 HydrophobicContact CG2-CZ 4.27Å; I170-R835 PolarHBondContact O-NH2 2.83Å
171	Q	73.6	Confident	65.3	Low	135 Å²	135	92.8 Å²	92.8	63%	0.631	52%	0.521	S	S	*	.			trans	-92.6	115.2	-173.4	-179.7	170.1	-21.7	0	0	107.1	L169 N831	L169-Q171 PolarHBondContact O-N 2.86Å; Q171-N831 WeakPolarHBondContact CA-OD1 3.21Å
172	F	87.4	Confident	68.5	Low	22 Å²	22	88.4 Å²	88.4	10%	0.096	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-78.1	135.5	178.3	-52.3	-72.1	0	0	0	110	I170 L830 N831 L834 R835 W919	I170-F172 HydrophobicContact CG2-CD1 4.45Å; I170-F172 HydrophobicContact CG2-CE1 3.93Å; I170-F172 HydrophobicContact CG2-CZ 4.27Å; F172-L830 HydrophobicContact CB-CD2 3.77Å; F172-L830 HydrophobicContact CB-CG 4.04Å; F172-N831 VanDerWaalsContact CD2-OD1 3.23Å; F172-N831 WeakPolarHBondContact CD2-OD1 3.38Å; F172-N831 PolarHBondContact N-OD1 3.4Å; F172-L834 HydrophobicContact CB-CD2 4.42Å; F172-L834 HydrophobicContact CD1-CD2 3.99Å; F172-L834 HydrophobicContact CD2-CD2 3.96Å; F172-L834 HydrophobicContact CE1-CD2 4.27Å; F172-L834 HydrophobicContact CE2-CD2 4.24Å; F172-L834 HydrophobicContact CG-CD2 3.84Å; F172-L834 HydrophobicContact CZ-CD2 4.4Å; F172-R835 HydrophobicContact CE2-CG 3.72Å; F172-R835 HydrophobicContact CZ-CG 4.16Å; F172-W919 HydrophobicContact CB-CE3 3.92Å; F172-W919 HydrophobicContact CB-CZ3 3.82Å; F172-W919 HydrophobicContact CD1-CE3 4.32Å; F172-W919 AromaticContact CD1-CH2 3.96Å; F172-W919 HydrophobicContact CD1-CH2 3.96Å; F172-W919 AromaticContact CD1-CZ3 3.84Å; F172-W919 HydrophobicContact CD1-CZ3 3.84Å; F172-W919 HydrophobicContact CG-CE3 4.43Å; F172-W919 HydrophobicContact CG-CZ3 4.24Å
173	E	89.5	Confident	71.6	Confident	115 Å²	115	87.3 Å²	87.3	54%	0.537	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-101	148.7	170	-62.3	-169.8	160.7	0	0	110.4	R302	E173-R302 IonicContact OE2-CZ 3.15Å; E173-R302 IonicContact OE2-NH1 3.01Å; E173-R302 PolarHBondContact OE2-NH1 2.8Å
174	P	93.6	Very high	74.8	Confident	9 Å²	9	83.7 Å²	83.7	6%	0.058	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-58.2	146.6	166.9	-26.2	37.9	0	0	0	112.3	R302 E895 L918	P174-R302 PolarHBondContact O-NH2 2.95Å; P174-E895 HydrophobicContact CB-CG 4.17Å; P174-E895 WeakPolarHBondContact CG-OE1 3.07Å; P174-L918 WeakPolarHBondContact CA-O 3.42Å; P174-L918 HydrophobicContact CB-CD2 4.45Å; P174-L918 HydrophobicContact CG-CD2 3.99Å
175	P	95	Very high	78	Confident	32 Å²	32	85.1 Å²	85.1	21%	0.208	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-63.7	146	173.3	26.6	-34.7	0	0	0	111.5	F896 V917 D920	P175-F896 HydrophobicContact CG-CB 4.42Å; P175-F896 PolarHBondContact O-N 3.47Å; P175-V917 WeakPolarHBondContact CD-O 3.14Å; P175-V917 HydrophobicContact CG-CB 4.4Å; P175-V917 HydrophobicContact CG-CG1 3.98Å; P175-D920 HydrophobicContact CG-CB 4.4Å
176	A	93.5	Very high	81.2	Confident	55 Å²	55	84.8 Å²	84.8	46%	0.455	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-64.3	150.1	166.1	0	0	0	0	0	110.4	P178 T894	A176-P178 WeakPolarHBondContact O-CD 3.15Å; A176-T894 WeakPolarHBondContact CA-O 3.29Å
177	R	94.6	Very high	84.3	Confident	40 Å²	40	79.2 Å²	79.2	15%	0.151	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-59.1	120.2	176.6	-173.1	-173.3	-56.4	-74	-4.7	110.6	G179 D887 H892 T894 E895 F896 D897	R177-G179 VanDerWaalsContact C-N 3.28Å; R177-G179 WeakPolarHBondContact CD-O 3.22Å; R177-G179 WeakPolarHBondContact CG-O 3.46Å; R177-G179 PolarHBondContact O-N 3Å; R177-D887 PolarHBondContact NH1-O 3.24Å; R177-H892 PolarHBondContact NH2-O 2.86Å; R177-T894 PolarHBondContact N-O 3.24Å; R177-E895 VanDerWaalsContact CZ-O 3.24Å; R177-E895 PolarHBondContact NH2-O 3.3Å; R177-F896 HydrophobicContact CG-CD2 4.47Å; R177-D897 IonicContact CZ-OD1 3.31Å; R177-D897 PolarHBondContact NH1-O 2.86Å; R177-D897 IonicContact NH1-OD1 2.93Å; R177-D897 IonicContact NH2-OD1 2.86Å; R177-D897 PolarHBondContact NH2-OD1 3.4Å
178	P	95	Very high	87.5	Confident	77 Å²	77	74 Å²	74	50%	0.5	40%	0.401	S	S	.	.			trans	-75.7	-15.3	-175.8	30.4	-35.8	0	0	0	113.6	A176 F896 F924	A176-P178 WeakPolarHBondContact O-CD 3.15Å; P178-F896 VanDerWaalsContact CD-CD1 3.47Å; P178-F896 HydrophobicContact CG-CD1 3.93Å; P178-F896 HydrophobicContact CG-CD2 4.44Å; P178-F896 HydrophobicContact CG-CE1 3.51Å; P178-F896 HydrophobicContact CG-CE2 4.08Å; P178-F896 HydrophobicContact CG-CG 4.37Å; P178-F896 HydrophobicContact CG-CZ 3.58Å; P178-F924 WeakPolarHBondContact CG-O 3.39Å
179	G	93.7	Very high	90.3	Very high	33 Å²	33	65.6 Å²	65.6	34%	0.34	36%	0.363	S	S	.	.			trans	167.9	-173.2	179.6	0	0	0	0	0	111.4	R177	R177-G179 VanDerWaalsContact C-N 3.28Å; R177-G179 WeakPolarHBondContact CD-O 3.22Å; R177-G179 WeakPolarHBondContact CG-O 3.46Å; R177-G179 PolarHBondContact O-N 3Å
180	R	93.1	Very high	92.3	Very high	130 Å²	130	62.4 Å²	62.4	49%	0.491	34%	0.342	S	S	.	.			trans	-103	146.7	163.9	-60.3	-174.7	-168.3	169.9	13.8	108.4
181	G	95.3	Very high	94	Very high	10 Å²	10	56.5 Å²	56.5	10%	0.103	31%	0.312	C	S	.	.			trans	-69.7	149.7	172.3	0	0	0	0	0	111.3	R561 D887 D927	G181-R561 PolarHBondContact O-NE 2.87Å; G181-D887 PolarHBondContact N-OD2 3.5Å; G181-D927 WeakPolarHBondContact CA-OD1 3.37Å; G181-D927 WeakPolarHBondContact CA-OD2 3.12Å
182	S	96	Very high	95.1	Very high	94 Å²	94	50.1 Å²	50.1	66%	0.657	28%	0.282	S	S	*	.			trans	-117	-22.5	-175.9	65.4	0	0	0	0	112.4	D927	S182-D927 WeakPolarHBondContact CB-OD2 3.34Å; S182-D927 PolarHBondContact N-OD1 3.47Å; S182-D927 PolarHBondContact N-OD2 2.9Å; S182-D927 PolarHBondContact OG-OD2 2.92Å
183	E	94.7	Very high	95.6	Very high	89 Å²	89	49.1 Å²	49.1	42%	0.416	28%	0.278	S	S	.	.			trans	-79.6	150.2	-174.1	-72.6	-162.5	-179.8	0	0	113.8	R561 D927 N931	E183-R561 WeakPolarHBondContact O-CB 3.36Å; E183-R561 WeakPolarHBondContact O-CD 3.48Å; E183-R561 PolarHBondContact O-NH1 3.11Å; E183-D927 HydrophobicContact CG-CB 4.26Å; E183-D927 PolarHBondContact N-OD1 2.71Å; E183-N931 PolarHBondContact OE2-ND2 3.42Å
184	G	95.3	Very high	95.9	Very high	29 Å²	29	43.6 Å²	43.6	30%	0.299	25%	0.252	S	S	.	.	S	Bend	trans	94.9	156.4	179.5	0	0	0	0	0	113.4	V562	G184-V562 CarbonylContact C-O 3.48Å; G184-V562 WeakPolarHBondContact CA-O 3.48Å
185	R	96.4	Very high	96	Very high	123 Å²	123	44.7 Å²	44.7	46%	0.464	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.6	179.9	67.4	167.5	-171.9	96	-11.4	110.6	R561 V562 D872	R185-R561 CarbonylContact O-C 3.51Å; R185-R561 VanDerWaalsContact O-CA 3.3Å; R185-R561 WeakPolarHBondContact O-CA 3.48Å; R185-V562 HydrophobicContact CG-CB 3.87Å; R185-V562 HydrophobicContact CG-CG2 4.22Å; R185-V562 PolarHBondContact N-O 3.26Å; R185-V562 VanDerWaalsContact N-O 3.1Å; R185-V562 PolarHBondContact O-N 3.01Å; R185-D872 IonicContact CZ-OD1 2.64Å; R185-D872 IonicContact NH1-OD1 2.83Å; R185-D872 PolarHBondContact NH1-OD1 3.24Å; R185-D872 IonicContact NH2-OD1 3.59Å; R185-D872 PolarHBondContact NH2-OD1 2.68Å
186	C	96.9	Very high	96	Very high	85 Å²	85	43.2 Å²	43.2	57%	0.574	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	145.1	171.3	-68.9	0	0	0	0	111.3	Q559 G560	C186-Q559 HydrophobicContact CB-CG 4.36Å; C186-G560 WeakPolarHBondContact CA-O 3.35Å
187	I	97.7	Very high	96	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	131.8	171	-178.5	170.4	0	0	0	108.8	L189 Q559 G560 V562 D872 P881 T884	I187-L189 HydrophobicContact CD1-CD2 3.93Å; I187-L189 HydrophobicContact CG1-CD2 3.86Å; I187-L189 HydrophobicContact CG1-CG 4.44Å; I187-L189 HydrophobicContact CG2-CD1 4.35Å; I187-L189 HydrophobicContact CG2-CD2 4.28Å; I187-L189 HydrophobicContact CG2-CG 4.24Å; I187-Q559 PolarHBondContact O-NE2 3.27Å; I187-G560 PolarHBondContact N-O 3.38Å; I187-G560 PolarHBondContact O-N 2.84Å; I187-V562 HydrophobicContact CB-CG2 3.88Å; I187-V562 HydrophobicContact CD1-CG2 4.12Å; I187-V562 HydrophobicContact CG2-CG2 3.57Å; I187-D872 HydrophobicContact CD1-CB 3.88Å; I187-D872 HydrophobicContact CG1-CB 4.29Å; I187-P881 HydrophobicContact CD1-CG 3.8Å; I187-T884 HydrophobicContact CG2-CG2 4.22Å
188	S	98.2	Very high	95.8	Very high	47 Å²	47	47.5 Å²	47.5	33%	0.329	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.7	179.5	-57.1	0	0	0	0	109.5	Q559 A868	S188-Q559 PolarHBondContact OG-NE2 2.96Å; S188-A868 WeakPolarHBondContact O-CB 3.41Å; S188-A868 PolarHBondContact O-N 3.23Å
189	L	98.5	Very high	95.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.8	-169.5	-59	175.7	0	0	0	111.3	I187 E557 I558 L865 F866 I880 T884 V886	I187-L189 HydrophobicContact CD1-CD2 3.93Å; I187-L189 HydrophobicContact CG1-CD2 3.86Å; I187-L189 HydrophobicContact CG1-CG 4.44Å; I187-L189 HydrophobicContact CG2-CD1 4.35Å; I187-L189 HydrophobicContact CG2-CD2 4.28Å; I187-L189 HydrophobicContact CG2-CG 4.24Å; L189-E557 WeakPolarHBondContact O-CA 3.29Å; L189-I558 HydrophobicContact CB-CB 4.42Å; L189-I558 WeakPolarHBondContact CB-O 3.4Å; L189-I558 PolarHBondContact N-O 3.46Å; L189-I558 PolarHBondContact O-N 2.91Å; L189-L865 HydrophobicContact CD1-CD1 4.45Å; L189-F866 CarbonylContact C-O 3.6Å; L189-F866 VanDerWaalsContact CA-O 3.25Å; L189-F866 WeakPolarHBondContact CA-O 3.49Å; L189-I880 HydrophobicContact CD2-CG2 3.63Å; L189-T884 HydrophobicContact CD1-CG2 3.65Å; L189-T884 HydrophobicContact CD2-CG2 4.25Å; L189-V886 HydrophobicContact CD1-CG2 3.59Å
190	R	98.1	Very high	95.2	Very high	57 Å²	57	50.7 Å²	50.7	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.4	165.8	-73.8	169.2	-67.9	142.2	9.9	109	E526 M555 A556 E557 F866 C867	R190-E526 IonicContact CZ-OE1 2.74Å; R190-E526 IonicContact CZ-OE2 2.72Å; R190-E526 IonicContact NE-OE1 3.33Å; R190-E526 PolarHBondContact NE-OE1 2.89Å; R190-E526 IonicContact NH1-OE1 3.1Å; R190-E526 PolarHBondContact NH1-OE1 3.42Å; R190-E526 IonicContact NH1-OE2 3.6Å; R190-E526 PolarHBondContact NH1-OE2 3.03Å; R190-E526 VanDerWaalsContact NH2-CD 3.26Å; R190-E526 IonicContact NH2-OE1 3.63Å; R190-E526 PolarHBondContact NH2-OE1 3.04Å; R190-E526 IonicContact NH2-OE2 3.32Å; R190-E526 PolarHBondContact NH2-OE2 3.45Å; R190-M555 HydrophobicContact CB-CB 4.2Å; R190-M555 HydrophobicContact CB-SD 4.46Å; R190-A556 CarbonylContact C-O 3.59Å; R190-A556 WeakPolarHBondContact CA-O 3.49Å; R190-E557 HydrophobicContact CG-CG 4.06Å; R190-F866 PolarHBondContact N-O 3.01Å; R190-F866 PolarHBondContact O-N 2.88Å; R190-C867 PolarHBondContact NH2-O 2.8Å
191	A	97.9	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.3	176.2	0	0	0	0	0	111.1	H193 M555 A556 I558 R864 L865 I890	A191-H193 HydrophobicContact CB-CB 4.47Å; A191-H193 PolarHBondContact O-N 3.01Å; A191-M555 WeakPolarHBondContact O-CB 3.38Å; A191-M555 VanDerWaalsContact O-CG 3.31Å; A191-M555 WeakPolarHBondContact O-CG 3.42Å; A191-A556 PolarHBondContact N-O 2.88Å; A191-A556 PolarHBondContact O-N 3.35Å; A191-I558 HydrophobicContact CB-CD1 3.6Å; A191-R864 WeakPolarHBondContact CA-O 3.16Å; A191-L865 HydrophobicContact CB-CD2 3.87Å; A191-I890 HydrophobicContact CB-CD1 4.02Å; A191-I890 HydrophobicContact CB-CG2 4.19Å
192	N	97.5	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-75.5	43	173	70.2	-26.1	0	0	0	113.4	N366 I367 I529 M555 H862 T863 R864 F866	N192-N366 VanDerWaalsContact CG-ND2 3.31Å; N192-N366 PolarHBondContact ND2-ND2 3.06Å; N192-N366 WeakPolarHBondContact O-CA 3.5Å; N192-N366 PolarHBondContact O-ND2 2.81Å; N192-N366 PolarHBondContact OD1-ND2 2.89Å; N192-N366 VanDerWaalsContact OD1-ND2 3.11Å; N192-I367 VanDerWaalsContact CB-O 3.31Å; N192-I367 WeakPolarHBondContact CB-O 3.47Å; N192-I367 PolarHBondContact ND2-O 2.88Å; N192-I367 PolarHBondContact O-N 3.35Å; N192-I367 VanDerWaalsContact O-N 3.16Å; N192-I529 HydrophobicContact CB-CD1 4.08Å; N192-I529 HydrophobicContact CB-CG2 4.37Å; N192-M555 HydrophobicContact CB-CE 4.15Å; N192-H862 PolarHBondContact ND2-O 2.95Å; N192-T863 WeakPolarHBondContact OD1-CA 3.14Å; N192-R864 PolarHBondContact N-O 2.74Å; N192-R864 PolarHBondContact OD1-N 3.41Å; N192-R864 PolarHBondContact OD1-O 2.87Å; N192-F866 HydrophobicContact CB-CE2 4.31Å
193	H	97.2	Very high	94.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.9	174.8	-74.2	49.7	0	0	0	107.1	A191 M364 L365 N366 A556 I890	A191-H193 HydrophobicContact CB-CB 4.47Å; A191-H193 PolarHBondContact O-N 3.01Å; H193-M364 HydrophobicContact CB-CB 4.24Å; H193-M364 HydrophobicContact CB-CG 4.3Å; H193-M364 HydrophobicContact CB-SD 3.94Å; H193-L365 WeakPolarHBondContact CA-O 3.48Å; H193-N366 VanDerWaalsContact CE1-CG 3.42Å; H193-N366 PolarHBondContact CE1-ND2 2.98Å; H193-N366 PolarHBondContact ND1-ND2 3.24Å; H193-A556 HydrophobicContact CB-CB 4.32Å; H193-A556 WeakPolarHBondContact O-CB 3.46Å; H193-A556 PolarHBondContact O-N 2.92Å; H193-I890 HydrophobicContact CB-CG2 3.89Å
194	F	96.4	Very high	94.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.3	-173.4	-63.6	-91.3	0	0	0	108.2	I196 L365 I367 I529 V533 V551 N552 R554 M555	F194-I196 PolarHBondContact O-N 2.59Å; F194-L365 HydrophobicContact CB-CB 4.32Å; F194-L365 PolarHBondContact N-O 2.87Å; F194-L365 PolarHBondContact O-N 2.96Å; F194-I367 HydrophobicContact CD2-CB 4.3Å; F194-I367 HydrophobicContact CD2-CG1 4.19Å; F194-I367 HydrophobicContact CE2-CB 4.09Å; F194-I367 HydrophobicContact CE2-CG1 4.43Å; F194-I529 HydrophobicContact CE2-CG2 4.04Å; F194-I529 HydrophobicContact CZ-CG2 4.01Å; F194-V533 HydrophobicContact CD1-CG1 4.14Å; F194-V533 HydrophobicContact CD1-CG2 4.47Å; F194-V533 HydrophobicContact CD2-CG2 4.29Å; F194-V533 HydrophobicContact CE1-CB 4.29Å; F194-V533 HydrophobicContact CE1-CG1 4.04Å; F194-V533 HydrophobicContact CE1-CG2 4.01Å; F194-V533 HydrophobicContact CE2-CG2 3.82Å; F194-V533 HydrophobicContact CZ-CB 4.36Å; F194-V533 HydrophobicContact CZ-CG2 3.67Å; F194-V551 HydrophobicContact CB-CG1 4.01Å; F194-N552 WeakPolarHBondContact CB-O 3.34Å; F194-N552 WeakPolarHBondContact CD1-O 3.4Å; F194-R554 VanDerWaalsContact CD1-O 3.25Å; F194-R554 WeakPolarHBondContact CD1-O 3.5Å; F194-M555 HydrophobicContact CE1-CB 4.4Å; F194-M555 HydrophobicContact CE1-CG 3.74Å; F194-M555 HydrophobicContact CE2-CG 4.28Å; F194-M555 HydrophobicContact CZ-CB 4.5Å; F194-M555 HydrophobicContact CZ-CE 4.09Å; F194-M555 HydrophobicContact CZ-CG 3.46Å; F194-M555 VanDerWaalsContact CZ-CG 3.46Å
195	E	95.3	Very high	95	Very high	32 Å²	32	42 Å²	42	15%	0.15	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	125.6	-175	178.8	-157.8	175.7	0	0	110.6	R197 R362 V551 N552	E195-R197 HydrophobicContact CG-CG 4.44Å; E195-R197 IonicContact OE1-CZ 3.31Å; E195-R197 IonicContact OE1-NE 2.89Å; E195-R197 PolarHBondContact OE1-NE 2.81Å; E195-R197 IonicContact OE1-NH2 2.63Å; E195-R197 PolarHBondContact OE1-NH2 2.75Å; E195-R197 IonicContact OE2-CZ 2.66Å; E195-R197 IonicContact OE2-NE 3.9Å; E195-R197 IonicContact OE2-NH2 2.73Å; E195-R197 PolarHBondContact OE2-NH2 3.44Å; E195-R197 VanDerWaalsContact OE2-NH2 3.17Å; E195-R362 HydrophobicContact CG-CB 4.41Å; E195-R362 HydrophobicContact CG-CG 4.2Å; E195-R362 IonicContact OE1-NE 3Å; E195-V551 WeakPolarHBondContact O-CA 3.48Å; E195-N552 HydrophobicContact CB-CB 3.73Å; E195-N552 PolarHBondContact O-N 3.07Å; E195-N552 PolarHBondContact OE2-ND2 2.79Å
196	I	94.8	Very high	95	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121	170.5	-54.5	172.5	0	0	0	108.1	F194 M198 V356 M363 L365 I549	F194-I196 PolarHBondContact O-N 2.59Å; I196-M198 HydrophobicContact CG2-CG 4.22Å; I196-V356 HydrophobicContact CD1-CB 4.47Å; I196-V356 HydrophobicContact CD1-CG1 4Å; I196-V356 HydrophobicContact CD1-CG2 3.96Å; I196-M363 HydrophobicContact CB-CB 4.01Å; I196-M363 HydrophobicContact CD1-CB 4.26Å; I196-M363 PolarHBondContact N-O 2.85Å; I196-L365 HydrophobicContact CD1-CB 3.89Å; I196-L365 HydrophobicContact CD1-CD1 4.46Å; I196-L365 HydrophobicContact CG1-CB 3.87Å; I196-I549 HydrophobicContact CG2-CG2 3.72Å
197	R	92.8	Very high	94.9	Very high	146 Å²	146	34.7 Å²	34.7	55%	0.551	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.2	168	-64	-174.4	179.8	177.6	6.1	108.8	E195 I549 N550	E195-R197 HydrophobicContact CG-CG 4.44Å; E195-R197 IonicContact OE1-CZ 3.31Å; E195-R197 IonicContact OE1-NE 2.89Å; E195-R197 PolarHBondContact OE1-NE 2.81Å; E195-R197 IonicContact OE1-NH2 2.63Å; E195-R197 PolarHBondContact OE1-NH2 2.75Å; E195-R197 IonicContact OE2-CZ 2.66Å; E195-R197 IonicContact OE2-NE 3.9Å; E195-R197 IonicContact OE2-NH2 2.73Å; E195-R197 PolarHBondContact OE2-NH2 3.44Å; E195-R197 VanDerWaalsContact OE2-NH2 3.17Å; R197-I549 WeakPolarHBondContact O-CA 3.49Å; R197-N550 HydrophobicContact CB-CB 4.41Å; R197-N550 PolarHBondContact N-O 2.84Å; R197-N550 PolarHBondContact O-N 3.43Å
198	M	90.3	Very high	94.8	Very high	38 Å²	38	34.6 Å²	34.6	19%	0.187	17%	0.166	C	C	.	.			trans	-106.1	152.3	-176.7	-55.4	177.8	-65.2	0	0	109.4	I196 L293 L297 L312 M363	I196-M198 HydrophobicContact CG2-CG 4.22Å; M198-L293 HydrophobicContact CE-CD2 4.26Å; M198-L293 HydrophobicContact CE-CG 4.45Å; M198-L293 HydrophobicContact SD-CD2 3.92Å; M198-L297 HydrophobicContact CE-CD1 3.89Å; M198-L312 HydrophobicContact CG-CD2 4.36Å; M198-L312 HydrophobicContact SD-CD1 3.46Å; M198-L312 WeakPolarHBondContact SD-CD1 3.48Å; M198-L312 HydrophobicContact SD-CD2 4.25Å; M198-M363 HydrophobicContact CE-CG 3.76Å; M198-M363 HydrophobicContact SD-CB 4.2Å; M198-M363 HydrophobicContact SD-CG 3.49Å; M198-M363 WeakPolarHBondContact SD-CG 3.44Å
199	P	89.2	Confident	94.7	Very high	28 Å²	28	33.7 Å²	33.7	18%	0.182	16%	0.16	C	C	.	.			trans	-71.8	167.4	166.8	36.7	-40.6	0	0	0	110.8	L290 F547	P199-L290 HydrophobicContact CG-CD1 3.77Å; P199-F547 VanDerWaalsContact CG-O 3.29Å; P199-F547 WeakPolarHBondContact CG-O 3.48Å
200	K	87.2	Confident	94.5	Very high	150 Å²	150	34 Å²	34	65%	0.652	16%	0.161	S	C	*	.	S	Bend	trans	-85.7	157.6	162.9	-65	-169.1	173.5	-169.1	0	110.7
201	G	90.8	Very high	94.3	Very high	26 Å²	26	35 Å²	35	27%	0.268	17%	0.174	S	C	.	.	S	Bend	trans	110.8	-150	178.3	0	0	0	0	0	113.3	L290	G201-L290 PolarHBondContact O-N 3Å
202	F	92.9	Very high	93.9	Very high	100 Å²	100	38.7 Å²	38.7	44%	0.439	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	163.5	-174.1	-59.8	-91.3	0	0	0	111.3	E287 V288	F202-E287 HydrophobicContact CB-CB 4.39Å; F202-E287 HydrophobicContact CD1-CB 4.13Å; F202-V288 CarbonylContact C-O 3.36Å; F202-V288 WeakPolarHBondContact CA-O 3.28Å
203	L	95.1	Very high	93.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.7	166.4	-56.4	175.5	0	0	0	108.6	V288 L290 I315 F547	L203-V288 HydrophobicContact CB-CB 4.36Å; L203-V288 PolarHBondContact N-O 2.9Å; L203-V288 PolarHBondContact O-N 3.25Å; L203-L290 HydrophobicContact CD1-CD1 4.16Å; L203-L290 HydrophobicContact CD1-CD2 3.94Å; L203-L290 HydrophobicContact CD1-CG 4.24Å; L203-L290 HydrophobicContact CD2-CD1 4.1Å; L203-L290 HydrophobicContact CG-CD1 3.94Å; L203-L290 HydrophobicContact CG-CD2 4.37Å; L203-L290 HydrophobicContact CG-CG 4.13Å; L203-I315 HydrophobicContact CD1-CD1 3.72Å; L203-F547 HydrophobicContact CD2-CD1 3.63Å; L203-F547 HydrophobicContact CD2-CE1 3.85Å
204	H	95.2	Very high	92.6	Very high	17 Å²	17	54.4 Å²	54.4	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.5	-178.8	-59.4	-87.7	0	0	0	110	Y206 Y251 T252 E254 P255 H284 E287	H204-Y206 HydrophobicContact CB-CE2 3.7Å; H204-Y206 WeakPolarHBondContact CB-OH 3.47Å; H204-Y206 WeakPolarHBondContact O-CE2 3.35Å; H204-Y251 VanDerWaalsContact O-CA 3.24Å; H204-Y251 WeakPolarHBondContact O-CA 3.34Å; H204-T252 PolarHBondContact N-O 2.95Å; H204-T252 PolarHBondContact O-N 3.49Å; H204-E254 VanDerWaalsContact CD2-C 3.46Å; H204-P255 WeakPolarHBondContact NE2-CD 3.49Å; H204-H284 AromaticContact ND1-NE2 3.54Å; H204-E287 IonicContact CE1-OE1 2.71Å; H204-E287 PolarHBondContact CE1-OE1 3.35Å; H204-E287 VanDerWaalsContact CE1-OE1 3.24Å; H204-E287 IonicContact ND1-OE1 3.74Å
205	H	96.2	Very high	92.1	Very high	24 Å²	24	55.4 Å²	55.4	11%	0.111	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.7	-179.1	176	-136.3	0	0	0	111.2	N249 Y251 V285 S286 V288	H205-N249 PolarHBondContact NE2-OD1 3.03Å; H205-Y251 HydrophobicContact CB-CD1 3.85Å; H205-Y251 HydrophobicContact CB-CE1 3.7Å; H205-Y251 AromaticContact CD2-CD1 3.89Å; H205-Y251 AromaticContact CD2-CE1 3.34Å; H205-Y251 WeakPolarHBondContact CD2-CE1 3.49Å; H205-Y251 AromaticContact CD2-CZ 3.62Å; H205-Y251 AromaticContact CG-CE1 3.63Å; H205-V285 PolarHBondContact O-N 3.14Å; H205-S286 WeakPolarHBondContact CB-O 3.4Å; H205-S286 PolarHBondContact N-O 3.39Å; H205-V288 HydrophobicContact CB-CG2 4.28Å
206	Y	96.2	Very high	91.8	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137	178.8	-49.8	-97.2	0	0	0	110.7	H204 M250 T252 L256 I258 I282 K283 H284	H204-Y206 HydrophobicContact CB-CE2 3.7Å; H204-Y206 WeakPolarHBondContact CB-OH 3.47Å; H204-Y206 WeakPolarHBondContact O-CE2 3.35Å; Y206-M250 HydrophobicContact CD2-CE 4.09Å; Y206-M250 HydrophobicContact CG-CE 4.12Å; Y206-M250 PolarHBondContact N-O 3.07Å; Y206-M250 PolarHBondContact O-N 3.04Å; Y206-T252 HydrophobicContact CE2-CG2 3.98Å; Y206-T252 VanDerWaalsContact CE2-OG1 3.31Å; Y206-T252 WeakPolarHBondContact CE2-OG1 3.29Å; Y206-T252 PolarHBondContact OH-OG1 3.34Å; Y206-L256 HydrophobicContact CD1-CD1 4.24Å; Y206-L256 HydrophobicContact CD2-CD1 4.34Å; Y206-L256 HydrophobicContact CE1-CB 4.05Å; Y206-L256 HydrophobicContact CE1-CD1 3.86Å; Y206-L256 HydrophobicContact CE1-CG 4.15Å; Y206-L256 HydrophobicContact CE2-CD1 3.99Å; Y206-L256 HydrophobicContact CE2-CG 4.22Å; Y206-L256 HydrophobicContact CG-CD1 4.48Å; Y206-L256 PolarHBondContact OH-N 2.91Å; Y206-I258 HydrophobicContact CD1-CD1 3.94Å; Y206-I258 HydrophobicContact CE1-CD1 3.88Å; Y206-I258 HydrophobicContact CE1-CG1 4.38Å; Y206-I282 HydrophobicContact CD1-CG2 3.99Å; Y206-I282 HydrophobicContact CG-CG2 4.17Å; Y206-K283 CarbonylContact C-O 3.57Å; Y206-K283 WeakPolarHBondContact CA-O 3.26Å; Y206-K283 WeakPolarHBondContact CB-O 3.38Å; Y206-H284 HydrophobicContact CD1-CB 4Å; Y206-H284 HydrophobicContact CE1-CB 3.95Å; Y206-H284 AromaticContact CE1-CD2 3.64Å; Y206-H284 AromaticContact CZ-CD2 3.91Å
207	D	95.5	Very high	91.7	Very high	55 Å²	55	63.8 Å²	63.8	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.1	164.2	-175.8	68.3	0	0	0	108.7	R248 I282 K283 V285	D207-R248 CarbonylContact C-O 3.53Å; D207-R248 WeakPolarHBondContact CA-O 3.46Å; D207-R248 WeakPolarHBondContact OD1-CD 3.44Å; D207-I282 WeakPolarHBondContact O-CA 3.29Å; D207-K283 PolarHBondContact N-O 3.35Å; D207-K283 PolarHBondContact O-N 3.02Å; D207-V285 HydrophobicContact CB-CG2 3.74Å
208	V	95.7	Very high	91.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	108.4	-175.5	178.5	0	0	0	0	109.7	I210 I224 F244 R248 M250 V280 A281	V208-I210 HydrophobicContact CG1-CG1 4.16Å; V208-I224 HydrophobicContact CG1-CD1 3.75Å; V208-F244 HydrophobicContact CB-CE2 4.03Å; V208-F244 HydrophobicContact CG1-CE2 4.19Å; V208-F244 HydrophobicContact CG1-CZ 4.36Å; V208-F244 HydrophobicContact CG2-CE2 4.49Å; V208-R248 PolarHBondContact N-O 3.21Å; V208-R248 WeakPolarHBondContact O-CA 3.36Å; V208-R248 WeakPolarHBondContact O-CG 3.39Å; V208-M250 HydrophobicContact CG2-CB 3.59Å; V208-M250 HydrophobicContact CG2-CE 4.33Å; V208-M250 HydrophobicContact CG2-SD 4.37Å; V208-V280 HydrophobicContact CG1-CG1 3.88Å; V208-A281 CarbonylContact C-O 3.48Å; V208-A281 VanDerWaalsContact CA-O 3.26Å; V208-A281 WeakPolarHBondContact CA-O 3.35Å
209	S	95.3	Very high	91.6	Very high	28 Å²	28	62.9 Å²	62.9	20%	0.196	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.4	175.6	72.3	0	0	0	0	110.6	A281	S209-A281 PolarHBondContact N-O 3.22Å; S209-A281 PolarHBondContact O-N 3.46Å; S209-A281 WeakPolarHBondContact OG-CB 3.47Å
210	I	94.7	Very high	91.9	Very high	8 Å²	8	62 Å²	62	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123	178	-57	178.3	0	0	0	109.2	V208 P212 E213 N220 I223 I224 F244 F278 V280	V208-I210 HydrophobicContact CG1-CG1 4.16Å; I210-P212 CarbonylContact O-C 3.6Å; I210-E213 WeakPolarHBondContact O-CA 3.47Å; I210-E213 PolarHBondContact O-N 3.44Å; I210-N220 HydrophobicContact CD1-CB 3.87Å; I210-I223 HydrophobicContact CD1-CG2 4.38Å; I210-I223 HydrophobicContact CG2-CD1 3.7Å; I210-I223 HydrophobicContact CG2-CG2 4.5Å; I210-I224 HydrophobicContact CD1-CD1 4.18Å; I210-I224 HydrophobicContact CD1-CG1 4.16Å; I210-F244 HydrophobicContact CD1-CE1 4.24Å; I210-F244 HydrophobicContact CD1-CZ 4.12Å; I210-F278 HydrophobicContact CG2-CD1 4.25Å; I210-V280 HydrophobicContact CG1-CG1 4.43Å; I210-V280 HydrophobicContact CG1-CG2 4.35Å
211	T	94.1	Very high	92.2	Very high	80 Å²	80	56 Å²	56	49%	0.491	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.3	175.8	-58.2	0	0	0	0	110	F278 R279	T211-F278 WeakPolarHBondContact O-CA 3.22Å; T211-R279 PolarHBondContact N-O 3.22Å; T211-R279 PolarHBondContact O-N 2.87Å
212	P	90.2	Very high	92.3	Very high	76 Å²	76	57.4 Å²	57.4	49%	0.494	28%	0.279	S	S	.	.	S	Bend	cis	-80.4	133.9	1.4	30.8	-35.7	0	0	0	114.7	I210 K214 C215	I210-P212 CarbonylContact O-C 3.6Å; P212-K214 VanDerWaalsContact C-N 3.27Å; P212-K214 PolarHBondContact O-N 3.44Å; P212-K214 VanDerWaalsContact O-N 3.1Å; P212-C215 PolarHBondContact O-SG 2.86Å
213	E	81.7	Confident	92.4	Very high	121 Å²	121	52.6 Å²	52.6	57%	0.565	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.1	-170.9	-65.5	-163.9	114.1	0	0	116.1	I210 C215 R248	I210-E213 WeakPolarHBondContact O-CA 3.47Å; I210-E213 PolarHBondContact O-N 3.44Å; E213-C215 PolarHBondContact O-N 3.12Å; E213-R248 IonicContact OE1-CZ 3.56Å; E213-R248 IonicContact OE1-NH2 3.94Å; E213-R248 PolarHBondContact OE1-NH2 2.89Å
214	K	84.6	Confident	92.3	Very high	210 Å²	210	52.9 Å²	52.9	91%	0.913	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	19.2	-170.8	-67.6	177.2	-179.6	170.6	0	113.7	P212	P212-K214 VanDerWaalsContact C-N 3.27Å; P212-K214 PolarHBondContact O-N 3.44Å; P212-K214 VanDerWaalsContact O-N 3.1Å
215	C	87.1	Confident	92.2	Very high	21 Å²	21	55.9 Å²	55.9	14%	0.142	27%	0.274	C	S	.	.			trans	-76.1	146.8	178	-72.2	0	0	0	0	112.4	P212 E213 V219 N220	P212-C215 PolarHBondContact O-SG 2.86Å; E213-C215 PolarHBondContact O-N 3.12Å; C215-V219 HydrophobicContact CB-CB 4.47Å; C215-V219 HydrophobicContact CB-CG1 4.43Å; C215-N220 WeakPolarHBondContact CB-OD1 3.35Å
216	P	88.7	Confident	92	Very high	83 Å²	83	57.3 Å²	57.3	54%	0.539	28%	0.284	S	S	.	.			trans	-62.9	144.4	174.8	-21.5	32.8	0	0	0	112.1	R218 V219 N220	P216-R218 PolarHBondContact O-N 2.86Å; P216-V219 HydrophobicContact CB-CG2 4.32Å; P216-V219 HydrophobicContact CG-CG2 4.19Å; P216-V219 WeakPolarHBondContact O-CA 3.4Å; P216-V219 WeakPolarHBondContact O-CB 3.29Å; P216-V219 PolarHBondContact O-N 3.19Å; P216-N220 PolarHBondContact O-N 3.05Å; P216-N220 PolarHBondContact O-OD1 2.83Å
217	R	92.2	Very high	91.9	Very high	126 Å²	126	57.3 Å²	57.3	48%	0.475	28%	0.284	S	S	.	.	H	α-helix	trans	-45.8	-32.8	177	-84.2	-179.9	146.6	173.8	-8	115.3	R221 G246 R247	R217-R221 WeakPolarHBondContact O-CG 3.49Å; R217-R221 PolarHBondContact O-N 2.94Å; R217-G246 WeakPolarHBondContact CA-O 3.14Å; R217-G246 WeakPolarHBondContact CG-O 3.5Å; R217-R247 HydrophobicContact CG-CG 4.25Å
218	R	89.5	Confident	91.7	Very high	144 Å²	144	55.4 Å²	55.4	54%	0.543	28%	0.275	S	S	.	.	H	α-helix	trans	-70.2	-47.6	176	176.1	172	166.4	133.5	11.3	111.8	P216 N220 R221 E222	P216-R218 PolarHBondContact O-N 2.86Å; R218-N220 PolarHBondContact O-N 3.46Å; R218-R221 WeakPolarHBondContact O-CA 3.36Å; R218-R221 WeakPolarHBondContact O-CB 3.43Å; R218-R221 PolarHBondContact O-N 3Å; R218-E222 HydrophobicContact CG-CG 4.47Å; R218-E222 WeakPolarHBondContact CG-OE1 3.37Å; R218-E222 IonicContact CZ-OE1 2.95Å; R218-E222 IonicContact NE-OE1 2.86Å; R218-E222 PolarHBondContact NE-OE1 2.85Å; R218-E222 IonicContact NH2-OE1 2.6Å; R218-E222 PolarHBondContact NH2-OE1 3.29Å; R218-E222 VanDerWaalsContact NH2-OE1 3.09Å; R218-E222 WeakPolarHBondContact O-CG 3.41Å; R218-E222 PolarHBondContact O-N 2.89Å
219	V	91.1	Very high	91.4	Very high	21 Å²	21	60.6 Å²	60.6	13%	0.127	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-38.8	174.6	-177.4	0	0	0	0	110.6	C215 P216 R221 E222 I223 L269 F278	C215-V219 HydrophobicContact CB-CB 4.47Å; C215-V219 HydrophobicContact CB-CG1 4.43Å; P216-V219 HydrophobicContact CB-CG2 4.32Å; P216-V219 HydrophobicContact CG-CG2 4.19Å; P216-V219 WeakPolarHBondContact O-CA 3.4Å; P216-V219 WeakPolarHBondContact O-CB 3.29Å; P216-V219 PolarHBondContact O-N 3.19Å; V219-R221 PolarHBondContact O-N 2.77Å; V219-E222 WeakPolarHBondContact CA-OE2 3.46Å; V219-E222 PolarHBondContact O-N 3.43Å; V219-I223 HydrophobicContact CG1-CD1 4.11Å; V219-I223 HydrophobicContact CG1-CG1 4.43Å; V219-I223 VanDerWaalsContact O-CG1 3.24Å; V219-I223 WeakPolarHBondContact O-CG1 3.33Å; V219-I223 PolarHBondContact O-N 2.88Å; V219-L269 HydrophobicContact CG1-CD1 4.28Å; V219-F278 HydrophobicContact CG1-CZ 4.34Å
220	N	95.1	Very high	91.1	Very high	11 Å²	11	60.8 Å²	60.8	6%	0.059	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-33.2	174.9	-60.9	-0.6	0	0	0	112.3	I210 C215 P216 R218 I224 F244 G246	I210-N220 HydrophobicContact CD1-CB 3.87Å; C215-N220 WeakPolarHBondContact CB-OD1 3.35Å; P216-N220 PolarHBondContact O-N 3.05Å; P216-N220 PolarHBondContact O-OD1 2.83Å; R218-N220 PolarHBondContact O-N 3.46Å; N220-I224 WeakPolarHBondContact O-CG1 3.4Å; N220-I224 PolarHBondContact O-N 3.08Å; N220-F244 HydrophobicContact CB-CE1 4Å; N220-F244 WeakPolarHBondContact O-CE1 3.37Å; N220-G246 WeakPolarHBondContact CB-O 3.3Å; N220-G246 PolarHBondContact ND2-O 3.44Å
221	R	94.8	Very high	90.6	Very high	22 Å²	22	68 Å²	68	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-72.2	-47.9	173.5	-69.8	168.6	177.7	-76.8	-11	111.1	R217 R218 V219 I223 I224 E225 F244 D245 H318 M322	R217-R221 WeakPolarHBondContact O-CG 3.49Å; R217-R221 PolarHBondContact O-N 2.94Å; R218-R221 WeakPolarHBondContact O-CA 3.36Å; R218-R221 WeakPolarHBondContact O-CB 3.43Å; R218-R221 PolarHBondContact O-N 3Å; V219-R221 PolarHBondContact O-N 2.77Å; R221-I223 PolarHBondContact O-N 2.97Å; R221-I224 PolarHBondContact O-N 3.45Å; R221-E225 VanDerWaalsContact O-CB 3.3Å; R221-E225 WeakPolarHBondContact O-CB 3.4Å; R221-E225 PolarHBondContact O-N 2.92Å; R221-F244 HydrophobicContact CG-CD1 4.3Å; R221-F244 PolarHBondContact NH1-O 3.05Å; R221-F244 PolarHBondContact NH2-O 3.42Å; R221-D245 PolarHBondContact NH2-O 3.42Å; R221-H318 PolarHBondContact NH1-ND1 3.08Å; R221-M322 HydrophobicContact CB-CG 4.32Å; R221-M322 HydrophobicContact CB-SD 4.31Å
222	E	92.6	Very high	90.2	Very high	56 Å²	56	71.7 Å²	71.7	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-55.8	-36.8	177.1	-66.8	161.4	167.7	0	0	111.5	R218 V219 T226 L269	R218-E222 HydrophobicContact CG-CG 4.47Å; R218-E222 WeakPolarHBondContact CG-OE1 3.37Å; R218-E222 IonicContact CZ-OE1 2.95Å; R218-E222 IonicContact NE-OE1 2.86Å; R218-E222 PolarHBondContact NE-OE1 2.85Å; R218-E222 IonicContact NH2-OE1 2.6Å; R218-E222 PolarHBondContact NH2-OE1 3.29Å; R218-E222 VanDerWaalsContact NH2-OE1 3.09Å; R218-E222 WeakPolarHBondContact O-CG 3.41Å; R218-E222 PolarHBondContact O-N 2.89Å; V219-E222 WeakPolarHBondContact CA-OE2 3.46Å; V219-E222 PolarHBondContact O-N 3.43Å; E222-T226 WeakPolarHBondContact O-CB 3.36Å; E222-T226 PolarHBondContact O-N 2.8Å; E222-T226 PolarHBondContact O-OG1 2.64Å; E222-L269 HydrophobicContact CB-CD1 4.34Å
223	I	94.1	Very high	90	Very high	0 Å²	0	70 Å²	70	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-54	172	-68.5	165.3	0	0	0	111.6	I210 V219 R221 T226 M227 V267 L269 F278 V280	I210-I223 HydrophobicContact CD1-CG2 4.38Å; I210-I223 HydrophobicContact CG2-CD1 3.7Å; I210-I223 HydrophobicContact CG2-CG2 4.5Å; V219-I223 HydrophobicContact CG1-CD1 4.11Å; V219-I223 HydrophobicContact CG1-CG1 4.43Å; V219-I223 VanDerWaalsContact O-CG1 3.24Å; V219-I223 WeakPolarHBondContact O-CG1 3.33Å; V219-I223 PolarHBondContact O-N 2.88Å; R221-I223 PolarHBondContact O-N 2.97Å; I223-T226 PolarHBondContact O-N 2.92Å; I223-M227 WeakPolarHBondContact O-CB 3.42Å; I223-M227 PolarHBondContact O-N 2.75Å; I223-V267 HydrophobicContact CG2-CB 4.16Å; I223-V267 HydrophobicContact CG2-CG1 4.07Å; I223-V267 HydrophobicContact CG2-CG2 4.39Å; I223-L269 HydrophobicContact CG1-CD1 3.6Å; I223-L269 HydrophobicContact CG1-CG 4.15Å; I223-F278 HydrophobicContact CD1-CB 4.34Å; I223-F278 HydrophobicContact CD1-CD1 3.46Å; I223-F278 VanDerWaalsContact CD1-CD1 3.46Å; I223-F278 HydrophobicContact CD1-CD2 3.8Å; I223-F278 HydrophobicContact CD1-CE1 3.55Å; I223-F278 HydrophobicContact CD1-CE2 3.88Å; I223-F278 HydrophobicContact CD1-CG 3.59Å; I223-F278 HydrophobicContact CD1-CZ 3.75Å; I223-F278 HydrophobicContact CG1-CD1 4.39Å; I223-F278 HydrophobicContact CG1-CD2 3.83Å; I223-F278 HydrophobicContact CG1-CE1 4.48Å; I223-F278 HydrophobicContact CG1-CE2 3.92Å; I223-F278 HydrophobicContact CG1-CG 4.07Å; I223-F278 HydrophobicContact CG1-CZ 4.24Å; I223-F278 HydrophobicContact CG2-CB 4.49Å; I223-V280 HydrophobicContact CG2-CG2 3.5Å
224	I	94.4	Very high	90.2	Very high	6 Å²	6	66.5 Å²	66.5	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-68.7	-36.2	-175.9	-61.8	-59.5	0	0	0	111.6	V208 I210 N220 R221 M227 V228 F244 M250 V280	V208-I224 HydrophobicContact CG1-CD1 3.75Å; I210-I224 HydrophobicContact CD1-CD1 4.18Å; I210-I224 HydrophobicContact CD1-CG1 4.16Å; N220-I224 WeakPolarHBondContact O-CG1 3.4Å; N220-I224 PolarHBondContact O-N 3.08Å; R221-I224 PolarHBondContact O-N 3.45Å; I224-M227 HydrophobicContact CD1-CE 3.53Å; I224-M227 HydrophobicContact CD1-SD 4.34Å; I224-M227 HydrophobicContact CG2-CE 4.1Å; I224-M227 WeakPolarHBondContact O-CB 3.15Å; I224-M227 PolarHBondContact O-N 2.88Å; I224-V228 HydrophobicContact CG2-CG2 4.38Å; I224-V228 WeakPolarHBondContact O-CB 3.38Å; I224-V228 WeakPolarHBondContact O-CG2 3.21Å; I224-V228 PolarHBondContact O-N 3.35Å; I224-F244 HydrophobicContact CB-CD1 4.05Å; I224-F244 HydrophobicContact CB-CE1 4.43Å; I224-F244 HydrophobicContact CG1-CD1 3.69Å; I224-F244 HydrophobicContact CG1-CE1 3.6Å; I224-F244 HydrophobicContact CG1-CG 4.26Å; I224-F244 HydrophobicContact CG1-CZ 4.12Å; I224-F244 HydrophobicContact CG2-CB 4.36Å; I224-F244 HydrophobicContact CG2-CD1 4.44Å; I224-F244 HydrophobicContact CG2-CG 4.46Å; I224-M250 HydrophobicContact CG2-SD 4.34Å; I224-V280 HydrophobicContact CD1-CG1 3.69Å; I224-V280 HydrophobicContact CD1-CG2 4.47Å
225	E	92.5	Very high	90.2	Very high	81 Å²	81	62.3 Å²	62.3	38%	0.379	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-46.9	172.8	-177.3	171.7	-147.7	0	0	111.4	R221 M227 V228 N229	R221-E225 VanDerWaalsContact O-CB 3.3Å; R221-E225 WeakPolarHBondContact O-CB 3.4Å; R221-E225 PolarHBondContact O-N 2.92Å; E225-M227 VanDerWaalsContact C-N 3.33Å; E225-M227 PolarHBondContact O-N 3.46Å; E225-V228 PolarHBondContact O-N 2.65Å; E225-N229 WeakPolarHBondContact O-CB 3.32Å; E225-N229 VanDerWaalsContact O-CG 3.29Å; E225-N229 PolarHBondContact O-N 2.88Å; E225-N229 PolarHBondContact O-ND2 2.73Å; E225-N229 VanDerWaalsContact O-ND2 3.14Å
226	T	92.4	Very high	90.2	Very high	54 Å²	54	63.6 Å²	63.6	33%	0.331	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-38.7	175.3	-56.2	0	0	0	0	111.9	E222 I223 S230 V267 L269	E222-T226 WeakPolarHBondContact O-CB 3.36Å; E222-T226 PolarHBondContact O-N 2.8Å; E222-T226 PolarHBondContact O-OG1 2.64Å; I223-T226 PolarHBondContact O-N 2.92Å; T226-S230 WeakPolarHBondContact O-CB 3.21Å; T226-S230 PolarHBondContact O-N 2.75Å; T226-S230 VanDerWaalsContact O-N 3.07Å; T226-V267 HydrophobicContact CG2-CG1 4.29Å; T226-L269 HydrophobicContact CG2-CD2 4.01Å; T226-L269 WeakPolarHBondContact OG1-CD2 3.46Å
227	M	93.2	Very high	90.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-45.8	177.1	-174.2	-175.4	63.7	0	0	112.5	I223 I224 E225 S230 Y233 F237 L265 V267 V280 I282	I223-M227 WeakPolarHBondContact O-CB 3.42Å; I223-M227 PolarHBondContact O-N 2.75Å; I224-M227 HydrophobicContact CD1-CE 3.53Å; I224-M227 HydrophobicContact CD1-SD 4.34Å; I224-M227 HydrophobicContact CG2-CE 4.1Å; I224-M227 WeakPolarHBondContact O-CB 3.15Å; I224-M227 PolarHBondContact O-N 2.88Å; E225-M227 VanDerWaalsContact C-N 3.33Å; E225-M227 PolarHBondContact O-N 3.46Å; M227-S230 PolarHBondContact O-N 3.4Å; M227-Y233 HydrophobicContact CG-CD2 3.86Å; M227-Y233 HydrophobicContact CG-CE2 4.33Å; M227-F237 HydrophobicContact CE-CE2 4.29Å; M227-F237 HydrophobicContact CE-CZ 3.74Å; M227-F237 HydrophobicContact CG-CE2 4.17Å; M227-F237 HydrophobicContact SD-CZ 4.49Å; M227-L265 HydrophobicContact CG-CD1 4.29Å; M227-L265 HydrophobicContact SD-CB 4.41Å; M227-L265 HydrophobicContact SD-CD1 3.75Å; M227-V267 HydrophobicContact CB-CG1 4.31Å; M227-V267 HydrophobicContact CB-CG2 3.71Å; M227-V267 HydrophobicContact CG-CG2 3.73Å; M227-V267 HydrophobicContact SD-CG2 4.03Å; M227-V280 HydrophobicContact CE-CG1 4.28Å; M227-V280 HydrophobicContact SD-CB 4.02Å; M227-V280 HydrophobicContact SD-CG1 3.76Å; M227-V280 HydrophobicContact SD-CG2 4.37Å; M227-I282 HydrophobicContact CE-CD1 3.85Å; M227-I282 HydrophobicContact SD-CD1 4.19Å
228	V	91.5	Very high	89.5	Confident	16 Å²	16	61.1 Å²	61.1	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-68.3	-38.3	179.5	167.8	0	0	0	0	111.5	I224 E225 S230 Q234 F237 P242	I224-V228 HydrophobicContact CG2-CG2 4.38Å; I224-V228 WeakPolarHBondContact O-CB 3.38Å; I224-V228 WeakPolarHBondContact O-CG2 3.21Å; I224-V228 PolarHBondContact O-N 3.35Å; E225-V228 PolarHBondContact O-N 2.65Å; V228-S230 VanDerWaalsContact C-N 3.3Å; V228-S230 PolarHBondContact O-N 3.29Å; V228-Q234 PolarHBondContact O-NE2 3.11Å; V228-Q234 VanDerWaalsContact O-NE2 3.07Å; V228-F237 HydrophobicContact CB-CD2 4.47Å; V228-F237 HydrophobicContact CG1-CG 4.48Å; V228-F237 HydrophobicContact CG2-CD1 4.08Å; V228-F237 HydrophobicContact CG2-CD2 4.23Å; V228-F237 HydrophobicContact CG2-CE1 4.06Å; V228-F237 HydrophobicContact CG2-CE2 4.21Å; V228-F237 HydrophobicContact CG2-CG 4.19Å; V228-F237 HydrophobicContact CG2-CZ 4.14Å; V228-P242 HydrophobicContact CG2-CG 4.03Å
229	N	89.2	Confident	89	Confident	109 Å²	109	60.4 Å²	60.4	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-79.4	-10.1	178.7	-66.9	-31.5	0	0	0	113.5	E225	E225-N229 WeakPolarHBondContact O-CB 3.32Å; E225-N229 VanDerWaalsContact O-CG 3.29Å; E225-N229 PolarHBondContact O-N 2.88Å; E225-N229 PolarHBondContact O-ND2 2.73Å; E225-N229 VanDerWaalsContact O-ND2 3.14Å
230	S	89.1	Confident	88.8	Confident	32 Å²	32	60.7 Å²	60.7	22%	0.224	29%	0.29	C	S	.	.			trans	-73.5	126.3	-179.7	-179.7	0	0	0	0	112.3	T226 M227 V228 H232 Y233 Q234	T226-S230 WeakPolarHBondContact O-CB 3.21Å; T226-S230 PolarHBondContact O-N 2.75Å; T226-S230 VanDerWaalsContact O-N 3.07Å; M227-S230 PolarHBondContact O-N 3.4Å; V228-S230 VanDerWaalsContact C-N 3.3Å; V228-S230 PolarHBondContact O-N 3.29Å; S230-H232 PolarHBondContact O-N 2.77Å; S230-H232 PolarHBondContact OG-N 3.07Å; S230-Y233 PolarHBondContact O-N 3.4Å; S230-Q234 PolarHBondContact O-N 2.81Å
231	M	84.8	Confident	88.7	Confident	160 Å²	160	64.3 Å²	64.3	79%	0.788	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-57.8	-30.8	176.4	-65.9	-59.9	177.5	0	0	112.9	Y233 Q234	M231-Y233 PolarHBondContact O-N 2.8Å; M231-Q234 PolarHBondContact O-N 3.43Å; M231-Q234 HydrophobicContact SD-CG 4.12Å
232	H	84.8	Confident	88.7	Confident	156 Å²	156	63.6 Å²	63.6	72%	0.722	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62	-23	176	-66.7	-85.8	0	0	0	113.6	S230	S230-H232 PolarHBondContact O-N 2.77Å; S230-H232 PolarHBondContact OG-N 3.07Å
233	Y	87.2	Confident	88.9	Confident	41 Å²	41	60.9 Å²	60.9	16%	0.161	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-114.7	5.4	-176.1	-57.5	-45.2	0	0	0	114	M227 S230 M231 K235 Y236 F237 L265 E266	M227-Y233 HydrophobicContact CG-CD2 3.86Å; M227-Y233 HydrophobicContact CG-CE2 4.33Å; S230-Y233 PolarHBondContact O-N 3.4Å; M231-Y233 PolarHBondContact O-N 2.8Å; Y233-K235 PolarHBondContact O-N 3.35Å; Y233-K235 VanDerWaalsContact O-N 3.15Å; Y233-Y236 HydrophobicContact CD1-CD2 4.12Å; Y233-Y236 HydrophobicContact CD1-CE2 4.1Å; Y233-Y236 PolarHBondContact O-N 3.3Å; Y233-F237 VanDerWaalsContact O-CD2 3.32Å; Y233-F237 WeakPolarHBondContact O-CD2 3.39Å; Y233-F237 PolarHBondContact O-N 3.03Å; Y233-L265 HydrophobicContact CD1-CD1 4.41Å; Y233-L265 HydrophobicContact CD1-CD2 3.98Å; Y233-L265 HydrophobicContact CE1-CB 4.28Å; Y233-L265 HydrophobicContact CE1-CD2 3.76Å; Y233-L265 HydrophobicContact CE1-CG 4.44Å; Y233-L265 HydrophobicContact CE2-CB 4.43Å; Y233-L265 HydrophobicContact CG-CD1 4.48Å; Y233-E266 WeakPolarHBondContact CE2-O 3.36Å; Y233-E266 PolarHBondContact OH-N 2.82Å; Y233-E266 VanDerWaalsContact OH-N 3.1Å; Y233-E266 PolarHBondContact OH-O 3.46Å
234	Q	84.3	Confident	89	Confident	47 Å²	47	61 Å²	61	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-25.2	173.8	-75.4	-61.3	-21.2	0	0	113.4	V228 S230 M231 Y236 F237 Y238	V228-Q234 PolarHBondContact O-NE2 3.11Å; V228-Q234 VanDerWaalsContact O-NE2 3.07Å; S230-Q234 PolarHBondContact O-N 2.81Å; M231-Q234 PolarHBondContact O-N 3.43Å; M231-Q234 HydrophobicContact SD-CG 4.12Å; Q234-Y236 PolarHBondContact O-N 3.02Å; Q234-F237 PolarHBondContact O-N 3.21Å; Q234-Y238 PolarHBondContact O-N 3.42Å
235	K	86	Confident	89	Confident	123 Å²	123	61.8 Å²	61.8	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-17.3	170.3	68.5	165.3	-173.6	163.4	0	114.6	Y233 Y238 P257	Y233-K235 PolarHBondContact O-N 3.35Å; Y233-K235 VanDerWaalsContact O-N 3.15Å; K235-Y238 WeakPolarHBondContact O-CE2 3.44Å; K235-P257 WeakPolarHBondContact O-CG 3.47Å
236	Y	86.3	Confident	89.1	Confident	47 Å²	47	57.9 Å²	57.9	18%	0.184	28%	0.277	C	S	.	.	H	α-helix	trans	-99.6	-35.6	172.8	-59.6	-58.7	0	0	0	111.7	Y233 Q234 L256 P257 I258 L265	Y233-Y236 HydrophobicContact CD1-CD2 4.12Å; Y233-Y236 HydrophobicContact CD1-CE2 4.1Å; Y233-Y236 PolarHBondContact O-N 3.3Å; Q234-Y236 PolarHBondContact O-N 3.02Å; Y236-L256 WeakPolarHBondContact O-CD2 3.2Å; Y236-P257 WeakPolarHBondContact O-CD 3.41Å; Y236-I258 HydrophobicContact CD1-CG2 3.76Å; Y236-I258 HydrophobicContact CE1-CG2 4.17Å; Y236-L265 HydrophobicContact CD2-CD1 4.24Å; Y236-L265 HydrophobicContact CD2-CD2 4.01Å; Y236-L265 HydrophobicContact CE2-CD1 4.43Å; Y236-L265 HydrophobicContact CE2-CD2 3.39Å
237	F	87	Confident	89.2	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-96.2	-21.7	-172	-61.4	-63.4	0	0	0	114.9	M227 V228 Y233 Q234 N239 Q240 P242 L256 I282	M227-F237 HydrophobicContact CE-CE2 4.29Å; M227-F237 HydrophobicContact CE-CZ 3.74Å; M227-F237 HydrophobicContact CG-CE2 4.17Å; M227-F237 HydrophobicContact SD-CZ 4.49Å; V228-F237 HydrophobicContact CB-CD2 4.47Å; V228-F237 HydrophobicContact CG1-CG 4.48Å; V228-F237 HydrophobicContact CG2-CD1 4.08Å; V228-F237 HydrophobicContact CG2-CD2 4.23Å; V228-F237 HydrophobicContact CG2-CE1 4.06Å; V228-F237 HydrophobicContact CG2-CE2 4.21Å; V228-F237 HydrophobicContact CG2-CG 4.19Å; V228-F237 HydrophobicContact CG2-CZ 4.14Å; Y233-F237 VanDerWaalsContact O-CD2 3.32Å; Y233-F237 WeakPolarHBondContact O-CD2 3.39Å; Y233-F237 PolarHBondContact O-N 3.03Å; Q234-F237 PolarHBondContact O-N 3.21Å; F237-N239 VanDerWaalsContact C-N 3.3Å; F237-N239 PolarHBondContact O-N 3.06Å; F237-N239 VanDerWaalsContact O-N 3.1Å; F237-Q240 WeakPolarHBondContact O-CA 3.03Å; F237-Q240 WeakPolarHBondContact O-CB 3.26Å; F237-Q240 VanDerWaalsContact O-CG 3.3Å; F237-Q240 WeakPolarHBondContact O-CG 3.22Å; F237-Q240 PolarHBondContact O-N 3.4Å; F237-P242 HydrophobicContact CD1-CG 3.76Å; F237-P242 HydrophobicContact CE1-CG 4.08Å; F237-L256 HydrophobicContact CD1-CD2 3.91Å; F237-L256 HydrophobicContact CE1-CD1 4.19Å; F237-L256 HydrophobicContact CE1-CD2 4.27Å; F237-I282 HydrophobicContact CZ-CD1 4.02Å
238	Y	79.4	Confident	89.2	Confident	156 Å²	156	66.3 Å²	66.3	61%	0.612	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.9	49.6	172.6	-72.3	-58.8	0	0	0	114.6	Q234 K235 Q240 P257	Q234-Y238 PolarHBondContact O-N 3.42Å; K235-Y238 WeakPolarHBondContact O-CE2 3.44Å; Y238-Q240 PolarHBondContact O-N 2.99Å; Y238-P257 HydrophobicContact CD2-CG 3.9Å; Y238-P257 HydrophobicContact CE2-CB 4.03Å; Y238-P257 HydrophobicContact CE2-CG 3.68Å
239	N	79.5	Confident	89.5	Confident	129 Å²	129	68 Å²	68	69%	0.69	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	4.7	-174.5	-65.8	-31.7	0	0	0	116.8	F237 M546	F237-N239 VanDerWaalsContact C-N 3.3Å; F237-N239 PolarHBondContact O-N 3.06Å; F237-N239 VanDerWaalsContact O-N 3.1Å; N239-M546 WeakPolarHBondContact O-CE 3.13Å
240	Q	87.8	Confident	89.8	Confident	27 Å²	27	62.8 Å²	62.8	13%	0.126	28%	0.284	C	S	.	.			trans	-60.1	156.5	164.7	-57.7	-170.8	32.8	0	0	110.1	F237 Y238 P242 T252 E254 P255	F237-Q240 WeakPolarHBondContact O-CA 3.03Å; F237-Q240 WeakPolarHBondContact O-CB 3.26Å; F237-Q240 VanDerWaalsContact O-CG 3.3Å; F237-Q240 WeakPolarHBondContact O-CG 3.22Å; F237-Q240 PolarHBondContact O-N 3.4Å; Y238-Q240 PolarHBondContact O-N 2.99Å; Q240-P242 WeakPolarHBondContact O-CD 3.4Å; Q240-T252 VanDerWaalsContact OE1-CB 3.3Å; Q240-E254 PolarHBondContact OE1-O 3.25Å; Q240-E254 VanDerWaalsContact OE1-O 3.1Å; Q240-P255 PolarHBondContact NE2-O 3.34Å; Q240-P255 VanDerWaalsContact NE2-O 3.08Å
241	K	92.2	Very high	90.2	Very high	88 Å²	88	61.6 Å²	61.6	38%	0.383	27%	0.274	S	S	.	.			trans	-122	74.9	179.4	-61.9	-173.1	178.2	-175.4	0	111	P542 H543 M546	K241-P542 HydrophobicContact CD-CB 4.1Å; K241-H543 PolarHBondContact O-ND1 3.35Å; K241-M546 HydrophobicContact CB-CB 4.3Å; K241-M546 HydrophobicContact CB-CG 4.12Å; K241-M546 HydrophobicContact CG-CE 4.28Å
242	P	95.1	Very high	90.7	Very high	6 Å²	6	54 Å²	54	4%	0.039	24%	0.237	C	C	.	.			trans	-51.9	144.1	-179.9	-23.4	31.6	0	0	0	112.1	V228 F237 Q240 M250 Y251 T252	V228-P242 HydrophobicContact CG2-CG 4.03Å; F237-P242 HydrophobicContact CD1-CG 3.76Å; F237-P242 HydrophobicContact CE1-CG 4.08Å; Q240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-M250 HydrophobicContact CB-CG 3.85Å; P242-M250 HydrophobicContact CB-SD 3.69Å; P242-M250 HydrophobicContact CG-SD 4.41Å; P242-Y251 WeakPolarHBondContact CA-O 3.5Å; P242-T252 HydrophobicContact CB-CG2 3.9Å; P242-T252 HydrophobicContact CG-CG2 3.83Å
243	V	96.6	Very high	91.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.7	172.8	-62.3	0	0	0	0	110.4	M250 Y251 V314 I315 H318 H543 F547	V243-M250 CarbonylContact O-C 3.34Å; V243-M250 VanDerWaalsContact O-CA 3.24Å; V243-M250 WeakPolarHBondContact O-CA 3.34Å; V243-M250 WeakPolarHBondContact O-CG 3.33Å; V243-Y251 HydrophobicContact CG2-CD2 4.34Å; V243-Y251 PolarHBondContact N-O 3.02Å; V243-Y251 PolarHBondContact O-N 3.03Å; V243-V314 HydrophobicContact CG2-CG1 4.21Å; V243-I315 HydrophobicContact CG2-CB 4.26Å; V243-I315 HydrophobicContact CG2-CG1 3.54Å; V243-H318 HydrophobicContact CB-CB 3.9Å; V243-H318 HydrophobicContact CG1-CB 3.75Å; V243-H543 HydrophobicContact CG1-CB 3.96Å; V243-F547 HydrophobicContact CG1-CD2 4.5Å; V243-F547 HydrophobicContact CG1-CE2 3.9Å; V243-F547 HydrophobicContact CG1-CZ 4.35Å; V243-F547 HydrophobicContact CG2-CE1 4.41Å; V243-F547 HydrophobicContact CG2-CE2 4.21Å; V243-F547 HydrophobicContact CG2-CZ 3.79Å
244	F	96.5	Very high	91.3	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.1	-173.7	-175.9	-133.8	0	0	0	112.6	V208 I210 N220 R221 I224 G246 N249 M250 H318	V208-F244 HydrophobicContact CB-CE2 4.03Å; V208-F244 HydrophobicContact CG1-CE2 4.19Å; V208-F244 HydrophobicContact CG1-CZ 4.36Å; V208-F244 HydrophobicContact CG2-CE2 4.49Å; I210-F244 HydrophobicContact CD1-CE1 4.24Å; I210-F244 HydrophobicContact CD1-CZ 4.12Å; N220-F244 HydrophobicContact CB-CE1 4Å; N220-F244 WeakPolarHBondContact O-CE1 3.37Å; R221-F244 HydrophobicContact CG-CD1 4.3Å; R221-F244 PolarHBondContact NH1-O 3.05Å; R221-F244 PolarHBondContact NH2-O 3.42Å; I224-F244 HydrophobicContact CB-CD1 4.05Å; I224-F244 HydrophobicContact CB-CE1 4.43Å; I224-F244 HydrophobicContact CG1-CD1 3.69Å; I224-F244 HydrophobicContact CG1-CE1 3.6Å; I224-F244 HydrophobicContact CG1-CG 4.26Å; I224-F244 HydrophobicContact CG1-CZ 4.12Å; I224-F244 HydrophobicContact CG2-CB 4.36Å; I224-F244 HydrophobicContact CG2-CD1 4.44Å; I224-F244 HydrophobicContact CG2-CG 4.46Å; F244-G246 VanDerWaalsContact C-N 3.34Å; F244-N249 WeakPolarHBondContact CA-O 3.44Å; F244-N249 VanDerWaalsContact CD2-O 3.31Å; F244-N249 WeakPolarHBondContact CD2-O 3.45Å; F244-M250 HydrophobicContact CD2-CB 4.11Å; F244-H318 PolarHBondContact N-CE1 3.32Å; F244-H318 PolarHBondContact N-ND1 3.12Å; F244-H318 PolarHBondContact O-ND1 3.46Å
245	D	94.4	Very high	91.7	Very high	23 Å²	23	52.9 Å²	52.9	12%	0.123	24%	0.237	C	C	.	.			trans	-80.6	-11	176.5	86.2	-31.3	0	0	0	114	R221 R247 R248 N249 V314	R221-D245 PolarHBondContact NH2-O 3.42Å; D245-R247 WeakPolarHBondContact OD1-CA 3.24Å; D245-R247 PolarHBondContact OD1-N 3.24Å; D245-R248 PolarHBondContact OD1-N 3.45Å; D245-N249 HydrophobicContact CB-CB 4.11Å; D245-N249 PolarHBondContact N-O 3.49Å; D245-N249 PolarHBondContact OD1-N 3.1Å; D245-N249 PolarHBondContact OD2-ND2 3.29Å; D245-V314 HydrophobicContact CB-CG1 4.24Å; D245-V314 HydrophobicContact CB-CG2 3.87Å
246	G	94	Very high	91.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	85.2	9.7	-176.7	0	0	0	0	0	113.9	R217 N220 F244	R217-G246 WeakPolarHBondContact CA-O 3.14Å; R217-G246 WeakPolarHBondContact CG-O 3.5Å; N220-G246 WeakPolarHBondContact CB-O 3.3Å; N220-G246 PolarHBondContact ND2-O 3.44Å; F244-G246 VanDerWaalsContact C-N 3.34Å
247	R	93.3	Very high	92.1	Very high	122 Å²	122	48.4 Å²	48.4	46%	0.46	23%	0.226	S	C	.	.	S	Bend	trans	-128.3	-70.3	175.5	-74.5	-178.3	169.1	177.1	-6.1	111.8	R217 D245	R217-R247 HydrophobicContact CG-CG 4.25Å; D245-R247 WeakPolarHBondContact OD1-CA 3.24Å; D245-R247 PolarHBondContact OD1-N 3.24Å
248	R	94.8	Very high	91.9	Very high	109 Å²	109	49.9 Å²	49.9	41%	0.411	23%	0.233	S	C	.	.	S	Bend	trans	-151	-17.9	-170.3	-68.1	-156.9	179.3	-176.5	-0.7	114.6	D207 V208 E213 D245	D207-R248 CarbonylContact C-O 3.53Å; D207-R248 WeakPolarHBondContact CA-O 3.46Å; D207-R248 WeakPolarHBondContact OD1-CD 3.44Å; V208-R248 PolarHBondContact N-O 3.21Å; V208-R248 WeakPolarHBondContact O-CA 3.36Å; V208-R248 WeakPolarHBondContact O-CG 3.39Å; E213-R248 IonicContact OE1-CZ 3.56Å; E213-R248 IonicContact OE1-NH2 3.94Å; E213-R248 PolarHBondContact OE1-NH2 2.89Å; D245-R248 PolarHBondContact OD1-N 3.45Å
249	N	96.4	Very high	91.6	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109.3	-175	-57.7	-75.2	0	0	0	110	H205 F244 D245 Y251	H205-N249 PolarHBondContact NE2-OD1 3.03Å; F244-N249 WeakPolarHBondContact CA-O 3.44Å; F244-N249 VanDerWaalsContact CD2-O 3.31Å; F244-N249 WeakPolarHBondContact CD2-O 3.45Å; D245-N249 HydrophobicContact CB-CB 4.11Å; D245-N249 PolarHBondContact N-O 3.49Å; D245-N249 PolarHBondContact OD1-N 3.1Å; D245-N249 PolarHBondContact OD2-ND2 3.29Å; N249-Y251 HydrophobicContact CB-CE2 3.99Å
250	M	96.9	Very high	91.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.6	169.7	-172.6	178.4	72.2	0	0	110	Y206 V208 I224 P242 V243 F244 L256 I282	Y206-M250 HydrophobicContact CD2-CE 4.09Å; Y206-M250 HydrophobicContact CG-CE 4.12Å; Y206-M250 PolarHBondContact N-O 3.07Å; Y206-M250 PolarHBondContact O-N 3.04Å; V208-M250 HydrophobicContact CG2-CB 3.59Å; V208-M250 HydrophobicContact CG2-CE 4.33Å; V208-M250 HydrophobicContact CG2-SD 4.37Å; I224-M250 HydrophobicContact CG2-SD 4.34Å; P242-M250 HydrophobicContact CB-CG 3.85Å; P242-M250 HydrophobicContact CB-SD 3.69Å; P242-M250 HydrophobicContact CG-SD 4.41Å; V243-M250 CarbonylContact O-C 3.34Å; V243-M250 VanDerWaalsContact O-CA 3.24Å; V243-M250 WeakPolarHBondContact O-CA 3.34Å; V243-M250 WeakPolarHBondContact O-CG 3.33Å; F244-M250 HydrophobicContact CD2-CB 4.11Å; M250-L256 HydrophobicContact CE-CD1 3.77Å; M250-I282 HydrophobicContact CE-CD1 4.3Å; M250-I282 HydrophobicContact CE-CG2 3.84Å
251	Y	96.7	Very high	91	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.6	175.8	-55.3	-88.6	0	0	0	110.9	H204 H205 P242 V243 N249 V288 V314	H204-Y251 VanDerWaalsContact O-CA 3.24Å; H204-Y251 WeakPolarHBondContact O-CA 3.34Å; H205-Y251 HydrophobicContact CB-CD1 3.85Å; H205-Y251 HydrophobicContact CB-CE1 3.7Å; H205-Y251 AromaticContact CD2-CD1 3.89Å; H205-Y251 AromaticContact CD2-CE1 3.34Å; H205-Y251 WeakPolarHBondContact CD2-CE1 3.49Å; H205-Y251 AromaticContact CD2-CZ 3.62Å; H205-Y251 AromaticContact CG-CE1 3.63Å; P242-Y251 WeakPolarHBondContact CA-O 3.5Å; V243-Y251 HydrophobicContact CG2-CD2 4.34Å; V243-Y251 PolarHBondContact N-O 3.02Å; V243-Y251 PolarHBondContact O-N 3.03Å; N249-Y251 HydrophobicContact CB-CE2 3.99Å; Y251-V288 HydrophobicContact CE1-CG2 4.44Å; Y251-V314 HydrophobicContact CD2-CB 4.25Å; Y251-V314 HydrophobicContact CD2-CG1 3.94Å; Y251-V314 HydrophobicContact CE2-CB 4.02Å; Y251-V314 HydrophobicContact CE2-CG1 4.03Å; Y251-V314 HydrophobicContact CE2-CG2 4.16Å
252	T	95.7	Very high	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	159.6	168.3	62.4	0	0	0	0	111.2	H204 Y206 Q240 P242 E254 L256	H204-T252 PolarHBondContact N-O 2.95Å; H204-T252 PolarHBondContact O-N 3.49Å; Y206-T252 HydrophobicContact CE2-CG2 3.98Å; Y206-T252 VanDerWaalsContact CE2-OG1 3.31Å; Y206-T252 WeakPolarHBondContact CE2-OG1 3.29Å; Y206-T252 PolarHBondContact OH-OG1 3.34Å; Q240-T252 VanDerWaalsContact OE1-CB 3.3Å; P242-T252 HydrophobicContact CB-CG2 3.9Å; P242-T252 HydrophobicContact CG-CG2 3.83Å; T252-E254 VanDerWaalsContact CB-O 3.3Å; T252-E254 WeakPolarHBondContact CB-O 3.16Å; T252-E254 PolarHBondContact OG1-O 2.88Å; T252-L256 HydrophobicContact CG2-CD1 4.05Å; T252-L256 HydrophobicContact CG2-CD2 3.89Å; T252-L256 HydrophobicContact CG2-CG 3.87Å
253	R	93.2	Very high	90.5	Very high	56 Å²	56	55.6 Å²	55.6	21%	0.211	27%	0.266	C	S	.	.	S	Bend	trans	-79.8	-40.2	175.6	178.4	55.5	-170.1	72.5	8.3	112.2	F547	R253-F547 HydrophobicContact CB-CD1 4.26Å; R253-F547 HydrophobicContact CB-CE1 4.43Å; R253-F547 HydrophobicContact CB-CG 4.35Å
254	E	91.7	Very high	90.4	Very high	95 Å²	95	59.5 Å²	59.5	44%	0.444	29%	0.285	S	S	.	.	S	Bend	trans	-111.6	158.7	175.8	-63.4	-54.1	136.7	0	0	109.4	H204 Q240 T252	H204-E254 VanDerWaalsContact CD2-C 3.46Å; Q240-E254 PolarHBondContact OE1-O 3.25Å; Q240-E254 VanDerWaalsContact OE1-O 3.1Å; T252-E254 VanDerWaalsContact CB-O 3.3Å; T252-E254 WeakPolarHBondContact CB-O 3.16Å; T252-E254 PolarHBondContact OG1-O 2.88Å
255	P	91.6	Very high	90.2	Very high	70 Å²	70	60 Å²	60	46%	0.455	29%	0.287	S	S	.	.			trans	-64	146.6	-180	25.6	-33.4	0	0	0	111.3	H204 Q240	H204-P255 WeakPolarHBondContact NE2-CD 3.49Å; Q240-P255 PolarHBondContact NE2-O 3.34Å; Q240-P255 VanDerWaalsContact NE2-O 3.08Å
256	L	91.3	Very high	90.2	Very high	11 Å²	11	64 Å²	64	6%	0.058	31%	0.305	C	S	.	.			trans	-80.7	146.5	168.6	-66.6	176.7	0	0	0	109.3	Y206 Y236 F237 M250 T252 I258	Y206-L256 HydrophobicContact CD1-CD1 4.24Å; Y206-L256 HydrophobicContact CD2-CD1 4.34Å; Y206-L256 HydrophobicContact CE1-CB 4.05Å; Y206-L256 HydrophobicContact CE1-CD1 3.86Å; Y206-L256 HydrophobicContact CE1-CG 4.15Å; Y206-L256 HydrophobicContact CE2-CD1 3.99Å; Y206-L256 HydrophobicContact CE2-CG 4.22Å; Y206-L256 HydrophobicContact CG-CD1 4.48Å; Y206-L256 PolarHBondContact OH-N 2.91Å; Y236-L256 WeakPolarHBondContact O-CD2 3.2Å; F237-L256 HydrophobicContact CD1-CD2 3.91Å; F237-L256 HydrophobicContact CE1-CD1 4.19Å; F237-L256 HydrophobicContact CE1-CD2 4.27Å; M250-L256 HydrophobicContact CE-CD1 3.77Å; T252-L256 HydrophobicContact CG2-CD1 4.05Å; T252-L256 HydrophobicContact CG2-CD2 3.89Å; T252-L256 HydrophobicContact CG2-CG 3.87Å; L256-I258 HydrophobicContact CB-CD1 4.22Å; L256-I258 HydrophobicContact CB-CG1 4.02Å; L256-I258 HydrophobicContact CD1-CD1 4.45Å; L256-I258 PolarHBondContact O-N 2.82Å
257	P	89	Confident	90.1	Very high	65 Å²	65	64.3 Å²	64.3	42%	0.422	31%	0.307	S	S	.	.	S	Bend	trans	-79.5	53.8	-178.3	39	-39.6	0	0	0	110.7	K235 Y236 Y238	K235-P257 WeakPolarHBondContact O-CG 3.47Å; Y236-P257 WeakPolarHBondContact O-CD 3.41Å; Y238-P257 HydrophobicContact CD2-CG 3.9Å; Y238-P257 HydrophobicContact CE2-CB 4.03Å; Y238-P257 HydrophobicContact CE2-CG 3.68Å
258	I	83.5	Confident	90	Very high	31 Å²	31	61.6 Å²	61.6	16%	0.159	30%	0.304	C	S	.	.			trans	-122.1	148.5	179.1	62	178.8	0	0	0	108.9	Y206 Y236 L256 V263 I282	Y206-I258 HydrophobicContact CD1-CD1 3.94Å; Y206-I258 HydrophobicContact CE1-CD1 3.88Å; Y206-I258 HydrophobicContact CE1-CG1 4.38Å; Y236-I258 HydrophobicContact CD1-CG2 3.76Å; Y236-I258 HydrophobicContact CE1-CG2 4.17Å; L256-I258 HydrophobicContact CB-CD1 4.22Å; L256-I258 HydrophobicContact CB-CG1 4.02Å; L256-I258 HydrophobicContact CD1-CD1 4.45Å; L256-I258 PolarHBondContact O-N 2.82Å; I258-V263 HydrophobicContact CB-CG2 3.85Å; I258-V263 HydrophobicContact CG2-CG2 3.84Å; I258-I282 HydrophobicContact CD1-CB 4.5Å; I258-I282 HydrophobicContact CD1-CG2 3.86Å
259	S	73.2	Confident	89.7	Confident	62 Å²	62	57 Å²	57	43%	0.434	29%	0.288	S	S	.	.			trans	-66.8	172.9	174.8	65.4	0	0	0	0	110.9	E261	S259-E261 PolarHBondContact O-N 2.84Å; S259-E261 VanDerWaalsContact O-N 3.11Å; S259-E261 WeakPolarHBondContact OG-CB 3.43Å; S259-E261 PolarHBondContact OG-N 2.95Å
260	K	75.5	Confident	89	Confident	180 Å²	180	60 Å²	60	78%	0.783	31%	0.309	S	S	*	.	S	Bend	trans	-67.9	-2.6	170.6	-65.9	-175.3	177.8	-179.2	0	113.1	K283	K260-K283 WeakPolarHBondContact O-CE 3.48Å
261	E	78.5	Confident	87.7	Confident	146 Å²	146	61.2 Å²	61.2	68%	0.682	32%	0.323	S	S	*	.	S	Bend	trans	-86.7	178.5	176.7	-52.4	-174.2	131.5	0	0	111.3	S259	S259-E261 PolarHBondContact O-N 2.84Å; S259-E261 VanDerWaalsContact O-N 3.11Å; S259-E261 WeakPolarHBondContact OG-CB 3.43Å; S259-E261 PolarHBondContact OG-N 2.95Å
262	K	87.3	Confident	86.1	Confident	113 Å²	113	65.3 Å²	65.3	49%	0.491	34%	0.342	S	S	.	.			trans	-89.2	112.7	-176.9	-179.2	-165.5	-177.4	-163.6	0	109.5	E264 A281	K262-E264 HydrophobicContact CD-CG 4.46Å; K262-E264 WeakPolarHBondContact CE-OE1 3.42Å; K262-E264 IonicContact NZ-OE1 3.17Å; K262-E264 PolarHBondContact NZ-OE1 2.8Å; K262-A281 HydrophobicContact CD-CB 4.17Å; K262-A281 HydrophobicContact CG-CB 3.89Å
263	V	91.4	Very high	84.7	Confident	26 Å²	26	68.8 Å²	68.8	16%	0.158	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.4	169.7	178.6	0	0	0	0	108.8	I258 L265 A281 I282	I258-V263 HydrophobicContact CB-CG2 3.85Å; I258-V263 HydrophobicContact CG2-CG2 3.84Å; V263-L265 HydrophobicContact CG1-CD2 3.84Å; V263-L265 HydrophobicContact CG1-CG 4.18Å; V263-A281 CarbonylContact O-C 3.55Å; V263-A281 WeakPolarHBondContact O-CA 3.37Å; V263-I282 PolarHBondContact N-O 2.96Å; V263-I282 PolarHBondContact O-N 2.99Å
264	E	92.7	Very high	83.9	Confident	82 Å²	82	74.6 Å²	74.6	38%	0.383	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.5	171.4	-57.4	-156.7	173.3	0	0	111	K262 R279 A281	K262-E264 HydrophobicContact CD-CG 4.46Å; K262-E264 WeakPolarHBondContact CE-OE1 3.42Å; K262-E264 IonicContact NZ-OE1 3.17Å; K262-E264 PolarHBondContact NZ-OE1 2.8Å; E264-R279 IonicContact OE1-NH2 3.33Å; E264-R279 IonicContact OE2-CZ 3.18Å; E264-R279 IonicContact OE2-NE 2.78Å; E264-R279 PolarHBondContact OE2-NE 2.79Å; E264-R279 IonicContact OE2-NH2 3.08Å; E264-R279 PolarHBondContact OE2-NH2 3.19Å; E264-A281 HydrophobicContact CG-CB 3.88Å
265	L	93	Very high	83.5	Confident	10 Å²	10	75.3 Å²	75.3	5%	0.052	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.4	-176.9	-55	178	0	0	0	109.3	M227 Y233 Y236 V263 V280 I282	M227-L265 HydrophobicContact CG-CD1 4.29Å; M227-L265 HydrophobicContact SD-CB 4.41Å; M227-L265 HydrophobicContact SD-CD1 3.75Å; Y233-L265 HydrophobicContact CD1-CD1 4.41Å; Y233-L265 HydrophobicContact CD1-CD2 3.98Å; Y233-L265 HydrophobicContact CE1-CB 4.28Å; Y233-L265 HydrophobicContact CE1-CD2 3.76Å; Y233-L265 HydrophobicContact CE1-CG 4.44Å; Y233-L265 HydrophobicContact CE2-CB 4.43Å; Y233-L265 HydrophobicContact CG-CD1 4.48Å; Y236-L265 HydrophobicContact CD2-CD1 4.24Å; Y236-L265 HydrophobicContact CD2-CD2 4.01Å; Y236-L265 HydrophobicContact CE2-CD1 4.43Å; Y236-L265 HydrophobicContact CE2-CD2 3.39Å; V263-L265 HydrophobicContact CG1-CD2 3.84Å; V263-L265 HydrophobicContact CG1-CG 4.18Å; L265-V280 PolarHBondContact N-O 2.92Å; L265-V280 PolarHBondContact O-N 3.21Å; L265-V280 VanDerWaalsContact O-O 3.1Å; L265-I282 HydrophobicContact CD1-CD1 3.94Å
266	E	93.9	Very high	83.4	Confident	108 Å²	108	76.8 Å²	76.8	51%	0.505	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.1	176.5	-170.9	160.6	106.6	0	0	111	Y233 V277 F278	Y233-E266 WeakPolarHBondContact CE2-O 3.36Å; Y233-E266 PolarHBondContact OH-N 2.82Å; Y233-E266 VanDerWaalsContact OH-N 3.1Å; Y233-E266 PolarHBondContact OH-O 3.46Å; E266-V277 HydrophobicContact CG-CG1 3.39Å; E266-V277 WeakPolarHBondContact OE1-CG1 3.17Å; E266-F278 WeakPolarHBondContact CA-O 3.33Å
267	V	92.6	Very high	83.4	Confident	6 Å²	6	80 Å²	80	4%	0.036	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.6	-175.1	-173.5	0	0	0	0	108.9	I223 T226 M227 F278 V280	I223-V267 HydrophobicContact CG2-CB 4.16Å; I223-V267 HydrophobicContact CG2-CG1 4.07Å; I223-V267 HydrophobicContact CG2-CG2 4.39Å; T226-V267 HydrophobicContact CG2-CG1 4.29Å; M227-V267 HydrophobicContact CB-CG1 4.31Å; M227-V267 HydrophobicContact CB-CG2 3.71Å; M227-V267 HydrophobicContact CG-CG2 3.73Å; M227-V267 HydrophobicContact SD-CG2 4.03Å; V267-F278 PolarHBondContact N-O 2.84Å; V267-F278 WeakPolarHBondContact O-CD2 3.43Å; V267-F278 PolarHBondContact O-N 3.4Å; V267-V280 HydrophobicContact CB-CG2 4.33Å; V267-V280 HydrophobicContact CG2-CB 4.34Å; V267-V280 HydrophobicContact CG2-CG2 3.68Å
268	T	91.1	Very high	83.6	Confident	66 Å²	66	77.2 Å²	77.2	41%	0.405	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.3	177.5	-58.2	0	0	0	0	109.4	D275 V277	T268-D275 HydrophobicContact CG2-CB 3.75Å; T268-V277 HydrophobicContact CG2-CG2 4.46Å
269	L	88.5	Confident	84.2	Confident	13 Å²	13	82.2 Å²	82.2	7%	0.068	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.1	166.8	-67.1	-175.6	0	0	0	110.5	V219 E222 I223 T226 G271 R276 F278	V219-L269 HydrophobicContact CG1-CD1 4.28Å; E222-L269 HydrophobicContact CB-CD1 4.34Å; I223-L269 HydrophobicContact CG1-CD1 3.6Å; I223-L269 HydrophobicContact CG1-CG 4.15Å; T226-L269 HydrophobicContact CG2-CD2 4.01Å; T226-L269 WeakPolarHBondContact OG1-CD2 3.46Å; L269-G271 PolarHBondContact O-N 3.11Å; L269-R276 PolarHBondContact N-O 2.81Å; L269-R276 PolarHBondContact O-N 3.48Å; L269-F278 HydrophobicContact CB-CE2 4.07Å; L269-F278 HydrophobicContact CD1-CE2 3.84Å; L269-F278 HydrophobicContact CD1-CZ 4.44Å; L269-F278 HydrophobicContact CG-CD2 4.35Å; L269-F278 HydrophobicContact CG-CE2 3.89Å
270	P	81.1	Confident	85.3	Confident	111 Å²	111	79.2 Å²	79.2	72%	0.721	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-60.7	138.7	168.6	27.2	-34	0	0	0	110.2	D275	P270-D275 WeakPolarHBondContact CA-OD1 3.49Å
271	G	69.6	Low	86.2	Confident	27 Å²	27	70.9 Å²	70.9	28%	0.278	37%	0.37	S	S	.	.			trans	-125.7	161.8	179.2	0	0	0	0	0	113.1	L269 G273 K274	L269-G271 PolarHBondContact O-N 3.11Å; G271-G273 VanDerWaalsContact C-N 3.27Å; G271-G273 PolarHBondContact O-N 3.19Å; G271-K274 VanDerWaalsContact CA-O 3.28Å; G271-K274 WeakPolarHBondContact CA-O 3.16Å
272	E	63	Low	87	Confident	94 Å²	94	64.2 Å²	64.2	44%	0.439	34%	0.338	S	S	.	.	S	Bend	trans	-68.7	83.8	174.8	-65.8	176.9	-168.2	0	0	109.8	M425 R427 K428	E272-M425 HydrophobicContact CB-CE 4.28Å; E272-M425 HydrophobicContact CB-CG 4.48Å; E272-M425 WeakPolarHBondContact O-CE 3.45Å; E272-R427 WeakPolarHBondContact OE2-CA 3.23Å; E272-R427 PolarHBondContact OE2-N 3.33Å; E272-K428 IonicContact OE1-NZ 2.72Å; E272-K428 PolarHBondContact OE1-NZ 3.1Å
273	G	66.9	Low	87.4	Confident	72 Å²	72	63.8 Å²	63.8	74%	0.742	34%	0.337	S	S	*	.	S	Bend	trans	99	-16.6	174.3	0	0	0	0	0	116.6	G271	G271-G273 VanDerWaalsContact C-N 3.27Å; G271-G273 PolarHBondContact O-N 3.19Å
274	K	75.9	Confident	87.5	Confident	179 Å²	179	64.6 Å²	64.6	78%	0.778	34%	0.339	S	S	*	.	S	Bend	trans	-150.7	140.3	166.3	-79.5	-161.2	174.6	-169.7	0	110	G271	G271-K274 VanDerWaalsContact CA-O 3.28Å; G271-K274 WeakPolarHBondContact CA-O 3.16Å
275	D	84.7	Confident	87.6	Confident	110 Å²	110	64.4 Å²	64.4	59%	0.588	34%	0.343	S	S	*	.			trans	-65.6	153.7	174.8	-66.1	-23.6	0	0	0	112.2	T268 P270	T268-D275 HydrophobicContact CG2-CB 3.75Å; P270-D275 WeakPolarHBondContact CA-OD1 3.49Å
276	R	88.7	Confident	87.6	Confident	101 Å²	101	66 Å²	66	38%	0.381	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	100.7	-171.6	-63.8	173.9	65	-141.4	-0.9	108.6	L269 F278	L269-R276 PolarHBondContact N-O 2.81Å; L269-R276 PolarHBondContact O-N 3.48Å; R276-F278 HydrophobicContact CB-CE2 3.68Å; R276-F278 HydrophobicContact CB-CZ 3.96Å; R276-F278 WeakPolarHBondContact O-CD2 3.29Å; R276-F278 WeakPolarHBondContact O-CE2 3.38Å
277	V	91.2	Very high	87.6	Confident	79 Å²	79	66.2 Å²	66.2	48%	0.479	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	135	175.7	-175	0	0	0	0	109.7	E266 T268	E266-V277 HydrophobicContact CG-CG1 3.39Å; E266-V277 WeakPolarHBondContact OE1-CG1 3.17Å; T268-V277 HydrophobicContact CG2-CG2 4.46Å
278	F	94.3	Very high	87.7	Confident	5 Å²	5	66 Å²	66	2%	0.022	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.4	176.7	-59.5	-88.7	0	0	0	110.2	I210 T211 V219 I223 E266 V267 L269 R276	I210-F278 HydrophobicContact CG2-CD1 4.25Å; T211-F278 WeakPolarHBondContact O-CA 3.22Å; V219-F278 HydrophobicContact CG1-CZ 4.34Å; I223-F278 HydrophobicContact CD1-CB 4.34Å; I223-F278 HydrophobicContact CD1-CD1 3.46Å; I223-F278 VanDerWaalsContact CD1-CD1 3.46Å; I223-F278 HydrophobicContact CD1-CD2 3.8Å; I223-F278 HydrophobicContact CD1-CE1 3.55Å; I223-F278 HydrophobicContact CD1-CE2 3.88Å; I223-F278 HydrophobicContact CD1-CG 3.59Å; I223-F278 HydrophobicContact CD1-CZ 3.75Å; I223-F278 HydrophobicContact CG1-CD1 4.39Å; I223-F278 HydrophobicContact CG1-CD2 3.83Å; I223-F278 HydrophobicContact CG1-CE1 4.48Å; I223-F278 HydrophobicContact CG1-CE2 3.92Å; I223-F278 HydrophobicContact CG1-CG 4.07Å; I223-F278 HydrophobicContact CG1-CZ 4.24Å; I223-F278 HydrophobicContact CG2-CB 4.49Å; E266-F278 WeakPolarHBondContact CA-O 3.33Å; V267-F278 PolarHBondContact N-O 2.84Å; V267-F278 WeakPolarHBondContact O-CD2 3.43Å; V267-F278 PolarHBondContact O-N 3.4Å; L269-F278 HydrophobicContact CB-CE2 4.07Å; L269-F278 HydrophobicContact CD1-CE2 3.84Å; L269-F278 HydrophobicContact CD1-CZ 4.44Å; L269-F278 HydrophobicContact CG-CD2 4.35Å; L269-F278 HydrophobicContact CG-CE2 3.89Å; R276-F278 HydrophobicContact CB-CE2 3.68Å; R276-F278 HydrophobicContact CB-CZ 3.96Å; R276-F278 WeakPolarHBondContact O-CD2 3.29Å; R276-F278 WeakPolarHBondContact O-CE2 3.38Å
279	R	95.3	Very high	87.9	Confident	136 Å²	136	64.2 Å²	64.2	51%	0.513	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.4	165	-79.2	171.1	61.2	-171.8	2	108.7	T211 E264	T211-R279 PolarHBondContact N-O 3.22Å; T211-R279 PolarHBondContact O-N 2.87Å; E264-R279 IonicContact OE1-NH2 3.33Å; E264-R279 IonicContact OE2-CZ 3.18Å; E264-R279 IonicContact OE2-NE 2.78Å; E264-R279 PolarHBondContact OE2-NE 2.79Å; E264-R279 IonicContact OE2-NH2 3.08Å; E264-R279 PolarHBondContact OE2-NH2 3.19Å
280	V	95.9	Very high	88.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.8	173.7	-177.5	0	0	0	0	107.4	V208 I210 I223 I224 M227 L265 V267 I282	V208-V280 HydrophobicContact CG1-CG1 3.88Å; I210-V280 HydrophobicContact CG1-CG1 4.43Å; I210-V280 HydrophobicContact CG1-CG2 4.35Å; I223-V280 HydrophobicContact CG2-CG2 3.5Å; I224-V280 HydrophobicContact CD1-CG1 3.69Å; I224-V280 HydrophobicContact CD1-CG2 4.47Å; M227-V280 HydrophobicContact CE-CG1 4.28Å; M227-V280 HydrophobicContact SD-CB 4.02Å; M227-V280 HydrophobicContact SD-CG1 3.76Å; M227-V280 HydrophobicContact SD-CG2 4.37Å; L265-V280 PolarHBondContact N-O 2.92Å; L265-V280 PolarHBondContact O-N 3.21Å; L265-V280 VanDerWaalsContact O-O 3.1Å; V267-V280 HydrophobicContact CB-CG2 4.33Å; V267-V280 HydrophobicContact CG2-CB 4.34Å; V267-V280 HydrophobicContact CG2-CG2 3.68Å; V280-I282 HydrophobicContact CG1-CG1 4.39Å
281	A	94.8	Very high	88.5	Confident	5 Å²	5	63.3 Å²	63.3	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.8	169.1	0	0	0	0	0	111.1	V208 S209 K262 V263 E264	V208-A281 CarbonylContact C-O 3.48Å; V208-A281 VanDerWaalsContact CA-O 3.26Å; V208-A281 WeakPolarHBondContact CA-O 3.35Å; S209-A281 PolarHBondContact N-O 3.22Å; S209-A281 PolarHBondContact O-N 3.46Å; S209-A281 WeakPolarHBondContact OG-CB 3.47Å; K262-A281 HydrophobicContact CD-CB 4.17Å; K262-A281 HydrophobicContact CG-CB 3.89Å; V263-A281 CarbonylContact O-C 3.55Å; V263-A281 WeakPolarHBondContact O-CA 3.37Å; E264-A281 HydrophobicContact CG-CB 3.88Å
282	I	95.6	Very high	89.5	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.3	-176.6	-51.3	173.8	0	0	0	107.6	Y206 D207 M227 F237 M250 I258 V263 L265 V280	Y206-I282 HydrophobicContact CD1-CG2 3.99Å; Y206-I282 HydrophobicContact CG-CG2 4.17Å; D207-I282 WeakPolarHBondContact O-CA 3.29Å; M227-I282 HydrophobicContact CE-CD1 3.85Å; M227-I282 HydrophobicContact SD-CD1 4.19Å; F237-I282 HydrophobicContact CZ-CD1 4.02Å; M250-I282 HydrophobicContact CE-CD1 4.3Å; M250-I282 HydrophobicContact CE-CG2 3.84Å; I258-I282 HydrophobicContact CD1-CB 4.5Å; I258-I282 HydrophobicContact CD1-CG2 3.86Å; V263-I282 PolarHBondContact N-O 2.96Å; V263-I282 PolarHBondContact O-N 2.99Å; L265-I282 HydrophobicContact CD1-CD1 3.94Å; V280-I282 HydrophobicContact CG1-CG1 4.39Å
283	K	94.9	Very high	90.8	Very high	104 Å²	104	59.1 Å²	59.1	45%	0.452	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.8	173.3	-175	-173.4	173.3	-177.8	0	110.2	Y206 D207 K260	Y206-K283 CarbonylContact C-O 3.57Å; Y206-K283 WeakPolarHBondContact CA-O 3.26Å; Y206-K283 WeakPolarHBondContact CB-O 3.38Å; D207-K283 PolarHBondContact N-O 3.35Å; D207-K283 PolarHBondContact O-N 3.02Å; K260-K283 WeakPolarHBondContact O-CE 3.48Å
284	H	94.8	Very high	91.9	Very high	43 Å²	43	58.8 Å²	58.8	20%	0.199	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	134.1	171.6	-172.6	-77.8	0	0	0	110.9	H204 Y206	H204-H284 AromaticContact ND1-NE2 3.54Å; Y206-H284 HydrophobicContact CD1-CB 4Å; Y206-H284 HydrophobicContact CE1-CB 3.95Å; Y206-H284 AromaticContact CE1-CD2 3.64Å; Y206-H284 AromaticContact CZ-CD2 3.91Å
285	V	93.1	Very high	92.5	Very high	78 Å²	78	54.4 Å²	54.4	47%	0.473	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-61	-177.7	176.5	0	0	0	0	110.6	H205 D207	H205-V285 PolarHBondContact O-N 3.14Å; D207-V285 HydrophobicContact CB-CG2 3.74Å
286	S	93.7	Very high	92.7	Very high	45 Å²	45	49.1 Å²	49.1	32%	0.315	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	166.8	-172.5	58.1	0	0	0	0	112.4	H205	H205-S286 WeakPolarHBondContact CB-O 3.4Å; H205-S286 PolarHBondContact N-O 3.39Å
287	E	94.4	Very high	92.8	Very high	111 Å²	111	44.5 Å²	44.5	52%	0.519	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.4	169.6	-62	-179.3	157.2	0	0	108.6	F202 H204	F202-E287 HydrophobicContact CB-CB 4.39Å; F202-E287 HydrophobicContact CD1-CB 4.13Å; H204-E287 IonicContact CE1-OE1 2.71Å; H204-E287 PolarHBondContact CE1-OE1 3.35Å; H204-E287 VanDerWaalsContact CE1-OE1 3.24Å; H204-E287 IonicContact ND1-OE1 3.74Å
288	V	95.1	Very high	92.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.9	-175.3	175.9	0	0	0	0	108.7	F202 L203 H205 Y251 L290 D307 A308	F202-V288 CarbonylContact C-O 3.36Å; F202-V288 WeakPolarHBondContact CA-O 3.28Å; L203-V288 HydrophobicContact CB-CB 4.36Å; L203-V288 PolarHBondContact N-O 2.9Å; L203-V288 PolarHBondContact O-N 3.25Å; H205-V288 HydrophobicContact CB-CG2 4.28Å; Y251-V288 HydrophobicContact CE1-CG2 4.44Å; V288-L290 PolarHBondContact O-N 2.68Å; V288-D307 HydrophobicContact CG1-CB 4.45Å; V288-D307 HydrophobicContact CG2-CB 4.47Å; V288-A308 VanDerWaalsContact CG1-CA 3.47Å; V288-A308 HydrophobicContact CG1-CB 3.75Å
289	S	94	Very high	92	Very high	28 Å²	28	43.6 Å²	43.6	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.9	-175.1	-178.2	0	0	0	0	112.2	F291 A292	S289-F291 VanDerWaalsContact C-N 3.33Å; S289-F291 PolarHBondContact OG-N 2.91Å; S289-A292 PolarHBondContact OG-N 3.41Å
290	L	92.6	Very high	91.4	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-77	-23.3	171.2	-63.7	177.2	0	0	0	111.9	P199 G201 L203 V288 L293 E294 L312	P199-L290 HydrophobicContact CG-CD1 3.77Å; G201-L290 PolarHBondContact O-N 3Å; L203-L290 HydrophobicContact CD1-CD1 4.16Å; L203-L290 HydrophobicContact CD1-CD2 3.94Å; L203-L290 HydrophobicContact CD1-CG 4.24Å; L203-L290 HydrophobicContact CD2-CD1 4.1Å; L203-L290 HydrophobicContact CG-CD1 3.94Å; L203-L290 HydrophobicContact CG-CD2 4.37Å; L203-L290 HydrophobicContact CG-CG 4.13Å; V288-L290 PolarHBondContact O-N 2.68Å; L290-L293 PolarHBondContact O-N 3.01Å; L290-E294 PolarHBondContact O-N 3Å; L290-L312 HydrophobicContact CD2-CD1 4.48Å; L290-L312 HydrophobicContact CD2-CD2 4.39Å; L290-L312 HydrophobicContact CD2-CG 4.47Å
291	F	90.4	Very high	90.7	Very high	101 Å²	101	48.4 Å²	48.4	44%	0.443	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-46.3	174.6	177.6	-99	0	0	0	111.8	S289 L293 E294 E295	S289-F291 VanDerWaalsContact C-N 3.33Å; S289-F291 PolarHBondContact OG-N 2.91Å; F291-L293 PolarHBondContact O-N 3.36Å; F291-E294 PolarHBondContact O-N 2.97Å; F291-E295 HydrophobicContact CD1-CG 4.4Å; F291-E295 HydrophobicContact CE1-CG 3.83Å; F291-E295 WeakPolarHBondContact CE1-OE2 3.38Å; F291-E295 HydrophobicContact CE2-CG 4.27Å; F291-E295 VanDerWaalsContact CZ-CD 3.44Å; F291-E295 HydrophobicContact CZ-CG 3.75Å; F291-E295 WeakPolarHBondContact CZ-OE1 3.33Å; F291-E295 PolarHBondContact O-N 2.84Å
292	A	89.8	Confident	90	Very high	33 Å²	33	53.1 Å²	53.1	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-29.5	176.7	0	0	0	0	0	112.6	S289 A296 P305	S289-A292 PolarHBondContact OG-N 3.41Å; A292-A296 WeakPolarHBondContact O-CB 3.5Å; A292-A296 PolarHBondContact O-N 3.48Å; A292-P305 HydrophobicContact CB-CG 4.03Å
293	L	91.4	Very high	89.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-73.4	-41.1	172.3	-178.9	62	0	0	0	111.9	M198 L290 F291 E295 A296 L297 I304 A308 V309 L312 M363	M198-L293 HydrophobicContact CE-CD2 4.26Å; M198-L293 HydrophobicContact CE-CG 4.45Å; M198-L293 HydrophobicContact SD-CD2 3.92Å; L290-L293 PolarHBondContact O-N 3.01Å; F291-L293 PolarHBondContact O-N 3.36Å; L293-E295 VanDerWaalsContact C-N 3.35Å; L293-E295 PolarHBondContact O-N 2.99Å; L293-A296 PolarHBondContact O-N 2.76Å; L293-L297 HydrophobicContact CD1-CD1 4.23Å; L293-L297 HydrophobicContact CD1-CG 4.28Å; L293-L297 HydrophobicContact CG-CD1 3.94Å; L293-L297 HydrophobicContact CG-CG 4.47Å; L293-L297 WeakPolarHBondContact O-CB 3.32Å; L293-L297 WeakPolarHBondContact O-CD1 3.27Å; L293-L297 WeakPolarHBondContact O-CG 3.26Å; L293-L297 PolarHBondContact O-N 3.08Å; L293-I304 HydrophobicContact CD1-CG2 3.72Å; L293-A308 HydrophobicContact CB-CB 4.01Å; L293-A308 HydrophobicContact CD2-CB 3.79Å; L293-A308 HydrophobicContact CG-CB 4.36Å; L293-V309 HydrophobicContact CD1-CG2 3.97Å; L293-L312 HydrophobicContact CD2-CD1 3.49Å; L293-L312 VanDerWaalsContact CD2-CD1 3.49Å; L293-M363 HydrophobicContact CD1-SD 4.1Å; L293-M363 HydrophobicContact CD2-CG 4.09Å; L293-M363 HydrophobicContact CD2-SD 3.96Å; L293-M363 HydrophobicContact CG-SD 4.28Å
294	E	89.3	Confident	89.1	Confident	66 Å²	66	54.6 Å²	54.6	31%	0.308	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-41	174.9	-172.1	162	-132.5	0	0	111.6	L290 F291 L297 G298 R362	L290-E294 PolarHBondContact O-N 3Å; F291-E294 PolarHBondContact O-N 2.97Å; E294-L297 PolarHBondContact O-N 2.67Å; E294-G298 PolarHBondContact O-N 2.76Å; E294-R362 IonicContact OE1-NH1 2.74Å; E294-R362 PolarHBondContact OE1-NH1 3.34Å
295	E	89	Confident	89	Confident	86 Å²	86	53.4 Å²	53.4	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-65.7	-40	175.1	-68.5	-162.8	131.6	0	0	113.5	F291 L293 L297 G298 G299 H300	F291-E295 HydrophobicContact CD1-CG 4.4Å; F291-E295 HydrophobicContact CE1-CG 3.83Å; F291-E295 WeakPolarHBondContact CE1-OE2 3.38Å; F291-E295 HydrophobicContact CE2-CG 4.27Å; F291-E295 VanDerWaalsContact CZ-CD 3.44Å; F291-E295 HydrophobicContact CZ-CG 3.75Å; F291-E295 WeakPolarHBondContact CZ-OE1 3.33Å; F291-E295 PolarHBondContact O-N 2.84Å; L293-E295 VanDerWaalsContact C-N 3.35Å; L293-E295 PolarHBondContact O-N 2.99Å; E295-L297 VanDerWaalsContact C-N 3.34Å; E295-G298 PolarHBondContact O-N 3Å; E295-G299 PolarHBondContact O-N 3.02Å; E295-H300 HydrophobicContact CB-CB 4.41Å; E295-H300 PolarHBondContact O-N 2.95Å
296	A	89.4	Confident	88.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-34.9	175.1	0	0	0	0	0	112.5	A292 L293 G299 N301 I304	A292-A296 WeakPolarHBondContact O-CB 3.5Å; A292-A296 PolarHBondContact O-N 3.48Å; L293-A296 PolarHBondContact O-N 2.76Å; A296-G299 PolarHBondContact O-N 3.21Å; A296-G299 VanDerWaalsContact O-N 3.14Å; A296-N301 HydrophobicContact CB-CB 4.39Å; A296-I304 HydrophobicContact CB-CG1 4.46Å
297	L	89.7	Confident	88.7	Confident	4 Å²	4	55 Å²	55	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-72.6	-29.9	175.2	-67.8	164.5	0	0	0	113	M198 L293 E294 E295 G299 P358 S359 W361 M363	M198-L297 HydrophobicContact CE-CD1 3.89Å; L293-L297 HydrophobicContact CD1-CD1 4.23Å; L293-L297 HydrophobicContact CD1-CG 4.28Å; L293-L297 HydrophobicContact CG-CD1 3.94Å; L293-L297 HydrophobicContact CG-CG 4.47Å; L293-L297 WeakPolarHBondContact O-CB 3.32Å; L293-L297 WeakPolarHBondContact O-CD1 3.27Å; L293-L297 WeakPolarHBondContact O-CG 3.26Å; L293-L297 PolarHBondContact O-N 3.08Å; E294-L297 PolarHBondContact O-N 2.67Å; E295-L297 VanDerWaalsContact C-N 3.34Å; L297-G299 PolarHBondContact O-N 3.25Å; L297-P358 HydrophobicContact CD2-CB 3.68Å; L297-S359 VanDerWaalsContact CD2-O 3.25Å; L297-S359 WeakPolarHBondContact CD2-O 3.49Å; L297-W361 WeakPolarHBondContact O-CA 3.46Å; L297-W361 PolarHBondContact O-N 2.93Å; L297-M363 HydrophobicContact CD1-CG 3.65Å; L297-M363 HydrophobicContact CD1-SD 3.71Å; L297-M363 HydrophobicContact CD2-SD 3.81Å; L297-M363 HydrophobicContact CG-SD 4.29Å
298	G	86.5	Confident	88.6	Confident	29 Å²	29	49.7 Å²	49.7	30%	0.299	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-11.8	167.3	0	0	0	0	0	113.9	E294 E295	E294-G298 PolarHBondContact O-N 2.76Å; E295-G298 PolarHBondContact O-N 3Å
299	G	82.4	Confident	88.5	Confident	36 Å²	36	50.7 Å²	50.7	37%	0.371	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	7.9	-179.5	0	0	0	0	0	114.7	E295 A296 L297 N301	E295-G299 PolarHBondContact O-N 3.02Å; A296-G299 PolarHBondContact O-N 3.21Å; A296-G299 VanDerWaalsContact O-N 3.14Å; L297-G299 PolarHBondContact O-N 3.25Å; G299-N301 VanDerWaalsContact C-N 3.29Å; G299-N301 PolarHBondContact O-N 3.37Å
300	H	82.5	Confident	88.4	Confident	155 Å²	155	51.8 Å²	51.8	72%	0.718	27%	0.271	S	S	*	.	S	Bend	trans	-70	-28.2	177.7	-58.6	-71	0	0	0	112.3	E295	E295-H300 HydrophobicContact CB-CB 4.41Å; E295-H300 PolarHBondContact O-N 2.95Å
301	N	81.5	Confident	88.5	Confident	82 Å²	82	51.6 Å²	51.6	44%	0.439	27%	0.27	S	S	.	.			trans	-119.5	137.2	172.1	-168	-17.8	0	0	0	110	A296 G299 H303	A296-N301 HydrophobicContact CB-CB 4.39Å; G299-N301 VanDerWaalsContact C-N 3.29Å; G299-N301 PolarHBondContact O-N 3.37Å; N301-H303 PolarHBondContact OD1-N 2.86Å
302	R	79.9	Confident	88.7	Confident	104 Å²	104	46.8 Å²	46.8	39%	0.392	25%	0.249	S	C	.	.	S	Bend	trans	-74.8	-30.5	176	-65.7	-171.5	69.1	-130.8	-6.1	112.7	E173 P174 T894	E173-R302 IonicContact OE2-CZ 3.15Å; E173-R302 IonicContact OE2-NH1 3.01Å; E173-R302 PolarHBondContact OE2-NH1 2.8Å; P174-R302 PolarHBondContact O-NH2 2.95Å; R302-T894 PolarHBondContact O-OG1 2.98Å
303	H	84.9	Confident	88.9	Confident	126 Å²	126	46.7 Å²	46.7	58%	0.583	24%	0.244	S	C	*	.	S	Bend	trans	-88	127.4	-179.8	-168.3	87.6	0	0	0	111.1	N301	N301-H303 PolarHBondContact OD1-N 2.86Å
304	I	87.7	Confident	89.1	Confident	13 Å²	13	47.4 Å²	47.4	7%	0.067	25%	0.248	C	C	.	.			trans	-90	126.4	175.8	-56.5	-169.8	0	0	0	109.6	L293 A296 N306 V309 P358 H892 P893	L293-I304 HydrophobicContact CD1-CG2 3.72Å; A296-I304 HydrophobicContact CB-CG1 4.46Å; I304-N306 PolarHBondContact O-N 2.93Å; I304-N306 PolarHBondContact O-ND2 2.79Å; I304-V309 HydrophobicContact CG2-CG2 3.76Å; I304-P358 HydrophobicContact CD1-CB 3.65Å; I304-P358 HydrophobicContact CD1-CG 3.66Å; I304-P358 HydrophobicContact CG2-CB 4.38Å; I304-P358 HydrophobicContact CG2-CG 4.45Å; I304-H892 VanDerWaalsContact CD1-CE1 3.5Å; I304-H892 WeakPolarHBondContact CD1-CE1 3.27Å; I304-H892 WeakPolarHBondContact CD1-NE2 3.36Å; I304-P893 HydrophobicContact CD1-CG 3.66Å; I304-P893 HydrophobicContact CG1-CG 4.47Å
305	P	91.3	Very high	89.4	Confident	19 Å²	19	44.3 Å²	44.3	12%	0.123	23%	0.234	C	C	.	.			trans	-59.9	100.8	173.7	-24.7	35.5	0	0	0	111.8	A292 D307 A308 V309	A292-P305 HydrophobicContact CB-CG 4.03Å; P305-D307 VanDerWaalsContact C-N 3.31Å; P305-D307 VanDerWaalsContact C-OD1 3.3Å; P305-D307 WeakPolarHBondContact CB-OD1 3.5Å; P305-D307 PolarHBondContact O-N 3.06Å; P305-A308 HydrophobicContact CB-CB 3.99Å; P305-A308 PolarHBondContact O-N 3.3Å; P305-V309 PolarHBondContact O-N 3.43Å; P305-V309 VanDerWaalsContact O-N 3.14Å
306	N	88.9	Confident	89.7	Confident	84 Å²	84	40.2 Å²	40.2	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-69.1	-31.2	-173.9	-84.8	-94	0	0	0	112.1	I304 V309 I310	I304-N306 PolarHBondContact O-N 2.93Å; I304-N306 PolarHBondContact O-ND2 2.79Å; N306-V309 PolarHBondContact O-N 3.28Å; N306-I310 WeakPolarHBondContact O-CB 3.5Å; N306-I310 WeakPolarHBondContact O-CD1 3.22Å; N306-I310 WeakPolarHBondContact O-CG1 3.3Å; N306-I310 PolarHBondContact O-N 2.81Å
307	D	91.4	Very high	89.9	Confident	71 Å²	71	41.5 Å²	41.5	38%	0.38	22%	0.22	S	C	.	.	H	α-helix	trans	-59.9	-43.7	170.8	61.6	-36.8	0	0	0	112.2	V288 P305 I310 S311	V288-D307 HydrophobicContact CG1-CB 4.45Å; V288-D307 HydrophobicContact CG2-CB 4.47Å; P305-D307 VanDerWaalsContact C-N 3.31Å; P305-D307 VanDerWaalsContact C-OD1 3.3Å; P305-D307 WeakPolarHBondContact CB-OD1 3.5Å; P305-D307 PolarHBondContact O-N 3.06Å; D307-I310 PolarHBondContact O-N 3.01Å; D307-S311 WeakPolarHBondContact O-CB 3.32Å; D307-S311 PolarHBondContact O-N 3.49Å; D307-S311 PolarHBondContact O-OG 2.91Å
308	A	93.1	Very high	90.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-38.7	175.1	0	0	0	0	0	112.4	V288 L293 P305 S311 L312	V288-A308 VanDerWaalsContact CG1-CA 3.47Å; V288-A308 HydrophobicContact CG1-CB 3.75Å; L293-A308 HydrophobicContact CB-CB 4.01Å; L293-A308 HydrophobicContact CD2-CB 3.79Å; L293-A308 HydrophobicContact CG-CB 4.36Å; P305-A308 HydrophobicContact CB-CB 3.99Å; P305-A308 PolarHBondContact O-N 3.3Å; A308-S311 PolarHBondContact O-OG 3.06Å; A308-S311 VanDerWaalsContact O-OG 3.05Å; A308-L312 WeakPolarHBondContact O-CB 3.49Å; A308-L312 WeakPolarHBondContact O-CD1 3.17Å; A308-L312 WeakPolarHBondContact O-CG 3.39Å; A308-L312 PolarHBondContact O-N 3.48Å; A308-L312 VanDerWaalsContact O-N 3.16Å
309	V	92.8	Very high	90.5	Very high	23 Å²	23	43.2 Å²	43.2	14%	0.139	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-37.9	173.6	178.8	0	0	0	0	111.5	L293 I304 P305 N306 D313 M363	L293-V309 HydrophobicContact CD1-CG2 3.97Å; I304-V309 HydrophobicContact CG2-CG2 3.76Å; P305-V309 PolarHBondContact O-N 3.43Å; P305-V309 VanDerWaalsContact O-N 3.14Å; N306-V309 PolarHBondContact O-N 3.28Å; V309-D313 PolarHBondContact O-N 2.87Å; V309-M363 HydrophobicContact CB-CE 4.49Å; V309-M363 HydrophobicContact CG1-CE 4.17Å; V309-M363 HydrophobicContact CG2-CE 3.98Å
310	I	92.7	Very high	90.9	Very high	51 Å²	51	42 Å²	42	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-68.7	-44.6	176.8	-71.2	162.5	0	0	0	111.3	L129 N306 D307 L312 D313 V314	L129-I310 HydrophobicContact CB-CD1 4.45Å; L129-I310 HydrophobicContact CD1-CD1 3.78Å; L129-I310 HydrophobicContact CD1-CG1 4.06Å; N306-I310 WeakPolarHBondContact O-CB 3.5Å; N306-I310 WeakPolarHBondContact O-CD1 3.22Å; N306-I310 WeakPolarHBondContact O-CG1 3.3Å; N306-I310 PolarHBondContact O-N 2.81Å; D307-I310 PolarHBondContact O-N 3.01Å; I310-L312 VanDerWaalsContact C-N 3.33Å; I310-L312 PolarHBondContact O-N 2.86Å; I310-D313 PolarHBondContact O-N 2.81Å; I310-V314 HydrophobicContact CG2-CG2 4.43Å; I310-V314 WeakPolarHBondContact O-CG2 3.45Å; I310-V314 PolarHBondContact O-N 3.32Å
311	S	94.9	Very high	91.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-43	-180	67.7	0	0	0	0	110.7	D307 A308 V314 I315	D307-S311 WeakPolarHBondContact O-CB 3.32Å; D307-S311 PolarHBondContact O-N 3.49Å; D307-S311 PolarHBondContact O-OG 2.91Å; A308-S311 PolarHBondContact O-OG 3.06Å; A308-S311 VanDerWaalsContact O-OG 3.05Å; S311-V314 PolarHBondContact O-N 3.34Å; S311-V314 VanDerWaalsContact O-N 3.17Å; S311-I315 WeakPolarHBondContact O-CD1 3.35Å; S311-I315 WeakPolarHBondContact O-CG1 3.36Å; S311-I315 PolarHBondContact O-N 2.92Å
312	L	94.8	Very high	91.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-42.7	172.6	-66.8	167.4	0	0	0	112.9	M198 L290 L293 A308 I310 V314 I315 M316 V356 M363 I549	M198-L312 HydrophobicContact CG-CD2 4.36Å; M198-L312 HydrophobicContact SD-CD1 3.46Å; M198-L312 WeakPolarHBondContact SD-CD1 3.48Å; M198-L312 HydrophobicContact SD-CD2 4.25Å; L290-L312 HydrophobicContact CD2-CD1 4.48Å; L290-L312 HydrophobicContact CD2-CD2 4.39Å; L290-L312 HydrophobicContact CD2-CG 4.47Å; L293-L312 HydrophobicContact CD2-CD1 3.49Å; L293-L312 VanDerWaalsContact CD2-CD1 3.49Å; A308-L312 WeakPolarHBondContact O-CB 3.49Å; A308-L312 WeakPolarHBondContact O-CD1 3.17Å; A308-L312 WeakPolarHBondContact O-CG 3.39Å; A308-L312 PolarHBondContact O-N 3.48Å; A308-L312 VanDerWaalsContact O-N 3.16Å; I310-L312 VanDerWaalsContact C-N 3.33Å; I310-L312 PolarHBondContact O-N 2.86Å; L312-V314 VanDerWaalsContact C-N 3.29Å; L312-V314 PolarHBondContact O-N 3Å; L312-I315 HydrophobicContact CD2-CD1 4.39Å; L312-I315 PolarHBondContact O-N 2.95Å; L312-M316 WeakPolarHBondContact O-CB 3.32Å; L312-M316 VanDerWaalsContact O-CG 3.25Å; L312-M316 WeakPolarHBondContact O-CG 3.41Å; L312-M316 PolarHBondContact O-N 2.98Å; L312-V356 HydrophobicContact CB-CG1 4.08Å; L312-M363 HydrophobicContact CD1-CE 4.23Å; L312-M363 HydrophobicContact CD1-CG 4.11Å; L312-I549 HydrophobicContact CD2-CD1 3.59Å
313	D	93.6	Very high	92.2	Very high	30 Å²	30	31.3 Å²	31.3	16%	0.16	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-29.5	175.2	-165.5	68.3	0	0	0	111.9	V309 I310 R317 V356	V309-D313 PolarHBondContact O-N 2.87Å; I310-D313 PolarHBondContact O-N 2.81Å; D313-R317 VanDerWaalsContact CG-NE 3.29Å; D313-R317 VanDerWaalsContact O-CB 3.23Å; D313-R317 WeakPolarHBondContact O-CB 3.22Å; D313-R317 WeakPolarHBondContact O-CD 3.33Å; D313-R317 WeakPolarHBondContact O-CG 3.43Å; D313-R317 PolarHBondContact O-N 2.86Å; D313-R317 IonicContact OD1-CZ 2.83Å; D313-R317 IonicContact OD1-NE 3.28Å; D313-R317 PolarHBondContact OD1-NE 3.14Å; D313-R317 IonicContact OD1-NH2 3.07Å; D313-R317 PolarHBondContact OD1-NH2 2.83Å; D313-R317 IonicContact OD2-CZ 3.65Å; D313-R317 IonicContact OD2-NE 3.34Å; D313-R317 PolarHBondContact OD2-NE 2.88Å; D313-R317 IonicContact OD2-NH2 2.81Å; D313-R317 PolarHBondContact OD2-NH2 2.85Å; D313-R317 VanDerWaalsContact OD2-NH2 3.07Å; D313-V356 HydrophobicContact CB-CB 4.1Å; D313-V356 HydrophobicContact CB-CG2 4.31Å; D313-V356 PolarHBondContact OD1-N 3.01Å; D313-V356 VanDerWaalsContact OD1-N 3.15Å
314	V	95.5	Very high	92.5	Very high	16 Å²	16	28.7 Å²	28.7	10%	0.097	15%	0.154	C	C	.	.	H	α-helix	trans	-73.5	-45.6	172.3	171.2	0	0	0	0	111.8	V243 D245 Y251 I310 S311 L312 R317 H318	V243-V314 HydrophobicContact CG2-CG1 4.21Å; D245-V314 HydrophobicContact CB-CG1 4.24Å; D245-V314 HydrophobicContact CB-CG2 3.87Å; Y251-V314 HydrophobicContact CD2-CB 4.25Å; Y251-V314 HydrophobicContact CD2-CG1 3.94Å; Y251-V314 HydrophobicContact CE2-CB 4.02Å; Y251-V314 HydrophobicContact CE2-CG1 4.03Å; Y251-V314 HydrophobicContact CE2-CG2 4.16Å; I310-V314 HydrophobicContact CG2-CG2 4.43Å; I310-V314 WeakPolarHBondContact O-CG2 3.45Å; I310-V314 PolarHBondContact O-N 3.32Å; S311-V314 PolarHBondContact O-N 3.34Å; S311-V314 VanDerWaalsContact O-N 3.17Å; L312-V314 VanDerWaalsContact C-N 3.29Å; L312-V314 PolarHBondContact O-N 3Å; V314-R317 PolarHBondContact O-N 3.1Å; V314-H318 PolarHBondContact O-N 2.76Å
315	I	95.5	Very high	92.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.7	-57.2	176.2	-65.9	157.4	0	0	0	109.8	L203 V243 S311 L312 R317 H318 L544 F547 I549	L203-I315 HydrophobicContact CD1-CD1 3.72Å; V243-I315 HydrophobicContact CG2-CB 4.26Å; V243-I315 HydrophobicContact CG2-CG1 3.54Å; S311-I315 WeakPolarHBondContact O-CD1 3.35Å; S311-I315 WeakPolarHBondContact O-CG1 3.36Å; S311-I315 PolarHBondContact O-N 2.92Å; L312-I315 HydrophobicContact CD2-CD1 4.39Å; L312-I315 PolarHBondContact O-N 2.95Å; I315-R317 PolarHBondContact O-N 3.06Å; I315-R317 VanDerWaalsContact O-N 3.1Å; I315-H318 PolarHBondContact O-N 2.76Å; I315-H318 VanDerWaalsContact O-N 3.1Å; I315-L544 HydrophobicContact CG2-CD2 3.45Å; I315-L544 VanDerWaalsContact CG2-CD2 3.45Å; I315-F547 HydrophobicContact CD1-CD1 3.35Å; I315-F547 HydrophobicContact CD1-CE1 3.62Å; I315-F547 HydrophobicContact CD1-CG 4.11Å; I315-F547 HydrophobicContact CG1-CD1 3.78Å; I315-F547 HydrophobicContact CG1-CE1 3.78Å; I315-F547 HydrophobicContact CG1-CG 4.25Å; I315-F547 HydrophobicContact CG1-CZ 4.26Å; I315-F547 HydrophobicContact CG2-CB 4.23Å; I315-F547 HydrophobicContact CG2-CD1 4.45Å; I315-F547 HydrophobicContact CG2-CD2 4.48Å; I315-F547 HydrophobicContact CG2-CG 4.14Å; I315-I549 HydrophobicContact CB-CD1 4.45Å; I315-I549 HydrophobicContact CD1-CD1 4.05Å; I315-I549 HydrophobicContact CG2-CD1 3.82Å
316	M	94.2	Very high	92.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-24.4	-178.6	-69.3	-58.8	-47.3	0	0	113.8	L312 Q354 V356 L365 F538 L544 I549 V551	L312-M316 WeakPolarHBondContact O-CB 3.32Å; L312-M316 VanDerWaalsContact O-CG 3.25Å; L312-M316 WeakPolarHBondContact O-CG 3.41Å; L312-M316 PolarHBondContact O-N 2.98Å; M316-Q354 PolarHBondContact O-NE2 2.92Å; M316-V356 HydrophobicContact CB-CG2 3.92Å; M316-V356 HydrophobicContact CG-CG2 3.67Å; M316-L365 HydrophobicContact CB-CD1 4.44Å; M316-L365 HydrophobicContact CE-CD1 3.95Å; M316-L365 HydrophobicContact CE-CD2 3.83Å; M316-L365 HydrophobicContact CG-CD1 4.42Å; M316-F538 HydrophobicContact CE-CD1 4Å; M316-F538 HydrophobicContact CE-CE1 4.45Å; M316-L544 HydrophobicContact CE-CD1 3.53Å; M316-L544 HydrophobicContact CE-CD2 4.4Å; M316-L544 HydrophobicContact SD-CD1 3.63Å; M316-L544 HydrophobicContact SD-CD2 3.57Å; M316-L544 VanDerWaalsContact SD-CD2 3.57Å; M316-L544 HydrophobicContact SD-CG 4.28Å; M316-I549 HydrophobicContact SD-CG2 3.99Å; M316-V551 HydrophobicContact CE-CG2 3.76Å; M316-V551 HydrophobicContact SD-CG2 4.29Å
317	R	94.7	Very high	92.9	Very high	27 Å²	27	29 Å²	29	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-93	-9.1	179.8	-76	-177.8	-163	-67	-14.8	114.3	D313 V314 I315 S321 R329 F331 Q354	D313-R317 VanDerWaalsContact CG-NE 3.29Å; D313-R317 VanDerWaalsContact O-CB 3.23Å; D313-R317 WeakPolarHBondContact O-CB 3.22Å; D313-R317 WeakPolarHBondContact O-CD 3.33Å; D313-R317 WeakPolarHBondContact O-CG 3.43Å; D313-R317 PolarHBondContact O-N 2.86Å; D313-R317 IonicContact OD1-CZ 2.83Å; D313-R317 IonicContact OD1-NE 3.28Å; D313-R317 PolarHBondContact OD1-NE 3.14Å; D313-R317 IonicContact OD1-NH2 3.07Å; D313-R317 PolarHBondContact OD1-NH2 2.83Å; D313-R317 IonicContact OD2-CZ 3.65Å; D313-R317 IonicContact OD2-NE 3.34Å; D313-R317 PolarHBondContact OD2-NE 2.88Å; D313-R317 IonicContact OD2-NH2 2.81Å; D313-R317 PolarHBondContact OD2-NH2 2.85Å; D313-R317 VanDerWaalsContact OD2-NH2 3.07Å; V314-R317 PolarHBondContact O-N 3.1Å; I315-R317 PolarHBondContact O-N 3.06Å; I315-R317 VanDerWaalsContact O-N 3.1Å; R317-S321 VanDerWaalsContact O-CB 3.27Å; R317-S321 WeakPolarHBondContact O-CB 3.36Å; R317-S321 PolarHBondContact O-N 2.91Å; R317-S321 PolarHBondContact O-OG 3.43Å; R317-R329 PolarHBondContact NH1-O 3.11Å; R317-F331 HydrophobicContact CB-CZ 4.02Å; R317-F331 HydrophobicContact CG-CE2 4.19Å; R317-F331 HydrophobicContact CG-CZ 3.83Å; R317-Q354 VanDerWaalsContact CZ-O 3.25Å; R317-Q354 PolarHBondContact NH1-O 3.1Å; R317-Q354 PolarHBondContact NH2-O 3.36Å
318	H	94.7	Very high	92.8	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.056	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-60.6	-162.9	-174	69.8	0	0	0	112.5	R221 V243 F244 V314 I315 S321 M322 H543	R221-H318 PolarHBondContact NH1-ND1 3.08Å; V243-H318 HydrophobicContact CB-CB 3.9Å; V243-H318 HydrophobicContact CG1-CB 3.75Å; F244-H318 PolarHBondContact N-CE1 3.32Å; F244-H318 PolarHBondContact N-ND1 3.12Å; F244-H318 PolarHBondContact O-ND1 3.46Å; V314-H318 PolarHBondContact O-N 2.76Å; I315-H318 PolarHBondContact O-N 2.76Å; I315-H318 VanDerWaalsContact O-N 3.1Å; H318-S321 WeakPolarHBondContact O-CB 3.33Å; H318-S321 PolarHBondContact O-N 2.9Å; H318-M322 WeakPolarHBondContact NE2-CE 3.48Å; H318-H543 AromaticContact CD2-CD2 3.91Å; H318-H543 AromaticContact CD2-CE1 3.33Å; H318-H543 PolarHBondContact CD2-CE1 3.03Å; H318-H543 AromaticContact CD2-CG 3.85Å; H318-H543 AromaticContact CD2-ND1 3.49Å; H318-H543 PolarHBondContact CD2-ND1 3.1Å; H318-H543 AromaticContact CD2-NE2 3.61Å; H318-H543 AromaticContact NE2-CE1 3.57Å
319	L	92.9	Very high	92.6	Very high	56 Å²	56	33 Å²	33	29%	0.293	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-48.8	177	176.4	64.9	0	0	0	112.6	S321 M322 S323 D541	L319-S321 PolarHBondContact O-N 3.47Å; L319-S321 VanDerWaalsContact O-N 3.08Å; L319-M322 PolarHBondContact O-N 3.39Å; L319-S323 PolarHBondContact O-N 3.21Å; L319-S323 PolarHBondContact O-OG 3.39Å; L319-D541 WeakPolarHBondContact CB-OD2 3.45Å; L319-D541 HydrophobicContact CD2-CB 4.24Å
320	P	92.1	Very high	92.7	Very high	11 Å²	11	32.3 Å²	32.3	7%	0.071	18%	0.181	C	C	.	.	H	α-helix	trans	-54.4	-29.6	174.1	-30.2	35.9	0	0	0	115.3	M322 Y324 F331 F352	P320-M322 VanDerWaalsContact C-N 3.25Å; P320-M322 PolarHBondContact O-N 3.2Å; P320-Y324 HydrophobicContact CB-CD2 4.1Å; P320-Y324 WeakPolarHBondContact O-CB 3.41Å; P320-Y324 PolarHBondContact O-N 3.33Å; P320-Y324 VanDerWaalsContact O-N 3.16Å; P320-F331 HydrophobicContact CB-CD1 3.95Å; P320-F331 HydrophobicContact CB-CD2 3.81Å; P320-F331 HydrophobicContact CB-CE1 3.84Å; P320-F331 HydrophobicContact CB-CE2 3.67Å; P320-F331 HydrophobicContact CB-CG 3.94Å; P320-F331 HydrophobicContact CB-CZ 3.69Å; P320-F331 VanDerWaalsContact O-CD1 3.28Å; P320-F331 WeakPolarHBondContact O-CD1 3.38Å; P320-F352 HydrophobicContact CB-CZ 4.45Å
321	S	92.9	Very high	92.8	Very high	9 Å²	9	30 Å²	30	6%	0.063	17%	0.169	C	C	.	.	H	α-helix	trans	-77.2	-8.2	177.7	-57.9	0	0	0	0	114.5	R317 H318 L319 F331	R317-S321 VanDerWaalsContact O-CB 3.27Å; R317-S321 WeakPolarHBondContact O-CB 3.36Å; R317-S321 PolarHBondContact O-N 2.91Å; R317-S321 PolarHBondContact O-OG 3.43Å; H318-S321 WeakPolarHBondContact O-CB 3.33Å; H318-S321 PolarHBondContact O-N 2.9Å; L319-S321 PolarHBondContact O-N 3.47Å; L319-S321 VanDerWaalsContact O-N 3.08Å; S321-F331 WeakPolarHBondContact OG-CE1 3.37Å
322	M	89.6	Confident	92.7	Very high	34 Å²	34	30.3 Å²	30.3	17%	0.167	17%	0.171	C	C	.	.	H	α-helix	trans	-107.8	-42.8	177.1	-55.6	-171	-54.4	0	0	110.2	R221 H318 L319 P320	R221-M322 HydrophobicContact CB-CG 4.32Å; R221-M322 HydrophobicContact CB-SD 4.31Å; H318-M322 WeakPolarHBondContact NE2-CE 3.48Å; L319-M322 PolarHBondContact O-N 3.39Å; P320-M322 VanDerWaalsContact C-N 3.25Å; P320-M322 PolarHBondContact O-N 3.2Å
323	S	89.1	Confident	92.3	Very high	74 Å²	74	35.3 Å²	35.3	52%	0.517	19%	0.194	S	C	.	.	H	α-helix	trans	-72.7	-29	178.7	-47.1	0	0	0	0	114.8	L319	L319-S323 PolarHBondContact O-N 3.21Å; L319-S323 PolarHBondContact O-OG 3.39Å
324	Y	90.9	Very high	91.8	Very high	70 Å²	70	37.8 Å²	37.8	28%	0.275	21%	0.207	S	C	.	.	S	Bend	trans	-120.6	176.9	-174.8	-57.3	-64.2	0	0	0	112.9	P320 P326 F331 Q333 F352	P320-Y324 HydrophobicContact CB-CD2 4.1Å; P320-Y324 WeakPolarHBondContact O-CB 3.41Å; P320-Y324 PolarHBondContact O-N 3.33Å; P320-Y324 VanDerWaalsContact O-N 3.16Å; Y324-P326 WeakPolarHBondContact O-CD 3.4Å; Y324-F331 HydrophobicContact CD2-CB 4.03Å; Y324-F331 HydrophobicContact CG-CB 4.18Å; Y324-Q333 HydrophobicContact CD1-CB 4.08Å; Y324-Q333 HydrophobicContact CD1-CG 4.4Å; Y324-Q333 HydrophobicContact CE1-CB 4.37Å; Y324-Q333 HydrophobicContact CE1-CG 4.49Å; Y324-F352 HydrophobicContact CD2-CE1 4.06Å; Y324-F352 HydrophobicContact CD2-CZ 4.09Å; Y324-F352 AromaticContact CE2-CE1 3.79Å; Y324-F352 HydrophobicContact CE2-CE1 3.79Å; Y324-F352 AromaticContact CE2-CZ 3.86Å; Y324-F352 HydrophobicContact CE2-CZ 3.86Å
325	T	91.4	Very high	90.9	Very high	40 Å²	40	38.4 Å²	38.4	25%	0.245	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	107.3	169.3	-59.9	0	0	0	0	110.1	V327 F332 F374	T325-V327 HydrophobicContact CG2-CG2 4.46Å; T325-F332 WeakPolarHBondContact CB-O 3.43Å; T325-F332 PolarHBondContact N-O 2.92Å; T325-F332 PolarHBondContact O-N 2.92Å; T325-F374 HydrophobicContact CG2-CE1 4.1Å; T325-F374 HydrophobicContact CG2-CZ 4.24Å
326	P	93	Very high	89.8	Confident	67 Å²	67	45 Å²	45	44%	0.435	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.3	178.9	29.7	-35.4	0	0	0	112.3	Y324 F331	Y324-P326 WeakPolarHBondContact O-CD 3.4Å; P326-F331 HydrophobicContact CB-CD1 4.08Å; P326-F331 HydrophobicContact CB-CE1 3.96Å
327	V	91.1	Very high	88.7	Confident	15 Å²	15	48.4 Å²	48.4	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	102.8	179.8	172.7	0	0	0	0	108.7	T325 R329 S330 F332 F374	T325-V327 HydrophobicContact CG2-CG2 4.46Å; V327-R329 PolarHBondContact O-N 3.36Å; V327-R329 VanDerWaalsContact O-N 3.11Å; V327-S330 PolarHBondContact N-O 3.3Å; V327-S330 PolarHBondContact O-N 2.77Å; V327-F332 HydrophobicContact CB-CD2 3.79Å; V327-F332 HydrophobicContact CB-CE2 3.78Å; V327-F332 HydrophobicContact CG1-CE2 4.09Å; V327-F332 HydrophobicContact CG2-CD2 3.79Å; V327-F332 HydrophobicContact CG2-CE2 4.21Å; V327-F374 HydrophobicContact CG2-CZ 4.17Å
328	G	88.9	Confident	87.6	Confident	48 Å²	48	56.1 Å²	56.1	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-111.4	-176	0	0	0	0	0	111.4	D125	D125-G328 VanDerWaalsContact OD1-CA 3.3Å; D125-G328 WeakPolarHBondContact OD1-CA 3.4Å
329	R	90.3	Very high	86.7	Confident	108 Å²	108	61.9 Å²	61.9	41%	0.408	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	6	172.7	-72.9	-176	170	168.2	-3.8	113.9	R317 V327 Q354	R317-R329 PolarHBondContact NH1-O 3.11Å; V327-R329 PolarHBondContact O-N 3.36Å; V327-R329 VanDerWaalsContact O-N 3.11Å; R329-Q354 PolarHBondContact O-N 2.84Å
330	S	94.2	Very high	86.5	Confident	8 Å²	8	61.3 Å²	61.3	6%	0.056	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	159	179.9	-60.6	0	0	0	0	113.5	V327 F352 H353	V327-S330 PolarHBondContact N-O 3.3Å; V327-S330 PolarHBondContact O-N 2.77Å; S330-F352 CarbonylContact C-O 3.51Å; S330-F352 WeakPolarHBondContact CA-O 3.01Å; S330-F352 WeakPolarHBondContact CB-O 3.34Å; S330-H353 WeakPolarHBondContact OG-CA 3.32Å
331	F	93.8	Very high	86.5	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.6	174.6	-60.5	-72.6	0	0	0	109.5	R317 P320 S321 Y324 P326 G351 F352 Q354	R317-F331 HydrophobicContact CB-CZ 4.02Å; R317-F331 HydrophobicContact CG-CE2 4.19Å; R317-F331 HydrophobicContact CG-CZ 3.83Å; P320-F331 HydrophobicContact CB-CD1 3.95Å; P320-F331 HydrophobicContact CB-CD2 3.81Å; P320-F331 HydrophobicContact CB-CE1 3.84Å; P320-F331 HydrophobicContact CB-CE2 3.67Å; P320-F331 HydrophobicContact CB-CG 3.94Å; P320-F331 HydrophobicContact CB-CZ 3.69Å; P320-F331 VanDerWaalsContact O-CD1 3.28Å; P320-F331 WeakPolarHBondContact O-CD1 3.38Å; S321-F331 WeakPolarHBondContact OG-CE1 3.37Å; Y324-F331 HydrophobicContact CD2-CB 4.03Å; Y324-F331 HydrophobicContact CG-CB 4.18Å; P326-F331 HydrophobicContact CB-CD1 4.08Å; P326-F331 HydrophobicContact CB-CE1 3.96Å; F331-G351 CarbonylContact O-C 3.54Å; F331-G351 WeakPolarHBondContact O-CA 3.36Å; F331-F352 HydrophobicContact CB-CD1 4.35Å; F331-F352 HydrophobicContact CB-CE1 3.9Å; F331-F352 HydrophobicContact CB-CE2 4.31Å; F331-F352 HydrophobicContact CB-CZ 3.87Å; F331-F352 HydrophobicContact CD2-CD2 4.23Å; F331-F352 AromaticContact CD2-CE2 3.62Å; F331-F352 HydrophobicContact CD2-CE2 3.62Å; F331-F352 AromaticContact CD2-CZ 3.88Å; F331-F352 HydrophobicContact CD2-CZ 3.88Å; F331-F352 HydrophobicContact CE2-CE2 4.46Å; F331-F352 HydrophobicContact CG-CE2 4.37Å; F331-F352 HydrophobicContact CG-CZ 4.2Å; F331-F352 PolarHBondContact N-O 2.93Å; F331-F352 PolarHBondContact O-N 3.36Å; F331-Q354 HydrophobicContact CD2-CB 4.35Å; F331-Q354 HydrophobicContact CE2-CB 4.08Å
332	F	93.1	Very high	86.5	Confident	5 Å²	5	64.1 Å²	64.1	2%	0.022	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.6	-178	-67.5	-84.8	0	0	0	111.6	T325 V327 W349 T372 F374	T325-F332 WeakPolarHBondContact CB-O 3.43Å; T325-F332 PolarHBondContact N-O 2.92Å; T325-F332 PolarHBondContact O-N 2.92Å; V327-F332 HydrophobicContact CB-CD2 3.79Å; V327-F332 HydrophobicContact CB-CE2 3.78Å; V327-F332 HydrophobicContact CG1-CE2 4.09Å; V327-F332 HydrophobicContact CG2-CD2 3.79Å; V327-F332 HydrophobicContact CG2-CE2 4.21Å; F332-W349 HydrophobicContact CB-CE3 4.18Å; F332-W349 HydrophobicContact CD1-CB 4.42Å; F332-T372 HydrophobicContact CD1-CG2 4.17Å; F332-T372 HydrophobicContact CD2-CG2 4.25Å; F332-T372 HydrophobicContact CE1-CG2 3.79Å; F332-T372 HydrophobicContact CE2-CG2 3.84Å; F332-T372 HydrophobicContact CG-CG2 4.4Å; F332-T372 HydrophobicContact CZ-CG2 3.61Å; F332-F374 HydrophobicContact CB-CE2 3.93Å; F332-F374 HydrophobicContact CB-CZ 3.91Å; F332-F374 HydrophobicContact CD1-CE2 4.32Å; F332-F374 HydrophobicContact CD2-CE2 4.32Å; F332-F374 HydrophobicContact CD2-CZ 4.42Å; F332-F374 AromaticContact CG-CE2 3.94Å; F332-F374 HydrophobicContact CG-CE2 3.94Å; F332-F374 HydrophobicContact CG-CZ 4.23Å
333	Q	86.9	Confident	86.6	Confident	106 Å²	106	63.9 Å²	63.9	50%	0.495	36%	0.361	S	S	.	.			trans	-116.8	150.9	178.1	-169.2	176.2	-16	0	0	109.8	Y324 W349 F350	Y324-Q333 HydrophobicContact CD1-CB 4.08Å; Y324-Q333 HydrophobicContact CD1-CG 4.4Å; Y324-Q333 HydrophobicContact CE1-CB 4.37Å; Y324-Q333 HydrophobicContact CE1-CG 4.49Å; Q333-W349 VanDerWaalsContact C-CE3 3.45Å; Q333-W349 VanDerWaalsContact O-CE3 3.25Å; Q333-F350 PolarHBondContact N-O 3.38Å
334	N	82.7	Confident	86.8	Confident	83 Å²	83	61 Å²	61	44%	0.444	34%	0.343	S	S	.	.			trans	-59.1	139.8	169.3	-166.5	72.5	0	0	0	109.5	D336 W349	N334-D336 PolarHBondContact O-N 2.83Å; N334-W349 HydrophobicContact CB-CH2 3.87Å; N334-W349 HydrophobicContact CB-CZ2 4Å; N334-W349 HydrophobicContact CB-CZ3 4.38Å; N334-W349 WeakPolarHBondContact OD1-CZ2 3.31Å
335	P	77.2	Confident	86.9	Confident	29 Å²	29	57.7 Å²	57.7	19%	0.188	33%	0.33	C	S	.	.			trans	-56.9	135.2	172.4	-24	34.1	0	0	0	110.6	W349	P335-W349 VanDerWaalsContact CD-CD1 3.47Å; P335-W349 HydrophobicContact CG-CG 4.43Å
336	D	72.8	Confident	87.1	Confident	137 Å²	137	56 Å²	56	73%	0.733	32%	0.319	S	S	*	.	S	Bend	trans	-121.4	121	175.9	-167.1	1.3	0	0	0	107.3	N334 Y338	N334-D336 PolarHBondContact O-N 2.83Å; D336-Y338 WeakPolarHBondContact O-CD2 3.29Å; D336-Y338 PolarHBondContact O-N 3.14Å
337	G	71.3	Confident	87.2	Confident	73 Å²	73	53.3 Å²	53.3	75%	0.753	30%	0.301	S	S	*	.	S	Bend	trans	64.4	-12	-173.1	0	0	0	0	0	118
338	Y	70.6	Confident	87.3	Confident	189 Å²	189	52.7 Å²	52.7	74%	0.741	30%	0.297	S	S	*	.			trans	-134.9	77.2	-169.9	-67.4	-76.8	0	0	0	114.3	D336 N340	D336-Y338 WeakPolarHBondContact O-CD2 3.29Å; D336-Y338 PolarHBondContact O-N 3.14Å; Y338-N340 PolarHBondContact O-ND2 3.41Å
339	E	76.8	Confident	87.5	Confident	134 Å²	134	50.7 Å²	50.7	63%	0.626	27%	0.274	S	S	*	.			trans	-59.1	138.1	170.6	-73.1	-163.6	-158.3	0	0	112.2	P341	E339-P341 VanDerWaalsContact C-CD 3.5Å
340	N	88.4	Confident	87.6	Confident	44 Å²	44	49.3 Å²	49.3	24%	0.235	27%	0.271	C	S	.	.			trans	-127	70.2	175.7	-82.3	-105.1	0	0	0	109.5	Y338 E347 V348	Y338-N340 PolarHBondContact O-ND2 3.41Å; N340-E347 CarbonylContact O-C 3.55Å; N340-E347 VanDerWaalsContact O-CA 3.32Å; N340-E347 WeakPolarHBondContact O-CA 3.49Å; N340-V348 HydrophobicContact CB-CB 3.87Å; N340-V348 HydrophobicContact CB-CG2 4.32Å; N340-V348 PolarHBondContact O-N 2.79Å
341	P	91.6	Very high	87.5	Confident	70 Å²	70	49.6 Å²	49.6	46%	0.455	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-66.2	139.1	-174.8	27.4	-34.8	0	0	0	111.7	E339	E339-P341 VanDerWaalsContact C-CD 3.5Å
342	L	92.8	Very high	87.5	Confident	9 Å²	9	50 Å²	50	5%	0.047	28%	0.278	C	S	.	.			trans	-102.7	-15	172.8	-62.8	176.1	0	0	0	111.9	R346 V348 A373 L506 Q510 T513 M514	L342-R346 HydrophobicContact CB-CB 4.1Å; L342-R346 HydrophobicContact CD1-CB 4.46Å; L342-R346 PolarHBondContact N-O 2.97Å; L342-V348 HydrophobicContact CD1-CG2 3.97Å; L342-V348 HydrophobicContact CD2-CG2 3.65Å; L342-V348 HydrophobicContact CG-CG2 3.88Å; L342-A373 HydrophobicContact CD1-CB 3.85Å; L342-L506 HydrophobicContact CD1-CD1 4.23Å; L342-L506 HydrophobicContact CD1-CD2 4.44Å; L342-Q510 HydrophobicContact CB-CB 4.44Å; L342-Q510 HydrophobicContact CB-CG 4.12Å; L342-Q510 VanDerWaalsContact O-CG 3.28Å; L342-Q510 WeakPolarHBondContact O-CG 3.47Å; L342-T513 HydrophobicContact CD2-CG2 3.94Å; L342-M514 HydrophobicContact CD2-CB 3.98Å
343	G	91.8	Very high	87.5	Confident	29 Å²	29	50.2 Å²	50.2	30%	0.299	28%	0.278	S	S	.	.	S	Bend	trans	77.5	157.7	-170.8	0	0	0	0	0	112.5	R346 E386 Q510	G343-R346 PolarHBondContact N-O 2.62Å; G343-E386 WeakPolarHBondContact CA-OE2 3.5Å; G343-Q510 PolarHBondContact O-NE2 2.98Å
344	G	92.7	Very high	87.9	Confident	14 Å²	14	45.1 Å²	45.1	14%	0.144	26%	0.255	C	S	.	.	S	Bend	trans	75.6	31	-173.7	0	0	0	0	0	113.5	E386	G344-E386 WeakPolarHBondContact CA-O 3.18Å; G344-E386 PolarHBondContact N-OE2 2.81Å
345	G	93.7	Very high	88.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	74.3	25.7	179.6	0	0	0	0	0	113.4	Y375 K376 E386	G345-Y375 WeakPolarHBondContact O-CA 3.29Å; G345-K376 PolarHBondContact O-N 2.8Å; G345-E386 WeakPolarHBondContact CA-OE2 3.4Å; G345-E386 PolarHBondContact N-OE2 2.88Å
346	R	95.3	Very high	89.2	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.5	-168.8	-64.5	165.6	-170.9	-168.8	-3.5	111.4	L342 G343 F374 Y375 E411 K505	L342-R346 HydrophobicContact CB-CB 4.1Å; L342-R346 HydrophobicContact CD1-CB 4.46Å; L342-R346 PolarHBondContact N-O 2.97Å; G343-R346 PolarHBondContact N-O 2.62Å; R346-F374 VanDerWaalsContact CA-O 3.29Å; R346-F374 WeakPolarHBondContact CA-O 3.25Å; R346-Y375 HydrophobicContact CG-CD1 4.11Å; R346-Y375 HydrophobicContact CG-CE1 4.13Å; R346-E411 IonicContact CZ-OE1 3.55Å; R346-E411 IonicContact CZ-OE2 3.16Å; R346-E411 IonicContact NH2-OE1 3.39Å; R346-E411 PolarHBondContact NH2-OE1 2.8Å; R346-E411 IonicContact NH2-OE2 2.69Å; R346-E411 PolarHBondContact NH2-OE2 3.11Å; R346-K505 PolarHBondContact NH1-O 2.81Å
347	E	94.5	Very high	90.1	Very high	11 Å²	11	36 Å²	36	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	166.9	-179.4	58.1	177	167.9	0	0	111.4	N340 W349 A373 F374 K376	N340-E347 CarbonylContact O-C 3.55Å; N340-E347 VanDerWaalsContact O-CA 3.32Å; N340-E347 WeakPolarHBondContact O-CA 3.49Å; E347-W349 VanDerWaalsContact CD-NE1 3.31Å; E347-W349 PolarHBondContact OE1-NE1 3.48Å; E347-A373 CarbonylContact O-C 3.54Å; E347-A373 VanDerWaalsContact O-CA 3.27Å; E347-A373 WeakPolarHBondContact O-CA 3.43Å; E347-F374 HydrophobicContact CG-CB 4.45Å; E347-F374 PolarHBondContact N-O 2.86Å; E347-F374 PolarHBondContact O-N 2.97Å; E347-K376 HydrophobicContact CB-CG 3.84Å; E347-K376 HydrophobicContact CG-CG 3.74Å
348	V	94	Very high	91.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.7	172.4	-174.1	0	0	0	0	110.1	N340 L342 F350 A371 M514 T518	N340-V348 HydrophobicContact CB-CB 3.87Å; N340-V348 HydrophobicContact CB-CG2 4.32Å; N340-V348 PolarHBondContact O-N 2.79Å; L342-V348 HydrophobicContact CD1-CG2 3.97Å; L342-V348 HydrophobicContact CD2-CG2 3.65Å; L342-V348 HydrophobicContact CG-CG2 3.88Å; V348-F350 HydrophobicContact CG1-CD2 4.42Å; V348-F350 HydrophobicContact CG1-CE2 4.06Å; V348-F350 HydrophobicContact CG1-CZ 4.21Å; V348-A371 HydrophobicContact CG1-CB 3.89Å; V348-M514 HydrophobicContact CG2-CG 4.24Å; V348-T518 HydrophobicContact CG1-CG2 4.01Å
349	W	93.4	Very high	92.1	Very high	7 Å²	7	24.6 Å²	24.6	3%	0.027	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.4	163.4	-69.6	18.6	0	0	0	109.6	F332 Q333 N334 P335 E347 A371 T372 F374	F332-W349 HydrophobicContact CB-CE3 4.18Å; F332-W349 HydrophobicContact CD1-CB 4.42Å; Q333-W349 VanDerWaalsContact C-CE3 3.45Å; Q333-W349 VanDerWaalsContact O-CE3 3.25Å; N334-W349 HydrophobicContact CB-CH2 3.87Å; N334-W349 HydrophobicContact CB-CZ2 4Å; N334-W349 HydrophobicContact CB-CZ3 4.38Å; N334-W349 WeakPolarHBondContact OD1-CZ2 3.31Å; P335-W349 VanDerWaalsContact CD-CD1 3.47Å; P335-W349 HydrophobicContact CG-CG 4.43Å; E347-W349 VanDerWaalsContact CD-NE1 3.31Å; E347-W349 PolarHBondContact OE1-NE1 3.48Å; W349-A371 WeakPolarHBondContact O-CA 3.44Å; W349-T372 PolarHBondContact N-O 2.86Å; W349-T372 PolarHBondContact O-N 3.08Å; W349-T372 VanDerWaalsContact O-N 3.09Å; W349-F374 HydrophobicContact CB-CD2 3.47Å; W349-F374 VanDerWaalsContact CB-CD2 3.47Å; W349-F374 HydrophobicContact CB-CE2 3.75Å; W349-F374 HydrophobicContact CB-CG 4.2Å; W349-F374 AromaticContact CD1-CG 3.92Å; W349-F374 HydrophobicContact CD2-CB 3.96Å; W349-F374 AromaticContact CD2-CD1 3.74Å; W349-F374 HydrophobicContact CD2-CD1 3.74Å; W349-F374 AromaticContact CD2-CD2 3.65Å; W349-F374 HydrophobicContact CD2-CD2 3.65Å; W349-F374 HydrophobicContact CD2-CE1 4.1Å; W349-F374 AromaticContact CD2-CE2 3.97Å; W349-F374 HydrophobicContact CD2-CE2 3.97Å; W349-F374 AromaticContact CD2-CG 3.52Å; W349-F374 HydrophobicContact CD2-CG 3.52Å; W349-F374 HydrophobicContact CD2-CZ 4.2Å; W349-F374 AromaticContact CE2-CD1 3.95Å; W349-F374 AromaticContact CE2-CG 3.84Å; W349-F374 AromaticContact CE3-CD1 3.78Å; W349-F374 HydrophobicContact CE3-CD1 3.78Å; W349-F374 HydrophobicContact CE3-CD2 4.02Å; W349-F374 AromaticContact CE3-CE1 3.66Å; W349-F374 HydrophobicContact CE3-CE1 3.66Å; W349-F374 AromaticContact CE3-CE2 3.86Å; W349-F374 HydrophobicContact CE3-CE2 3.86Å; W349-F374 AromaticContact CE3-CG 3.98Å; W349-F374 HydrophobicContact CE3-CG 3.98Å; W349-F374 AromaticContact CE3-CZ 3.69Å; W349-F374 HydrophobicContact CE3-CZ 3.69Å; W349-F374 HydrophobicContact CG-CB 3.83Å; W349-F374 HydrophobicContact CG-CD1 4.32Å; W349-F374 AromaticContact CG-CD2 3.4Å; W349-F374 HydrophobicContact CG-CD2 3.4Å; W349-F374 VanDerWaalsContact CG-CD2 3.4Å; W349-F374 AromaticContact CG-CE2 3.95Å; W349-F374 HydrophobicContact CG-CE2 3.95Å; W349-F374 AromaticContact CG-CG 3.6Å; W349-F374 HydrophobicContact CG-CG 3.6Å; W349-F374 HydrophobicContact CH2-CD1 4.35Å; W349-F374 HydrophobicContact CZ2-CD1 4.25Å; W349-F374 HydrophobicContact CZ3-CD1 4.1Å; W349-F374 AromaticContact CZ3-CE1 3.9Å; W349-F374 HydrophobicContact CZ3-CE1 3.9Å; W349-F374 HydrophobicContact CZ3-CZ 4.28Å
350	F	91.2	Very high	92.5	Very high	79 Å²	79	19 Å²	19	35%	0.346	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	161.1	172.5	-70	-90.4	0	0	0	111	Q333 V348 A371 T518	Q333-F350 PolarHBondContact N-O 3.38Å; V348-F350 HydrophobicContact CG1-CD2 4.42Å; V348-F350 HydrophobicContact CG1-CE2 4.06Å; V348-F350 HydrophobicContact CG1-CZ 4.21Å; F350-A371 HydrophobicContact CD1-CB 4.01Å; F350-A371 HydrophobicContact CE1-CB 4.1Å; F350-T518 HydrophobicContact CE1-CG2 4.19Å; F350-T518 HydrophobicContact CZ-CG2 4.34Å
351	G	92.4	Very high	92	Very high	14 Å²	14	24.7 Å²	24.7	14%	0.144	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-159.4	-174.3	0	0	0	0	0	112.1	F331 S370	F331-G351 CarbonylContact O-C 3.54Å; F331-G351 WeakPolarHBondContact O-CA 3.36Å; G351-S370 PolarHBondContact N-O 3.01Å; G351-S370 PolarHBondContact O-N 3.01Å
352	F	93.9	Very high	91.8	Very high	13 Å²	13	26 Å²	26	6%	0.057	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.9	179.9	58.1	-77.6	0	0	0	111.9	P320 Y324 S330 F331 Q354 D368 L532	P320-F352 HydrophobicContact CB-CZ 4.45Å; Y324-F352 HydrophobicContact CD2-CE1 4.06Å; Y324-F352 HydrophobicContact CD2-CZ 4.09Å; Y324-F352 AromaticContact CE2-CE1 3.79Å; Y324-F352 HydrophobicContact CE2-CE1 3.79Å; Y324-F352 AromaticContact CE2-CZ 3.86Å; Y324-F352 HydrophobicContact CE2-CZ 3.86Å; S330-F352 CarbonylContact C-O 3.51Å; S330-F352 WeakPolarHBondContact CA-O 3.01Å; S330-F352 WeakPolarHBondContact CB-O 3.34Å; F331-F352 HydrophobicContact CB-CD1 4.35Å; F331-F352 HydrophobicContact CB-CE1 3.9Å; F331-F352 HydrophobicContact CB-CE2 4.31Å; F331-F352 HydrophobicContact CB-CZ 3.87Å; F331-F352 HydrophobicContact CD2-CD2 4.23Å; F331-F352 AromaticContact CD2-CE2 3.62Å; F331-F352 HydrophobicContact CD2-CE2 3.62Å; F331-F352 AromaticContact CD2-CZ 3.88Å; F331-F352 HydrophobicContact CD2-CZ 3.88Å; F331-F352 HydrophobicContact CE2-CE2 4.46Å; F331-F352 HydrophobicContact CG-CE2 4.37Å; F331-F352 HydrophobicContact CG-CZ 4.2Å; F331-F352 PolarHBondContact N-O 2.93Å; F331-F352 PolarHBondContact O-N 3.36Å; F352-Q354 HydrophobicContact CD2-CB 4.26Å; F352-Q354 HydrophobicContact CE2-CB 4.37Å; F352-D368 WeakPolarHBondContact CA-O 3.31Å; F352-L532 HydrophobicContact CB-CD1 3.79Å; F352-L532 HydrophobicContact CB-CD2 3.94Å; F352-L532 HydrophobicContact CD1-CD1 3.97Å; F352-L532 HydrophobicContact CD1-CD2 4.15Å; F352-L532 HydrophobicContact CD2-CD2 4.28Å; F352-L532 HydrophobicContact CG-CD1 4.14Å; F352-L532 HydrophobicContact CG-CD2 3.89Å
353	H	94.7	Very high	91.9	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	142	159.1	168.2	87.2	0	0	0	109	S330 S355 I367 D368 H862	S330-H353 WeakPolarHBondContact OG-CA 3.32Å; H353-S355 WeakPolarHBondContact NE2-CB 3.3Å; H353-S355 PolarHBondContact NE2-OG 3.25Å; H353-I367 WeakPolarHBondContact O-CA 3.45Å; H353-D368 HydrophobicContact CB-CB 4.29Å; H353-D368 PolarHBondContact N-O 3.32Å; H353-D368 PolarHBondContact O-N 3.32Å; H353-D368 VanDerWaalsContact O-N 3.14Å; H353-H862 WeakPolarHBondContact CB-ND1 3.37Å; H353-H862 WeakPolarHBondContact CD2-CB 3.45Å; H353-H862 AromaticContact CD2-CD2 3.94Å; H353-H862 AromaticContact CD2-CG 3.4Å; H353-H862 AromaticContact CD2-ND1 3.87Å; H353-H862 AromaticContact CE1-CD2 3.63Å; H353-H862 AromaticContact CE1-CG 3.89Å; H353-H862 AromaticContact CG-CD2 3.64Å; H353-H862 AromaticContact CG-CE1 3.75Å; H353-H862 AromaticContact CG-CG 3.31Å; H353-H862 AromaticContact CG-ND1 3.41Å; H353-H862 AromaticContact CG-NE2 3.95Å; H353-H862 AromaticContact ND1-CD2 3.45Å; H353-H862 PolarHBondContact ND1-CD2 2.93Å; H353-H862 AromaticContact ND1-CE1 3.92Å; H353-H862 AromaticContact ND1-CG 3.66Å; H353-H862 AromaticContact ND1-ND1 3.96Å; H353-H862 AromaticContact ND1-NE2 3.69Å; H353-H862 AromaticContact NE2-CD2 3.92Å; H353-H862 AromaticContact NE2-CG 3.76Å
354	Q	94.6	Very high	92.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.9	170.7	178.7	-179.7	-36.5	0	0	109.9	M316 R317 R329 F331 F352 L365 N366 I367	M316-Q354 PolarHBondContact O-NE2 2.92Å; R317-Q354 VanDerWaalsContact CZ-O 3.25Å; R317-Q354 PolarHBondContact NH1-O 3.1Å; R317-Q354 PolarHBondContact NH2-O 3.36Å; R329-Q354 PolarHBondContact O-N 2.84Å; F331-Q354 HydrophobicContact CD2-CB 4.35Å; F331-Q354 HydrophobicContact CE2-CB 4.08Å; F352-Q354 HydrophobicContact CD2-CB 4.26Å; F352-Q354 HydrophobicContact CE2-CB 4.37Å; Q354-L365 HydrophobicContact CG-CD1 3.83Å; Q354-N366 WeakPolarHBondContact CA-O 3.38Å; Q354-I367 HydrophobicContact CB-CD1 3.94Å; Q354-I367 HydrophobicContact CG-CD1 3.8Å
355	S	93.3	Very high	92.2	Very high	5 Å²	5	24 Å²	24	4%	0.035	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	132.6	164.6	53.7	0	0	0	0	111.4	H353 N366	H353-S355 WeakPolarHBondContact NE2-CB 3.3Å; H353-S355 PolarHBondContact NE2-OG 3.25Å; S355-N366 PolarHBondContact N-O 3.45Å; S355-N366 VanDerWaalsContact N-O 3.08Å; S355-N366 PolarHBondContact O-N 3.14Å
356	V	93.6	Very high	92.3	Very high	12 Å²	12	24.2 Å²	24.2	7%	0.073	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140	164.3	176	0	0	0	0	108.9	I196 L312 D313 M316 M363 L365	I196-V356 HydrophobicContact CD1-CB 4.47Å; I196-V356 HydrophobicContact CD1-CG1 4Å; I196-V356 HydrophobicContact CD1-CG2 3.96Å; L312-V356 HydrophobicContact CB-CG1 4.08Å; D313-V356 HydrophobicContact CB-CB 4.1Å; D313-V356 HydrophobicContact CB-CG2 4.31Å; D313-V356 PolarHBondContact OD1-N 3.01Å; D313-V356 VanDerWaalsContact OD1-N 3.15Å; M316-V356 HydrophobicContact CB-CG2 3.92Å; M316-V356 HydrophobicContact CG-CG2 3.67Å; V356-M363 HydrophobicContact CG1-CE 3.33Å; V356-L365 HydrophobicContact CG2-CD1 4.05Å
357	R	91.5	Very high	92.4	Very high	39 Å²	39	24 Å²	24	15%	0.147	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.1	176.6	-64.1	-176.1	65.3	81.7	-8	110.7	M363 M364 E823	R357-M363 VanDerWaalsContact C-CE 3.46Å; R357-M363 WeakPolarHBondContact O-CE 3.26Å; R357-M364 PolarHBondContact N-O 3.35Å; R357-M364 PolarHBondContact O-N 2.97Å; R357-E823 IonicContact CZ-OE1 3.78Å; R357-E823 IonicContact CZ-OE2 3.4Å; R357-E823 IonicContact NH1-OE1 3.1Å; R357-E823 PolarHBondContact NH1-OE1 2.85Å; R357-E823 IonicContact NH1-OE2 3.94Å; R357-E823 PolarHBondContact NH1-OE2 2.87Å; R357-E823 IonicContact NH2-OE1 3.19Å; R357-E823 PolarHBondContact NH2-OE1 2.81Å
358	P	92.6	Very high	92.4	Very high	23 Å²	23	23.6 Å²	23.6	15%	0.149	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	148.1	160.8	32.1	-33.6	0	0	0	110	L297 I304 M363	L297-P358 HydrophobicContact CD2-CB 3.68Å; I304-P358 HydrophobicContact CD1-CB 3.65Å; I304-P358 HydrophobicContact CD1-CG 3.66Å; I304-P358 HydrophobicContact CG2-CB 4.38Å; I304-P358 HydrophobicContact CG2-CG 4.45Å; P358-M363 VanDerWaalsContact CA-SD 3.58Å; P358-M363 HydrophobicContact CB-CE 4.45Å; P358-M363 HydrophobicContact CB-SD 3.94Å
359	S	91.3	Very high	92.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	11%	0.11	C	C	.	.			trans	-145.8	-177.7	164.8	72.2	0	0	0	0	110	L297 W361 R362 M364 V889 T891	L297-S359 VanDerWaalsContact CD2-O 3.25Å; L297-S359 WeakPolarHBondContact CD2-O 3.49Å; S359-W361 PolarHBondContact O-N 2.96Å; S359-R362 PolarHBondContact N-O 2.86Å; S359-R362 PolarHBondContact OG-O 3.44Å; S359-M364 VanDerWaalsContact OG-CG 3.26Å; S359-M364 WeakPolarHBondContact OG-CG 3.15Å; S359-V889 WeakPolarHBondContact CB-O 3.37Å; S359-V889 PolarHBondContact OG-O 3.36Å; S359-T891 CarbonylContact C-O 3.53Å; S359-T891 WeakPolarHBondContact CA-O 3.48Å; S359-T891 WeakPolarHBondContact CB-O 3.29Å
360	Q	86.3	Confident	92.2	Very high	16 Å²	16	25.3 Å²	25.3	8%	0.075	12%	0.116	C	C	.	.	S	Bend	trans	-52.6	127.2	170.9	-66.2	170.5	11.9	0	0	110.5	R362 D887 Q888 T891	Q360-R362 VanDerWaalsContact C-N 3.27Å; Q360-R362 PolarHBondContact O-N 2.93Å; Q360-D887 PolarHBondContact NE2-O 3.46Å; Q360-Q888 VanDerWaalsContact OE1-CA 3.28Å; Q360-T891 PolarHBondContact N-O 2.88Å; Q360-T891 PolarHBondContact NE2-OG1 3.07Å; Q360-T891 VanDerWaalsContact NE2-OG1 3.08Å
361	W	76.4	Confident	92.3	Very high	164 Å²	164	22.7 Å²	22.7	62%	0.621	11%	0.109	S	C	*	.	S	Bend	trans	71.1	-31.8	176.1	-45.3	102.4	0	0	0	118.4	L297 S359	L297-W361 WeakPolarHBondContact O-CA 3.46Å; L297-W361 PolarHBondContact O-N 2.93Å; S359-W361 PolarHBondContact O-N 2.96Å
362	R	88.9	Confident	92.3	Very high	96 Å²	96	23 Å²	23	36%	0.362	11%	0.108	S	C	.	.	S	Bend	trans	-146	160.7	-171.9	-69.8	-63.5	-177.4	-145.2	2.8	112.9	E195 E294 S359 Q360	E195-R362 HydrophobicContact CG-CB 4.41Å; E195-R362 HydrophobicContact CG-CG 4.2Å; E195-R362 IonicContact OE1-NE 3Å; E294-R362 IonicContact OE1-NH1 2.74Å; E294-R362 PolarHBondContact OE1-NH1 3.34Å; S359-R362 PolarHBondContact N-O 2.86Å; S359-R362 PolarHBondContact OG-O 3.44Å; Q360-R362 VanDerWaalsContact C-N 3.27Å; Q360-R362 PolarHBondContact O-N 2.93Å
363	M	94.2	Very high	92.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	142.3	163.4	-68.3	-56.2	-68.1	0	0	109.8	I196 M198 L293 L297 V309 L312 V356 R357 P358	I196-M363 HydrophobicContact CB-CB 4.01Å; I196-M363 HydrophobicContact CD1-CB 4.26Å; I196-M363 PolarHBondContact N-O 2.85Å; M198-M363 HydrophobicContact CE-CG 3.76Å; M198-M363 HydrophobicContact SD-CB 4.2Å; M198-M363 HydrophobicContact SD-CG 3.49Å; M198-M363 WeakPolarHBondContact SD-CG 3.44Å; L293-M363 HydrophobicContact CD1-SD 4.1Å; L293-M363 HydrophobicContact CD2-CG 4.09Å; L293-M363 HydrophobicContact CD2-SD 3.96Å; L293-M363 HydrophobicContact CG-SD 4.28Å; L297-M363 HydrophobicContact CD1-CG 3.65Å; L297-M363 HydrophobicContact CD1-SD 3.71Å; L297-M363 HydrophobicContact CD2-SD 3.81Å; L297-M363 HydrophobicContact CG-SD 4.29Å; V309-M363 HydrophobicContact CB-CE 4.49Å; V309-M363 HydrophobicContact CG1-CE 4.17Å; V309-M363 HydrophobicContact CG2-CE 3.98Å; L312-M363 HydrophobicContact CD1-CE 4.23Å; L312-M363 HydrophobicContact CD1-CG 4.11Å; V356-M363 HydrophobicContact CG1-CE 3.33Å; R357-M363 VanDerWaalsContact C-CE 3.46Å; R357-M363 WeakPolarHBondContact O-CE 3.26Å; P358-M363 VanDerWaalsContact CA-SD 3.58Å; P358-M363 HydrophobicContact CB-CE 4.45Å; P358-M363 HydrophobicContact CB-SD 3.94Å
364	M	95.2	Very high	92.3	Very high	12 Å²	12	22.1 Å²	22.1	6%	0.059	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.8	-176.6	-74.7	-69	-163.4	0	0	111.5	H193 R357 S359 A556 V889 I890	H193-M364 HydrophobicContact CB-CB 4.24Å; H193-M364 HydrophobicContact CB-CG 4.3Å; H193-M364 HydrophobicContact CB-SD 3.94Å; R357-M364 PolarHBondContact N-O 3.35Å; R357-M364 PolarHBondContact O-N 2.97Å; S359-M364 VanDerWaalsContact OG-CG 3.26Å; S359-M364 WeakPolarHBondContact OG-CG 3.15Å; M364-A556 HydrophobicContact CE-CB 3.85Å; M364-V889 HydrophobicContact CE-CG1 4.09Å; M364-I890 HydrophobicContact CE-CG2 4.44Å
365	L	95.8	Very high	92.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	108.2	168.7	-170.4	70	0	0	0	108.7	H193 F194 I196 M316 Q354 V356 I367 F538 V551	H193-L365 WeakPolarHBondContact CA-O 3.48Å; F194-L365 HydrophobicContact CB-CB 4.32Å; F194-L365 PolarHBondContact N-O 2.87Å; F194-L365 PolarHBondContact O-N 2.96Å; I196-L365 HydrophobicContact CD1-CB 3.89Å; I196-L365 HydrophobicContact CD1-CD1 4.46Å; I196-L365 HydrophobicContact CG1-CB 3.87Å; M316-L365 HydrophobicContact CB-CD1 4.44Å; M316-L365 HydrophobicContact CE-CD1 3.95Å; M316-L365 HydrophobicContact CE-CD2 3.83Å; M316-L365 HydrophobicContact CG-CD1 4.42Å; Q354-L365 HydrophobicContact CG-CD1 3.83Å; V356-L365 HydrophobicContact CG2-CD1 4.05Å; L365-I367 HydrophobicContact CD1-CD1 4.39Å; L365-I367 HydrophobicContact CD2-CD1 3.9Å; L365-I367 HydrophobicContact CD2-CG1 4.02Å; L365-I367 HydrophobicContact CG-CD1 3.82Å; L365-I367 HydrophobicContact CG-CG1 3.99Å; L365-F538 HydrophobicContact CD2-CD2 4.3Å; L365-F538 HydrophobicContact CD2-CE1 4.2Å; L365-F538 HydrophobicContact CD2-CE2 3.95Å; L365-F538 HydrophobicContact CD2-CZ 3.9Å; L365-V551 HydrophobicContact CD2-CG1 3.96Å; L365-V551 HydrophobicContact CD2-CG2 4.32Å
366	N	96	Very high	92.4	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.7	173.8	177	-136.2	0	0	0	110.7	N192 H193 Q354 S355 H862	N192-N366 VanDerWaalsContact CG-ND2 3.31Å; N192-N366 PolarHBondContact ND2-ND2 3.06Å; N192-N366 WeakPolarHBondContact O-CA 3.5Å; N192-N366 PolarHBondContact O-ND2 2.81Å; N192-N366 PolarHBondContact OD1-ND2 2.89Å; N192-N366 VanDerWaalsContact OD1-ND2 3.11Å; H193-N366 VanDerWaalsContact CE1-CG 3.42Å; H193-N366 PolarHBondContact CE1-ND2 2.98Å; H193-N366 PolarHBondContact ND1-ND2 3.24Å; Q354-N366 WeakPolarHBondContact CA-O 3.38Å; S355-N366 PolarHBondContact N-O 3.45Å; S355-N366 VanDerWaalsContact N-O 3.08Å; S355-N366 PolarHBondContact O-N 3.14Å; N366-H862 VanDerWaalsContact OD1-C 3.31Å; N366-H862 WeakPolarHBondContact OD1-CB 3.33Å
367	I	96.6	Very high	92.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.2	179.7	-59.3	-61.8	0	0	0	109.8	N192 F194 H353 Q354 L365 I529 L532 V533 F538	N192-I367 VanDerWaalsContact CB-O 3.31Å; N192-I367 WeakPolarHBondContact CB-O 3.47Å; N192-I367 PolarHBondContact ND2-O 2.88Å; N192-I367 PolarHBondContact O-N 3.35Å; N192-I367 VanDerWaalsContact O-N 3.16Å; F194-I367 HydrophobicContact CD2-CB 4.3Å; F194-I367 HydrophobicContact CD2-CG1 4.19Å; F194-I367 HydrophobicContact CE2-CB 4.09Å; F194-I367 HydrophobicContact CE2-CG1 4.43Å; H353-I367 WeakPolarHBondContact O-CA 3.45Å; Q354-I367 HydrophobicContact CB-CD1 3.94Å; Q354-I367 HydrophobicContact CG-CD1 3.8Å; L365-I367 HydrophobicContact CD1-CD1 4.39Å; L365-I367 HydrophobicContact CD2-CD1 3.9Å; L365-I367 HydrophobicContact CD2-CG1 4.02Å; L365-I367 HydrophobicContact CG-CD1 3.82Å; L365-I367 HydrophobicContact CG-CG1 3.99Å; I367-I529 HydrophobicContact CG2-CG2 4.26Å; I367-L532 HydrophobicContact CG2-CD2 3.84Å; I367-V533 HydrophobicContact CB-CG2 4.3Å; I367-V533 HydrophobicContact CG1-CG2 4.24Å; I367-V533 HydrophobicContact CG2-CG2 4.11Å; I367-F538 HydrophobicContact CD1-CZ 4.07Å
368	D	95.4	Very high	92.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.011	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127	178.6	-169.3	41.9	0	0	0	111.2	F352 H353 S370 R525 H862 R864	F352-D368 WeakPolarHBondContact CA-O 3.31Å; H353-D368 HydrophobicContact CB-CB 4.29Å; H353-D368 PolarHBondContact N-O 3.32Å; H353-D368 PolarHBondContact O-N 3.32Å; H353-D368 VanDerWaalsContact O-N 3.14Å; D368-S370 PolarHBondContact O-N 2.98Å; D368-R525 IonicContact OD1-CZ 2.67Å; D368-R525 IonicContact OD1-NH1 3.08Å; D368-R525 PolarHBondContact OD1-NH1 3.11Å; D368-R525 IonicContact OD1-NH2 3.57Å; D368-R525 PolarHBondContact OD1-NH2 3.11Å; D368-R525 IonicContact OD2-CZ 3.76Å; D368-R525 IonicContact OD2-NH1 2.72Å; D368-R525 IonicContact OD2-NH2 3.95Å; D368-R525 PolarHBondContact OD2-NH2 3.35Å; D368-H862 HydrophobicContact CB-CB 3.94Å; D368-H862 IonicContact OD2-ND1 3.28Å; D368-H862 PolarHBondContact OD2-ND1 3.48Å; D368-R864 WeakPolarHBondContact OD1-CG 3.3Å; D368-R864 IonicContact OD1-NE 3.72Å; D368-R864 IonicContact OD2-CZ 3.6Å; D368-R864 IonicContact OD2-NE 2.67Å; D368-R864 PolarHBondContact OD2-NE 3.42Å; D368-R864 IonicContact OD2-NH2 3.67Å; D368-R864 PolarHBondContact OD2-NH2 3.05Å
369	V	93	Very high	92.7	Very high	23 Å²	23	25.6 Å²	25.6	14%	0.139	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.8	179.4	-70.2	0	0	0	0	111.2	R525 E528 I529 L532	V369-R525 HydrophobicContact CG2-CG 3.5Å; V369-R525 VanDerWaalsContact CG2-CG 3.5Å; V369-R525 PolarHBondContact O-NH2 2.82Å; V369-E528 HydrophobicContact CG1-CB 4.1Å; V369-I529 HydrophobicContact CB-CG1 4.45Å; V369-I529 HydrophobicContact CG1-CG1 3.87Å; V369-I529 HydrophobicContact CG2-CG1 4.17Å; V369-L532 HydrophobicContact CG1-CD1 4.25Å
370	S	90.3	Very high	93	Very high	22 Å²	22	25.6 Å²	25.6	15%	0.154	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.9	-171.2	-147.5	0	0	0	0	110.7	G351 D368	G351-S370 PolarHBondContact N-O 3.01Å; G351-S370 PolarHBondContact O-N 3.01Å; D368-S370 PolarHBondContact O-N 2.98Å
371	A	91.8	Very high	93.4	Very high	24 Å²	24	25.1 Å²	25.1	20%	0.198	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.2	175	0	0	0	0	0	108.9	V348 W349 F350 M514 T518	V348-A371 HydrophobicContact CG1-CB 3.89Å; W349-A371 WeakPolarHBondContact O-CA 3.44Å; F350-A371 HydrophobicContact CD1-CB 4.01Å; F350-A371 HydrophobicContact CE1-CB 4.1Å; A371-M514 WeakPolarHBondContact O-CE 3.28Å; A371-T518 HydrophobicContact CB-CG2 3.32Å
372	T	93.2	Very high	94.3	Very high	19 Å²	19	20.2 Å²	20.2	12%	0.117	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	159.8	177.6	-155.3	0	0	0	0	111	F332 W349 F374	F332-T372 HydrophobicContact CD1-CG2 4.17Å; F332-T372 HydrophobicContact CD2-CG2 4.25Å; F332-T372 HydrophobicContact CE1-CG2 3.79Å; F332-T372 HydrophobicContact CE2-CG2 3.84Å; F332-T372 HydrophobicContact CG-CG2 4.4Å; F332-T372 HydrophobicContact CZ-CG2 3.61Å; W349-T372 PolarHBondContact N-O 2.86Å; W349-T372 PolarHBondContact O-N 3.08Å; W349-T372 VanDerWaalsContact O-N 3.09Å; T372-F374 HydrophobicContact CG2-CD2 3.83Å; T372-F374 HydrophobicContact CG2-CE2 3.4Å; T372-F374 HydrophobicContact CG2-CZ 4.41Å
373	A	94	Very high	94.7	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.033	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.8	-179.2	0	0	0	0	0	110.8	L342 E347 C502 L506	L342-A373 HydrophobicContact CD1-CB 3.85Å; E347-A373 CarbonylContact O-C 3.54Å; E347-A373 VanDerWaalsContact O-CA 3.27Å; E347-A373 WeakPolarHBondContact O-CA 3.43Å; A373-C502 HydrophobicContact CB-CB 3.89Å; A373-C502 WeakPolarHBondContact O-CB 3.42Å; A373-C502 PolarHBondContact O-N 2.74Å; A373-L506 HydrophobicContact CB-CD1 4.24Å; A373-L506 HydrophobicContact CB-CD2 3.9Å
374	F	95.1	Very high	94.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	164.5	170.4	-82.6	-106.4	0	0	0	109.6	T325 V327 F332 R346 E347 W349 T372 G499 Q500 R501	T325-F374 HydrophobicContact CG2-CE1 4.1Å; T325-F374 HydrophobicContact CG2-CZ 4.24Å; V327-F374 HydrophobicContact CG2-CZ 4.17Å; F332-F374 HydrophobicContact CB-CE2 3.93Å; F332-F374 HydrophobicContact CB-CZ 3.91Å; F332-F374 HydrophobicContact CD1-CE2 4.32Å; F332-F374 HydrophobicContact CD2-CE2 4.32Å; F332-F374 HydrophobicContact CD2-CZ 4.42Å; F332-F374 AromaticContact CG-CE2 3.94Å; F332-F374 HydrophobicContact CG-CE2 3.94Å; F332-F374 HydrophobicContact CG-CZ 4.23Å; R346-F374 VanDerWaalsContact CA-O 3.29Å; R346-F374 WeakPolarHBondContact CA-O 3.25Å; E347-F374 HydrophobicContact CG-CB 4.45Å; E347-F374 PolarHBondContact N-O 2.86Å; E347-F374 PolarHBondContact O-N 2.97Å; W349-F374 HydrophobicContact CB-CD2 3.47Å; W349-F374 VanDerWaalsContact CB-CD2 3.47Å; W349-F374 HydrophobicContact CB-CE2 3.75Å; W349-F374 HydrophobicContact CB-CG 4.2Å; W349-F374 AromaticContact CD1-CG 3.92Å; W349-F374 HydrophobicContact CD2-CB 3.96Å; W349-F374 AromaticContact CD2-CD1 3.74Å; W349-F374 HydrophobicContact CD2-CD1 3.74Å; W349-F374 AromaticContact CD2-CD2 3.65Å; W349-F374 HydrophobicContact CD2-CD2 3.65Å; W349-F374 HydrophobicContact CD2-CE1 4.1Å; W349-F374 AromaticContact CD2-CE2 3.97Å; W349-F374 HydrophobicContact CD2-CE2 3.97Å; W349-F374 AromaticContact CD2-CG 3.52Å; W349-F374 HydrophobicContact CD2-CG 3.52Å; W349-F374 HydrophobicContact CD2-CZ 4.2Å; W349-F374 AromaticContact CE2-CD1 3.95Å; W349-F374 AromaticContact CE2-CG 3.84Å; W349-F374 AromaticContact CE3-CD1 3.78Å; W349-F374 HydrophobicContact CE3-CD1 3.78Å; W349-F374 HydrophobicContact CE3-CD2 4.02Å; W349-F374 AromaticContact CE3-CE1 3.66Å; W349-F374 HydrophobicContact CE3-CE1 3.66Å; W349-F374 AromaticContact CE3-CE2 3.86Å; W349-F374 HydrophobicContact CE3-CE2 3.86Å; W349-F374 AromaticContact CE3-CG 3.98Å; W349-F374 HydrophobicContact CE3-CG 3.98Å; W349-F374 AromaticContact CE3-CZ 3.69Å; W349-F374 HydrophobicContact CE3-CZ 3.69Å; W349-F374 HydrophobicContact CG-CB 3.83Å; W349-F374 HydrophobicContact CG-CD1 4.32Å; W349-F374 AromaticContact CG-CD2 3.4Å; W349-F374 HydrophobicContact CG-CD2 3.4Å; W349-F374 VanDerWaalsContact CG-CD2 3.4Å; W349-F374 AromaticContact CG-CE2 3.95Å; W349-F374 HydrophobicContact CG-CE2 3.95Å; W349-F374 AromaticContact CG-CG 3.6Å; W349-F374 HydrophobicContact CG-CG 3.6Å; W349-F374 HydrophobicContact CH2-CD1 4.35Å; W349-F374 HydrophobicContact CZ2-CD1 4.25Å; W349-F374 HydrophobicContact CZ3-CD1 4.1Å; W349-F374 AromaticContact CZ3-CE1 3.9Å; W349-F374 HydrophobicContact CZ3-CE1 3.9Å; W349-F374 HydrophobicContact CZ3-CZ 4.28Å; T372-F374 HydrophobicContact CG2-CD2 3.83Å; T372-F374 HydrophobicContact CG2-CE2 3.4Å; T372-F374 HydrophobicContact CG2-CZ 4.41Å; F374-G499 WeakPolarHBondContact CE1-O 3.43Å; F374-Q500 CarbonylContact C-O 3.55Å; F374-Q500 WeakPolarHBondContact CA-O 3.08Å; F374-R501 HydrophobicContact CD1-CB 4.49Å; F374-R501 HydrophobicContact CE1-CB 4.19Å; F374-R501 HydrophobicContact CZ-CB 4.29Å
375	Y	95.2	Very high	94.7	Very high	3 Å²	3	15.7 Å²	15.7	1%	0.012	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.2	167.9	-68.7	-75.8	0	0	0	109.7	G345 R346 F383 L415 Q500 C502 K504	G345-Y375 WeakPolarHBondContact O-CA 3.29Å; R346-Y375 HydrophobicContact CG-CD1 4.11Å; R346-Y375 HydrophobicContact CG-CE1 4.13Å; Y375-F383 AromaticContact CD1-CE2 3.79Å; Y375-F383 HydrophobicContact CD1-CE2 3.79Å; Y375-F383 HydrophobicContact CD1-CZ 4.37Å; Y375-F383 HydrophobicContact CE1-CE2 4.11Å; Y375-F383 HydrophobicContact CE1-CZ 4.29Å; Y375-L415 HydrophobicContact CD1-CD1 3.98Å; Y375-L415 HydrophobicContact CD2-CD1 4.14Å; Y375-L415 HydrophobicContact CD2-CD2 3.9Å; Y375-L415 HydrophobicContact CE1-CD1 3.72Å; Y375-L415 HydrophobicContact CE2-CD1 3.91Å; Y375-L415 HydrophobicContact CE2-CD2 3.35Å; Y375-L415 HydrophobicContact CE2-CG 4.3Å; Y375-L415 HydrophobicContact CG-CD1 4.16Å; Y375-Q500 HydrophobicContact CD2-CB 4.2Å; Y375-Q500 WeakPolarHBondContact CD2-O 3.1Å; Y375-Q500 PolarHBondContact N-O 2.88Å; Y375-C502 HydrophobicContact CD2-CB 4.3Å; Y375-C502 HydrophobicContact CE2-CB 3.96Å; Y375-K504 WeakPolarHBondContact OH-CD 3.29Å
376	K	94.5	Very high	94.6	Very high	35 Å²	35	17.9 Å²	17.9	15%	0.152	11%	0.11	C	C	.	.			trans	-62.5	143.3	-180	-68.9	173.9	72.8	-148.6	0	111.1	G345 E347 Q378 E386 M496	G345-K376 PolarHBondContact O-N 2.8Å; E347-K376 HydrophobicContact CB-CG 3.84Å; E347-K376 HydrophobicContact CG-CG 3.74Å; K376-Q378 HydrophobicContact CB-CG 4.28Å; K376-Q378 VanDerWaalsContact CB-OE1 3.23Å; K376-Q378 PolarHBondContact O-N 3.26Å; K376-E386 IonicContact NZ-OE1 2.77Å; K376-E386 PolarHBondContact NZ-OE1 2.86Å; K376-M496 WeakPolarHBondContact O-CB 3.36Å
377	A	93.4	Very high	94.5	Very high	63 Å²	63	18.1 Å²	18.1	52%	0.521	11%	0.111	S	C	.	.	S	Bend	trans	-82.7	88	172.1	0	0	0	0	0	110.3	A498	A377-A498 HydrophobicContact CB-CB 3.9Å
378	Q	94.6	Very high	94.4	Very high	25 Å²	25	18.9 Å²	18.9	12%	0.117	12%	0.115	C	C	.	.	S	Bend	trans	-143.2	175.6	-176.1	67.4	-164.5	34.3	0	0	111.6	K376 D382 F383 E386 M496	K376-Q378 HydrophobicContact CB-CG 4.28Å; K376-Q378 VanDerWaalsContact CB-OE1 3.23Å; K376-Q378 PolarHBondContact O-N 3.26Å; Q378-D382 HydrophobicContact CG-CB 4.3Å; Q378-F383 HydrophobicContact CG-CB 4.38Å; Q378-E386 PolarHBondContact NE2-OE1 3.22Å; Q378-E386 PolarHBondContact OE1-OE1 3.18Å; Q378-M496 WeakPolarHBondContact O-CB 3.29Å; Q378-M496 PolarHBondContact O-N 2.85Å
379	S	96.1	Very high	94.1	Very high	26 Å²	26	24.9 Å²	24.9	18%	0.182	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-65.4	154.7	175.8	84.4	0	0	0	0	111.3	I381 D382 F383	S379-I381 PolarHBondContact O-N 2.88Å; S379-I381 PolarHBondContact OG-N 3.22Å; S379-D382 VanDerWaalsContact CB-OD2 3.31Å; S379-D382 WeakPolarHBondContact CB-OD2 3.48Å; S379-D382 PolarHBondContact O-N 3.28Å; S379-D382 PolarHBondContact OG-N 3.14Å; S379-D382 VanDerWaalsContact OG-N 3.08Å; S379-D382 PolarHBondContact OG-OD2 3.44Å; S379-F383 WeakPolarHBondContact O-CB 3.45Å; S379-F383 PolarHBondContact O-N 2.89Å
380	V	97.2	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-23.1	174.9	171.4	0	0	0	0	111.7	M384 F408 I412 V417 L478 L491 C494 M496	V380-M384 VanDerWaalsContact O-CB 3.32Å; V380-M384 WeakPolarHBondContact O-CB 3.29Å; V380-M384 PolarHBondContact O-N 2.83Å; V380-F408 HydrophobicContact CG1-CE2 4.48Å; V380-F408 HydrophobicContact CG1-CZ 3.92Å; V380-I412 HydrophobicContact CG1-CD1 3.63Å; V380-I412 HydrophobicContact CG2-CD1 4.2Å; V380-V417 HydrophobicContact CG2-CG1 3.74Å; V380-L478 HydrophobicContact CG1-CD1 4.21Å; V380-L478 HydrophobicContact CG1-CD2 4.39Å; V380-L478 HydrophobicContact CG2-CD1 4.25Å; V380-L491 HydrophobicContact CG1-CB 4.05Å; V380-L491 HydrophobicContact CG1-CD2 3.99Å; V380-L491 HydrophobicContact CG1-CG 4.43Å; V380-C494 HydrophobicContact CB-CB 4.14Å; V380-C494 HydrophobicContact CG2-CB 3.66Å; V380-C494 WeakPolarHBondContact CG2-O 3.28Å; V380-C494 PolarHBondContact N-O 2.86Å; V380-M496 HydrophobicContact CG2-CG 4.3Å; V380-M496 HydrophobicContact CG2-SD 3.91Å
381	I	95.5	Very high	93.5	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-51.4	170.6	-61.8	-68.8	0	0	0	110.3	S379 F383 M384 C385 K393 Y472 L475 L491 E492	S379-I381 PolarHBondContact O-N 2.88Å; S379-I381 PolarHBondContact OG-N 3.22Å; I381-F383 VanDerWaalsContact C-N 3.32Å; I381-F383 PolarHBondContact O-N 3.5Å; I381-M384 WeakPolarHBondContact O-CA 3.48Å; I381-M384 WeakPolarHBondContact O-CB 3.39Å; I381-M384 PolarHBondContact O-N 2.85Å; I381-C385 PolarHBondContact O-N 3.31Å; I381-K393 HydrophobicContact CG2-CB 3.99Å; I381-K393 HydrophobicContact CG2-CD 4.17Å; I381-Y472 HydrophobicContact CD1-CD2 4.01Å; I381-Y472 HydrophobicContact CD1-CE2 4.47Å; I381-Y472 HydrophobicContact CD1-CG 4.22Å; I381-Y472 HydrophobicContact CG1-CD2 4.43Å; I381-L475 HydrophobicContact CD1-CD1 3.64Å; I381-L491 HydrophobicContact CD1-CB 3.63Å; I381-L491 HydrophobicContact CD1-CD1 4.42Å; I381-L491 HydrophobicContact CG1-CB 4.32Å; I381-E492 HydrophobicContact CD1-CB 4.48Å; I381-E492 HydrophobicContact CG1-CB 4.25Å
382	D	94.7	Very high	92.9	Very high	62 Å²	62	31.6 Å²	31.6	33%	0.332	19%	0.186	S	C	.	.	H	α-helix	trans	-66.8	-36.6	-179.2	-48.4	-52.4	0	0	0	111.1	Q378 S379 C385 E386	Q378-D382 HydrophobicContact CG-CB 4.3Å; S379-D382 VanDerWaalsContact CB-OD2 3.31Å; S379-D382 WeakPolarHBondContact CB-OD2 3.48Å; S379-D382 PolarHBondContact O-N 3.28Å; S379-D382 PolarHBondContact OG-N 3.14Å; S379-D382 VanDerWaalsContact OG-N 3.08Å; S379-D382 PolarHBondContact OG-OD2 3.44Å; D382-C385 PolarHBondContact O-N 3.18Å; D382-E386 PolarHBondContact O-N 3.35Å
383	F	96.4	Very high	92.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-40.3	170.1	-179.3	-93.4	0	0	0	112.5	Y375 Q378 S379 I381 V387 F408 E411 I412 L415 M496	Y375-F383 AromaticContact CD1-CE2 3.79Å; Y375-F383 HydrophobicContact CD1-CE2 3.79Å; Y375-F383 HydrophobicContact CD1-CZ 4.37Å; Y375-F383 HydrophobicContact CE1-CE2 4.11Å; Y375-F383 HydrophobicContact CE1-CZ 4.29Å; Q378-F383 HydrophobicContact CG-CB 4.38Å; S379-F383 WeakPolarHBondContact O-CB 3.45Å; S379-F383 PolarHBondContact O-N 2.89Å; I381-F383 VanDerWaalsContact C-N 3.32Å; I381-F383 PolarHBondContact O-N 3.5Å; F383-V387 HydrophobicContact CD1-CG2 4.29Å; F383-V387 HydrophobicContact CE1-CG2 3.82Å; F383-V387 HydrophobicContact CE2-CG2 4.1Å; F383-V387 HydrophobicContact CZ-CG2 3.71Å; F383-V387 VanDerWaalsContact O-CB 3.31Å; F383-V387 WeakPolarHBondContact O-CB 3.36Å; F383-V387 VanDerWaalsContact O-CG2 3.26Å; F383-V387 WeakPolarHBondContact O-CG2 3.34Å; F383-V387 PolarHBondContact O-N 2.8Å; F383-F408 HydrophobicContact CD1-CE2 4.01Å; F383-F408 HydrophobicContact CE1-CE2 4.31Å; F383-E411 HydrophobicContact CZ-CB 4.34Å; F383-I412 HydrophobicContact CD1-CD1 4.13Å; F383-I412 HydrophobicContact CE1-CB 3.95Å; F383-I412 HydrophobicContact CE1-CD1 4.24Å; F383-I412 HydrophobicContact CE1-CG1 4.17Å; F383-L415 HydrophobicContact CZ-CD1 4.08Å; F383-M496 HydrophobicContact CB-CG 4.05Å; F383-M496 HydrophobicContact CD1-SD 4.37Å; F383-M496 HydrophobicContact CD2-CE 4.25Å; F383-M496 HydrophobicContact CD2-CG 4.25Å; F383-M496 HydrophobicContact CD2-SD 4.43Å; F383-M496 HydrophobicContact CE2-CE 4.26Å; F383-M496 HydrophobicContact CG-CG 4.14Å; F383-M496 HydrophobicContact CG-SD 4.18Å
384	M	95.8	Very high	91.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-46.5	173.9	-176.5	-167.1	69.2	0	0	111	V380 I381 V387 L388 Q396 L400 F408 L475 L491	V380-M384 VanDerWaalsContact O-CB 3.32Å; V380-M384 WeakPolarHBondContact O-CB 3.29Å; V380-M384 PolarHBondContact O-N 2.83Å; I381-M384 WeakPolarHBondContact O-CA 3.48Å; I381-M384 WeakPolarHBondContact O-CB 3.39Å; I381-M384 PolarHBondContact O-N 2.85Å; M384-V387 PolarHBondContact O-N 3.26Å; M384-L388 HydrophobicContact CG-CD1 3.7Å; M384-L388 HydrophobicContact CG-CG 4.16Å; M384-L388 WeakPolarHBondContact O-CB 3.27Å; M384-L388 WeakPolarHBondContact O-CG 3.2Å; M384-L388 PolarHBondContact O-N 3.22Å; M384-L388 HydrophobicContact SD-CD1 4.27Å; M384-Q396 HydrophobicContact CE-CG 4.13Å; M384-L400 HydrophobicContact SD-CD1 3.96Å; M384-L400 HydrophobicContact SD-CD2 4.07Å; M384-L400 HydrophobicContact SD-CG 4.45Å; M384-F408 HydrophobicContact CB-CD2 3.96Å; M384-F408 HydrophobicContact CB-CE2 3.58Å; M384-F408 HydrophobicContact CB-CZ 4.2Å; M384-F408 HydrophobicContact CG-CD2 3.83Å; M384-F408 HydrophobicContact CG-CE2 3.87Å; M384-F408 HydrophobicContact CG-CG 4.31Å; M384-F408 HydrophobicContact CG-CZ 4.39Å; M384-L475 HydrophobicContact CE-CD1 3.73Å; M384-L475 HydrophobicContact CE-CD2 4.21Å; M384-L475 HydrophobicContact SD-CD1 4.17Å; M384-L475 HydrophobicContact SD-CD2 4.23Å; M384-L491 HydrophobicContact SD-CD1 3.73Å
385	C	94.3	Very high	90.1	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.081	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-48.4	178.4	-70.7	0	0	0	0	111.9	I381 D382 V387 L388 D389 I390	I381-C385 PolarHBondContact O-N 3.31Å; D382-C385 PolarHBondContact O-N 3.18Å; C385-V387 VanDerWaalsContact C-N 3.29Å; C385-V387 PolarHBondContact O-N 2.74Å; C385-L388 PolarHBondContact O-N 3.38Å; C385-D389 PolarHBondContact O-N 2.99Å; C385-I390 HydrophobicContact CB-CB 4.2Å; C385-I390 PolarHBondContact O-N 3.04Å
386	E	94	Very high	88.9	Confident	46 Å²	46	45.7 Å²	45.7	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-34.5	174.8	-84.1	-162.2	-119.5	0	0	113.4	G343 G344 G345 K376 Q378 D382	G343-E386 WeakPolarHBondContact CA-OE2 3.5Å; G344-E386 WeakPolarHBondContact CA-O 3.18Å; G344-E386 PolarHBondContact N-OE2 2.81Å; G345-E386 WeakPolarHBondContact CA-OE2 3.4Å; G345-E386 PolarHBondContact N-OE2 2.88Å; K376-E386 IonicContact NZ-OE1 2.77Å; K376-E386 PolarHBondContact NZ-OE1 2.86Å; Q378-E386 PolarHBondContact NE2-OE1 3.22Å; Q378-E386 PolarHBondContact OE1-OE1 3.18Å; D382-E386 PolarHBondContact O-N 3.35Å
387	V	93.9	Very high	88.1	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-79.4	-28.9	179.3	163.9	0	0	0	0	112.5	F383 M384 C385 K407 F408 E411	F383-V387 HydrophobicContact CD1-CG2 4.29Å; F383-V387 HydrophobicContact CE1-CG2 3.82Å; F383-V387 HydrophobicContact CE2-CG2 4.1Å; F383-V387 HydrophobicContact CZ-CG2 3.71Å; F383-V387 VanDerWaalsContact O-CB 3.31Å; F383-V387 WeakPolarHBondContact O-CB 3.36Å; F383-V387 VanDerWaalsContact O-CG2 3.26Å; F383-V387 WeakPolarHBondContact O-CG2 3.34Å; F383-V387 PolarHBondContact O-N 2.8Å; M384-V387 PolarHBondContact O-N 3.26Å; C385-V387 VanDerWaalsContact C-N 3.29Å; C385-V387 PolarHBondContact O-N 2.74Å; V387-K407 WeakPolarHBondContact O-CE 2.69Å; V387-K407 PolarHBondContact O-NZ 3.29Å; V387-F408 HydrophobicContact CG1-CD2 4.49Å; V387-E411 HydrophobicContact CG1-CB 3.87Å; V387-E411 HydrophobicContact CG1-CG 3.9Å; V387-E411 HydrophobicContact CG2-CB 4.11Å; V387-E411 HydrophobicContact CG2-CG 4.32Å
388	L	93.4	Very high	87.6	Confident	16 Å²	16	60 Å²	60	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-94.9	-5.2	-179.3	-64.9	-172.4	0	0	0	113.8	M384 C385 I390 L400 Q404 K407 F408	M384-L388 HydrophobicContact CG-CD1 3.7Å; M384-L388 HydrophobicContact CG-CG 4.16Å; M384-L388 WeakPolarHBondContact O-CB 3.27Å; M384-L388 WeakPolarHBondContact O-CG 3.2Å; M384-L388 PolarHBondContact O-N 3.22Å; M384-L388 HydrophobicContact SD-CD1 4.27Å; C385-L388 PolarHBondContact O-N 3.38Å; L388-I390 HydrophobicContact CB-CD1 3.61Å; L388-I390 HydrophobicContact CB-CG1 3.79Å; L388-I390 HydrophobicContact CD1-CD1 3.85Å; L388-I390 HydrophobicContact CG-CD1 4.35Å; L388-L400 HydrophobicContact CD1-CD1 4.2Å; L388-L400 HydrophobicContact CD1-CD2 3.59Å; L388-Q404 HydrophobicContact CD1-CB 4.1Å; L388-Q404 HydrophobicContact CD1-CG 4.46Å; L388-Q404 HydrophobicContact CD2-CB 3.98Å; L388-Q404 HydrophobicContact CD2-CG 4.31Å; L388-Q404 WeakPolarHBondContact CD2-O 3.37Å; L388-K407 HydrophobicContact CD2-CB 4.14Å; L388-K407 HydrophobicContact CD2-CD 3.94Å; L388-K407 HydrophobicContact CD2-CG 4.33Å; L388-F408 HydrophobicContact CD2-CB 4.19Å
389	D	90.4	Very high	87.4	Confident	129 Å²	129	62.5 Å²	62.5	69%	0.69	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	40.8	-175.1	-49.3	-78.1	0	0	0	111.9	C385 K407	C385-D389 PolarHBondContact O-N 2.99Å; D389-K407 IonicContact OD2-NZ 3.04Å; D389-K407 PolarHBondContact OD2-NZ 3.19Å
390	I	88.9	Confident	87.2	Confident	28 Å²	28	62.2 Å²	62.2	14%	0.144	31%	0.306	C	S	.	.			trans	-93.4	128	178.9	-60.9	164.6	0	0	0	109.7	C385 L388 D392 Q396	C385-I390 HydrophobicContact CB-CB 4.2Å; C385-I390 PolarHBondContact O-N 3.04Å; L388-I390 HydrophobicContact CB-CD1 3.61Å; L388-I390 HydrophobicContact CB-CG1 3.79Å; L388-I390 HydrophobicContact CD1-CD1 3.85Å; L388-I390 HydrophobicContact CG-CD1 4.35Å; I390-D392 WeakPolarHBondContact CG2-O 3.33Å; I390-Q396 HydrophobicContact CD1-CG 4.18Å; I390-Q396 VanDerWaalsContact CD1-OE1 3.26Å
391	S	81.5	Confident	87	Confident	116 Å²	116	66 Å²	66	81%	0.811	33%	0.329	S	S	*	.	S	Bend	trans	-70.4	-51.1	-175.8	-51.7	0	0	0	0	113.4
392	D	79.2	Confident	86.9	Confident	65 Å²	65	68.9 Å²	68.9	35%	0.348	35%	0.345	S	S	.	.			trans	-127.9	132.2	176.7	-179.2	7.6	0	0	0	110.9	I390 N394 E395	I390-D392 WeakPolarHBondContact CG2-O 3.33Å; D392-N394 VanDerWaalsContact CG-ND2 3.31Å; D392-N394 PolarHBondContact O-N 2.96Å; D392-N394 PolarHBondContact OD1-N 2.8Å; D392-N394 PolarHBondContact OD1-ND2 2.95Å; D392-N394 WeakPolarHBondContact OD2-CB 3.2Å; D392-N394 PolarHBondContact OD2-ND2 3.01Å; D392-E395 HydrophobicContact CB-CG 4.14Å; D392-E395 PolarHBondContact N-OE2 2.61Å; D392-E395 WeakPolarHBondContact O-CB 3.12Å; D392-E395 PolarHBondContact O-N 3.17Å; D392-E395 VanDerWaalsContact O-N 3.11Å
393	K	77.7	Confident	86.8	Confident	87 Å²	87	70.6 Å²	70.6	38%	0.378	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.2	172.1	62.5	-176	179.9	-177.4	0	113.1	I381 E395 Q396	I381-K393 HydrophobicContact CG2-CB 3.99Å; I381-K393 HydrophobicContact CG2-CD 4.17Å; K393-E395 VanDerWaalsContact C-N 3.35Å; K393-Q396 PolarHBondContact O-N 2.98Å
394	N	75.3	Confident	86.7	Confident	81 Å²	81	73.1 Å²	73.1	43%	0.433	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.4	178.2	-49.6	-50.8	0	0	0	113.9	D392 R397	D392-N394 VanDerWaalsContact CG-ND2 3.31Å; D392-N394 PolarHBondContact O-N 2.96Å; D392-N394 PolarHBondContact OD1-N 2.8Å; D392-N394 PolarHBondContact OD1-ND2 2.95Å; D392-N394 WeakPolarHBondContact OD2-CB 3.2Å; D392-N394 PolarHBondContact OD2-ND2 3.01Å; N394-R397 VanDerWaalsContact O-CG 3.29Å; N394-R397 WeakPolarHBondContact O-CG 3.34Å; N394-R397 PolarHBondContact O-NE 2.66Å; N394-R397 VanDerWaalsContact O-NE 3.09Å
395	E	69.7	Low	86.7	Confident	132 Å²	132	75.2 Å²	75.2	62%	0.617	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-29.6	171.2	-66.7	176.6	140.3	0	0	111.2	D392 K393 R397	D392-E395 HydrophobicContact CB-CG 4.14Å; D392-E395 PolarHBondContact N-OE2 2.61Å; D392-E395 WeakPolarHBondContact O-CB 3.12Å; D392-E395 PolarHBondContact O-N 3.17Å; D392-E395 VanDerWaalsContact O-N 3.11Å; K393-E395 VanDerWaalsContact C-N 3.35Å; E395-R397 PolarHBondContact O-N 3.25Å
396	Q	71.3	Confident	86.8	Confident	22 Å²	22	77.3 Å²	77.3	10%	0.103	39%	0.393	C	S	.	.			trans	-77.7	60.3	-175.9	-167.8	57.4	59.6	0	0	112.1	M384 I390 K393 R398 L400 H474 L475	M384-Q396 HydrophobicContact CE-CG 4.13Å; I390-Q396 HydrophobicContact CD1-CG 4.18Å; I390-Q396 VanDerWaalsContact CD1-OE1 3.26Å; K393-Q396 PolarHBondContact O-N 2.98Å; Q396-R398 PolarHBondContact NE2-O 3.21Å; Q396-L400 HydrophobicContact CG-CD2 4.5Å; Q396-H474 PolarHBondContact O-NE2 2.63Å; Q396-L475 HydrophobicContact CG-CD2 4.15Å
397	R	76.8	Confident	86.8	Confident	198 Å²	198	79.1 Å²	79.1	75%	0.747	40%	0.401	S	S	*	.			trans	-88.8	4.8	177.8	-56.7	-170.2	178.7	-147	-1.6	114.6	N394 E395	N394-R397 VanDerWaalsContact O-CG 3.29Å; N394-R397 WeakPolarHBondContact O-CG 3.34Å; N394-R397 PolarHBondContact O-NE 2.66Å; N394-R397 VanDerWaalsContact O-NE 3.09Å; E395-R397 PolarHBondContact O-N 3.25Å
398	R	83.7	Confident	86.9	Confident	200 Å²	200	78.8 Å²	78.8	76%	0.755	40%	0.399	S	S	*	.	S	Bend	trans	-117.1	153.5	-179.9	-64.4	-175.7	-179.6	-173.7	0.5	110.3	Q396 H474	Q396-R398 PolarHBondContact NE2-O 3.21Å; R398-H474 PolarHBondContact O-CD2 3.17Å
399	P	88.7	Confident	87.1	Confident	79 Å²	79	78.9 Å²	78.9	51%	0.513	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-55.7	149.3	168.2	-23.9	34.3	0	0	0	111.8	H474	P399-H474 WeakPolarHBondContact CA-O 3.47Å; P399-H474 HydrophobicContact CG-CB 4.34Å
400	L	91.9	Very high	87.2	Confident	19 Å²	19	80 Å²	80	10%	0.099	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-64.4	135.8	175.4	-60.2	-177.1	0	0	0	110.5	M384 L388 Q396 Q404 R405 L475 P476	M384-L400 HydrophobicContact SD-CD1 3.96Å; M384-L400 HydrophobicContact SD-CD2 4.07Å; M384-L400 HydrophobicContact SD-CG 4.45Å; L388-L400 HydrophobicContact CD1-CD1 4.2Å; L388-L400 HydrophobicContact CD1-CD2 3.59Å; Q396-L400 HydrophobicContact CG-CD2 4.5Å; L400-Q404 HydrophobicContact CB-CB 4.24Å; L400-Q404 HydrophobicContact CD2-CB 4.49Å; L400-R405 HydrophobicContact CB-CB 4.27Å; L400-L475 HydrophobicContact CD2-CD2 4.21Å; L400-L475 HydrophobicContact CG-CD2 4.2Å; L400-P476 HydrophobicContact CD1-CG 4.1Å
401	T	93.2	Very high	87.5	Confident	79 Å²	79	80.8 Å²	80.8	49%	0.485	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-59.7	152.7	166.8	60.5	0	0	0	0	110.4	S403 Q404 R405	T401-S403 PolarHBondContact O-N 3.09Å; T401-S403 VanDerWaalsContact O-N 3.12Å; T401-Q404 PolarHBondContact O-N 2.89Å; T401-Q404 WeakPolarHBondContact OG1-CB 3.49Å; T401-Q404 VanDerWaalsContact OG1-CG 3.31Å; T401-Q404 WeakPolarHBondContact OG1-CG 3.39Å; T401-Q404 PolarHBondContact OG1-N 3.21Å; T401-Q404 PolarHBondContact OG1-OE1 3.47Å; T401-R405 WeakPolarHBondContact O-CB 3.49Å; T401-R405 PolarHBondContact O-N 2.81Å
402	D	93.2	Very high	88.2	Confident	68 Å²	68	75.3 Å²	75.3	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-58.3	-30.1	179.7	-99.9	-40.7	0	0	0	112.4	R405 V406 R436	D402-R405 IonicContact OD1-CZ 3.76Å; D402-R405 IonicContact OD1-NE 3.34Å; D402-R405 PolarHBondContact OD1-NE 2.84Å; D402-R405 IonicContact OD1-NH2 3.34Å; D402-R405 PolarHBondContact OD1-NH2 2.88Å; D402-V406 WeakPolarHBondContact O-CB 3.46Å; D402-V406 VanDerWaalsContact O-CG2 3.24Å; D402-V406 WeakPolarHBondContact O-CG2 3.38Å; D402-V406 PolarHBondContact O-N 2.86Å; D402-R436 IonicContact OD1-NE 2.73Å; D402-R436 IonicContact OD2-CZ 3.07Å; D402-R436 IonicContact OD2-NE 3.43Å; D402-R436 PolarHBondContact OD2-NE 3.44Å; D402-R436 IonicContact OD2-NH2 2.8Å; D402-R436 PolarHBondContact OD2-NH2 2.98Å
403	S	93.8	Very high	88.9	Confident	97 Å²	97	76.1 Å²	76.1	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-66.3	-50.2	172.2	-175.8	0	0	0	0	112.9	T401 R405 V406 K407	T401-S403 PolarHBondContact O-N 3.09Å; T401-S403 VanDerWaalsContact O-N 3.12Å; S403-R405 PolarHBondContact O-N 3.29Å; S403-V406 PolarHBondContact O-N 2.69Å; S403-K407 PolarHBondContact O-N 3.27Å
404	Q	94.6	Very high	89.6	Confident	54 Å²	54	73.5 Å²	73.5	25%	0.252	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-45.6	174.1	-75	164.8	-51.8	0	0	111.3	L388 L400 T401 V406 K407 F408	L388-Q404 HydrophobicContact CD1-CB 4.1Å; L388-Q404 HydrophobicContact CD1-CG 4.46Å; L388-Q404 HydrophobicContact CD2-CB 3.98Å; L388-Q404 HydrophobicContact CD2-CG 4.31Å; L388-Q404 WeakPolarHBondContact CD2-O 3.37Å; L400-Q404 HydrophobicContact CB-CB 4.24Å; L400-Q404 HydrophobicContact CD2-CB 4.49Å; T401-Q404 PolarHBondContact O-N 2.89Å; T401-Q404 WeakPolarHBondContact OG1-CB 3.49Å; T401-Q404 VanDerWaalsContact OG1-CG 3.31Å; T401-Q404 WeakPolarHBondContact OG1-CG 3.39Å; T401-Q404 PolarHBondContact OG1-N 3.21Å; T401-Q404 PolarHBondContact OG1-OE1 3.47Å; Q404-V406 VanDerWaalsContact C-N 3.29Å; Q404-V406 PolarHBondContact O-N 2.64Å; Q404-K407 WeakPolarHBondContact O-CB 3.38Å; Q404-K407 PolarHBondContact O-N 3.04Å; Q404-K407 VanDerWaalsContact O-N 3.16Å; Q404-F408 WeakPolarHBondContact O-CB 3.39Å; Q404-F408 PolarHBondContact O-N 2.82Å
405	R	95.6	Very high	90.6	Very high	44 Å²	44	70.3 Å²	70.3	17%	0.166	35%	0.345	C	S	.	.	H	α-helix	trans	-57.2	-43.1	176.7	-170.7	-176.1	65.2	76.9	3.3	111	L400 T401 D402 S403 T409 T435	L400-R405 HydrophobicContact CB-CB 4.27Å; T401-R405 WeakPolarHBondContact O-CB 3.49Å; T401-R405 PolarHBondContact O-N 2.81Å; D402-R405 IonicContact OD1-CZ 3.76Å; D402-R405 IonicContact OD1-NE 3.34Å; D402-R405 PolarHBondContact OD1-NE 2.84Å; D402-R405 IonicContact OD1-NH2 3.34Å; D402-R405 PolarHBondContact OD1-NH2 2.88Å; S403-R405 PolarHBondContact O-N 3.29Å; R405-T409 VanDerWaalsContact O-CB 3.29Å; R405-T409 WeakPolarHBondContact O-CB 3.23Å; R405-T409 PolarHBondContact O-N 3.1Å; R405-T409 PolarHBondContact O-OG1 3.4Å; R405-T435 WeakPolarHBondContact CD-O 3.39Å
406	V	95.8	Very high	91.9	Very high	56 Å²	56	67.5 Å²	67.5	34%	0.339	33%	0.33	S	S	.	.	H	α-helix	trans	-69.2	-39.6	175.8	168.3	0	0	0	0	112.5	D402 S403 Q404 T409 K410	D402-V406 WeakPolarHBondContact O-CB 3.46Å; D402-V406 VanDerWaalsContact O-CG2 3.24Å; D402-V406 WeakPolarHBondContact O-CG2 3.38Å; D402-V406 PolarHBondContact O-N 2.86Å; S403-V406 PolarHBondContact O-N 2.69Å; Q404-V406 VanDerWaalsContact C-N 3.29Å; Q404-V406 PolarHBondContact O-N 2.64Å; V406-T409 PolarHBondContact O-N 2.9Å; V406-K410 HydrophobicContact CG1-CD 4.04Å; V406-K410 HydrophobicContact CG1-CG 4.44Å; V406-K410 WeakPolarHBondContact O-CB 3.34Å; V406-K410 VanDerWaalsContact O-CG 3.29Å; V406-K410 WeakPolarHBondContact O-CG 3.16Å; V406-K410 PolarHBondContact O-N 2.97Å
407	K	94.8	Very high	93.1	Very high	84 Å²	84	66.5 Å²	66.5	37%	0.365	33%	0.325	S	S	.	.	H	α-helix	trans	-57.8	-51.2	173.1	-170.5	-172.9	-177.3	-152.3	0	110.5	V387 L388 D389 S403 Q404 K410 E411	V387-K407 WeakPolarHBondContact O-CE 2.69Å; V387-K407 PolarHBondContact O-NZ 3.29Å; L388-K407 HydrophobicContact CD2-CB 4.14Å; L388-K407 HydrophobicContact CD2-CD 3.94Å; L388-K407 HydrophobicContact CD2-CG 4.33Å; D389-K407 IonicContact OD2-NZ 3.04Å; D389-K407 PolarHBondContact OD2-NZ 3.19Å; S403-K407 PolarHBondContact O-N 3.27Å; Q404-K407 WeakPolarHBondContact O-CB 3.38Å; Q404-K407 PolarHBondContact O-N 3.04Å; Q404-K407 VanDerWaalsContact O-N 3.16Å; K407-K410 PolarHBondContact O-N 2.86Å; K407-E411 PolarHBondContact O-N 3.4Å
408	F	96.4	Very high	94	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-47.4	177	177.2	-114.4	0	0	0	112.5	V380 F383 M384 V387 L388 Q404 K410 E411 I412 V434 L478 L491	V380-F408 HydrophobicContact CG1-CE2 4.48Å; V380-F408 HydrophobicContact CG1-CZ 3.92Å; F383-F408 HydrophobicContact CD1-CE2 4.01Å; F383-F408 HydrophobicContact CE1-CE2 4.31Å; M384-F408 HydrophobicContact CB-CD2 3.96Å; M384-F408 HydrophobicContact CB-CE2 3.58Å; M384-F408 HydrophobicContact CB-CZ 4.2Å; M384-F408 HydrophobicContact CG-CD2 3.83Å; M384-F408 HydrophobicContact CG-CE2 3.87Å; M384-F408 HydrophobicContact CG-CG 4.31Å; M384-F408 HydrophobicContact CG-CZ 4.39Å; V387-F408 HydrophobicContact CG1-CD2 4.49Å; L388-F408 HydrophobicContact CD2-CB 4.19Å; Q404-F408 WeakPolarHBondContact O-CB 3.39Å; Q404-F408 PolarHBondContact O-N 2.82Å; F408-K410 VanDerWaalsContact C-N 3.33Å; F408-K410 PolarHBondContact O-N 3.18Å; F408-E411 PolarHBondContact O-N 2.98Å; F408-I412 HydrophobicContact CD1-CG2 4.31Å; F408-I412 HydrophobicContact CE1-CG2 4.02Å; F408-I412 HydrophobicContact CE2-CB 4.34Å; F408-I412 HydrophobicContact CE2-CD1 4.08Å; F408-I412 HydrophobicContact CE2-CG2 4.37Å; F408-I412 HydrophobicContact CZ-CB 4.37Å; F408-I412 HydrophobicContact CZ-CD1 3.77Å; F408-I412 HydrophobicContact CZ-CG2 4.06Å; F408-I412 PolarHBondContact O-N 3.21Å; F408-V434 HydrophobicContact CD1-CG1 4.09Å; F408-V434 HydrophobicContact CD1-CG2 3.98Å; F408-V434 HydrophobicContact CE1-CG1 4.04Å; F408-V434 HydrophobicContact CE1-CG2 3.87Å; F408-L478 HydrophobicContact CE1-CD2 4.26Å; F408-L478 HydrophobicContact CZ-CD2 4.32Å; F408-L491 HydrophobicContact CE1-CD1 4.27Å; F408-L491 HydrophobicContact CE1-CD2 4.23Å; F408-L491 HydrophobicContact CZ-CD1 4.2Å; F408-L491 HydrophobicContact CZ-CD2 4.26Å
409	T	96.3	Very high	94.5	Very high	18 Å²	18	49.5 Å²	49.5	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-43.4	178.2	-54	0	0	0	0	111.6	R405 V406 E411 K413 V434	R405-T409 VanDerWaalsContact O-CB 3.29Å; R405-T409 WeakPolarHBondContact O-CB 3.23Å; R405-T409 PolarHBondContact O-N 3.1Å; R405-T409 PolarHBondContact O-OG1 3.4Å; V406-T409 PolarHBondContact O-N 2.9Å; T409-E411 PolarHBondContact O-N 2.99Å; T409-K413 WeakPolarHBondContact O-CB 3.4Å; T409-K413 PolarHBondContact O-N 3.36Å; T409-V434 HydrophobicContact CG2-CB 4.36Å; T409-V434 HydrophobicContact CG2-CG2 4.27Å; T409-V434 WeakPolarHBondContact OG1-CB 3.49Å
410	K	93.1	Very high	94.7	Very high	152 Å²	152	47.8 Å²	47.8	66%	0.661	25%	0.251	S	S	*	.	H	α-helix	trans	-60.4	-30.8	176.2	-77.5	174.1	177.5	177.2	0	112.2	V406 K407 F408 K504	V406-K410 HydrophobicContact CG1-CD 4.04Å; V406-K410 HydrophobicContact CG1-CG 4.44Å; V406-K410 WeakPolarHBondContact O-CB 3.34Å; V406-K410 VanDerWaalsContact O-CG 3.29Å; V406-K410 WeakPolarHBondContact O-CG 3.16Å; V406-K410 PolarHBondContact O-N 2.97Å; K407-K410 PolarHBondContact O-N 2.86Å; F408-K410 VanDerWaalsContact C-N 3.33Å; F408-K410 PolarHBondContact O-N 3.18Å; K410-K504 PolarHBondContact O-NZ 3.49Å
411	E	94.5	Very high	94.6	Very high	46 Å²	46	48.3 Å²	48.3	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-86.9	-43.8	178.5	-76.6	-59.2	157.7	0	0	114.4	R346 F383 V387 K407 F408 T409 L415 K504	R346-E411 IonicContact CZ-OE1 3.55Å; R346-E411 IonicContact CZ-OE2 3.16Å; R346-E411 IonicContact NH2-OE1 3.39Å; R346-E411 PolarHBondContact NH2-OE1 2.8Å; R346-E411 IonicContact NH2-OE2 2.69Å; R346-E411 PolarHBondContact NH2-OE2 3.11Å; F383-E411 HydrophobicContact CZ-CB 4.34Å; V387-E411 HydrophobicContact CG1-CB 3.87Å; V387-E411 HydrophobicContact CG1-CG 3.9Å; V387-E411 HydrophobicContact CG2-CB 4.11Å; V387-E411 HydrophobicContact CG2-CG 4.32Å; K407-E411 PolarHBondContact O-N 3.4Å; F408-E411 PolarHBondContact O-N 2.98Å; T409-E411 PolarHBondContact O-N 2.99Å; E411-L415 WeakPolarHBondContact O-CD1 3.18Å; E411-K504 VanDerWaalsContact C-NZ 3.34Å; E411-K504 PolarHBondContact O-NZ 2.85Å
412	I	96.2	Very high	94.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-83.7	-26	-177.3	-158.7	160.9	0	0	0	114.4	V380 F383 F408 G414 L415 V431 V434 L478 M496	V380-I412 HydrophobicContact CG1-CD1 3.63Å; V380-I412 HydrophobicContact CG2-CD1 4.2Å; F383-I412 HydrophobicContact CD1-CD1 4.13Å; F383-I412 HydrophobicContact CE1-CB 3.95Å; F383-I412 HydrophobicContact CE1-CD1 4.24Å; F383-I412 HydrophobicContact CE1-CG1 4.17Å; F408-I412 HydrophobicContact CD1-CG2 4.31Å; F408-I412 HydrophobicContact CE1-CG2 4.02Å; F408-I412 HydrophobicContact CE2-CB 4.34Å; F408-I412 HydrophobicContact CE2-CD1 4.08Å; F408-I412 HydrophobicContact CE2-CG2 4.37Å; F408-I412 HydrophobicContact CZ-CB 4.37Å; F408-I412 HydrophobicContact CZ-CD1 3.77Å; F408-I412 HydrophobicContact CZ-CG2 4.06Å; F408-I412 PolarHBondContact O-N 3.21Å; I412-G414 PolarHBondContact O-N 2.92Å; I412-L415 WeakPolarHBondContact O-CB 3.44Å; I412-L415 WeakPolarHBondContact O-CG 3.42Å; I412-L415 PolarHBondContact O-N 3.43Å; I412-L415 VanDerWaalsContact O-N 3.08Å; I412-V431 HydrophobicContact CG1-CG1 4.4Å; I412-V431 HydrophobicContact CG1-CG2 4.24Å; I412-V431 HydrophobicContact CG2-CG1 4.22Å; I412-V434 HydrophobicContact CG2-CG2 3.53Å; I412-L478 HydrophobicContact CD1-CD1 4.25Å; I412-L478 HydrophobicContact CD1-CD2 3.83Å; I412-L478 HydrophobicContact CG2-CD2 4.38Å; I412-M496 HydrophobicContact CD1-SD 4.29Å
413	K	94.3	Very high	93.7	Very high	82 Å²	82	45.7 Å²	45.7	36%	0.357	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	129.7	179.1	-179.2	166.5	178.7	131.7	0	110.9	T409 C432 E483 K504	T409-K413 WeakPolarHBondContact O-CB 3.4Å; T409-K413 PolarHBondContact O-N 3.36Å; K413-C432 WeakPolarHBondContact CD-O 3.48Å; K413-C432 WeakPolarHBondContact CE-O 3.36Å; K413-C432 WeakPolarHBondContact CG-O 3.47Å; K413-C432 PolarHBondContact NZ-O 3.41Å; K413-E483 IonicContact NZ-OE1 3.2Å; K413-E483 PolarHBondContact NZ-OE1 3.28Å; K413-K504 PolarHBondContact O-NZ 3.21Å; K413-K504 VanDerWaalsContact O-NZ 3.15Å
414	G	93.1	Very high	92.8	Very high	32 Å²	32	48 Å²	48	33%	0.33	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-15.2	-178.1	0	0	0	0	0	115.1	I412 R430 V431	I412-G414 PolarHBondContact O-N 2.92Å; G414-R430 WeakPolarHBondContact O-CG 3.3Å; G414-R430 PolarHBondContact O-NH1 3.31Å; G414-V431 WeakPolarHBondContact CA-O 3.25Å; G414-V431 PolarHBondContact N-O 2.89Å
415	L	96	Very high	91.9	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.079	26%	0.263	C	S	.	.			trans	-79.6	160.5	-179.3	-52.6	-173.8	0	0	0	111.6	Y375 F383 E411 I412 R430 V431 M496	Y375-L415 HydrophobicContact CD1-CD1 3.98Å; Y375-L415 HydrophobicContact CD2-CD1 4.14Å; Y375-L415 HydrophobicContact CD2-CD2 3.9Å; Y375-L415 HydrophobicContact CE1-CD1 3.72Å; Y375-L415 HydrophobicContact CE2-CD1 3.91Å; Y375-L415 HydrophobicContact CE2-CD2 3.35Å; Y375-L415 HydrophobicContact CE2-CG 4.3Å; Y375-L415 HydrophobicContact CG-CD1 4.16Å; F383-L415 HydrophobicContact CZ-CD1 4.08Å; E411-L415 WeakPolarHBondContact O-CD1 3.18Å; I412-L415 WeakPolarHBondContact O-CB 3.44Å; I412-L415 WeakPolarHBondContact O-CG 3.42Å; I412-L415 PolarHBondContact O-N 3.43Å; I412-L415 VanDerWaalsContact O-N 3.08Å; L415-R430 WeakPolarHBondContact O-CA 3.3Å; L415-R430 WeakPolarHBondContact O-CG 3.26Å; L415-V431 PolarHBondContact O-N 2.82Å; L415-M496 HydrophobicContact CB-CE 4.04Å; L415-M496 HydrophobicContact CD1-CE 3.54Å; L415-M496 HydrophobicContact CG-CE 4.42Å
416	K	96.1	Very high	91.1	Very high	73 Å²	73	50.4 Å²	50.4	32%	0.317	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	140.5	173.2	-57.5	174	-70.6	157.9	0	111.1	Y429 V497 Q500	K416-Y429 CarbonylContact C-O 3.58Å; K416-Y429 WeakPolarHBondContact CA-O 3.22Å; K416-Y429 WeakPolarHBondContact CB-O 3.42Å; K416-V497 HydrophobicContact CB-CB 4.21Å; K416-V497 HydrophobicContact CB-CG2 3.98Å; K416-V497 PolarHBondContact O-N 3.01Å; K416-Q500 VanDerWaalsContact CB-OE1 3.24Å; K416-Q500 VanDerWaalsContact CE-OE1 3.26Å; K416-Q500 PolarHBondContact O-NE2 3.08Å
417	V	97.2	Very high	90.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.8	172.4	-65.4	0	0	0	0	109.6	V380 K428 Y429 V431 L478 V480 C494 N495 M496 V497	V380-V417 HydrophobicContact CG2-CG1 3.74Å; V417-K428 WeakPolarHBondContact O-CA 3.38Å; V417-Y429 PolarHBondContact N-O 3.39Å; V417-Y429 PolarHBondContact O-N 2.88Å; V417-V431 HydrophobicContact CB-CG2 4.45Å; V417-V431 HydrophobicContact CG1-CG2 3.8Å; V417-V431 HydrophobicContact CG2-CG2 3.83Å; V417-L478 HydrophobicContact CB-CD1 4.49Å; V417-L478 HydrophobicContact CG1-CD1 3.97Å; V417-L478 HydrophobicContact CG2-CD1 4.04Å; V417-V480 HydrophobicContact CG2-CG1 4.34Å; V417-C494 HydrophobicContact CB-CB 4.29Å; V417-N495 CarbonylContact C-O 3.57Å; V417-N495 WeakPolarHBondContact CA-O 3.37Å; V417-N495 WeakPolarHBondContact CB-O 3.27Å; V417-M496 HydrophobicContact CG1-SD 3.99Å; V417-V497 VanDerWaalsContact C-CG2 3.5Å
418	E	95.2	Very high	90.5	Very high	38 Å²	38	54.5 Å²	54.5	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.4	172.4	58.2	-178.5	-127.2	0	0	110.9	R427 K428 C494 N495 V497	E418-R427 WeakPolarHBondContact CA-O 3.27Å; E418-K428 HydrophobicContact CB-CG 3.79Å; E418-K428 WeakPolarHBondContact OE2-CE 3.36Å; E418-C494 WeakPolarHBondContact O-CA 3.4Å; E418-N495 HydrophobicContact CG-CB 4.1Å; E418-N495 PolarHBondContact N-O 2.72Å; E418-N495 PolarHBondContact O-N 2.9Å; E418-V497 HydrophobicContact CB-CG2 3.93Å; E418-V497 HydrophobicContact CG-CG2 4Å
419	I	94.8	Very high	90.4	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.6	-176.6	62.3	175.7	0	0	0	112.2	C422 R427 Y429 L489 V493	I419-C422 HydrophobicContact CD1-CB 3.97Å; I419-R427 HydrophobicContact CD1-CB 3.74Å; I419-R427 HydrophobicContact CG1-CB 3.92Å; I419-R427 PolarHBondContact N-O 3.39Å; I419-Y429 HydrophobicContact CG2-CD2 4.01Å; I419-Y429 HydrophobicContact CG2-CE2 3.85Å; I419-L489 HydrophobicContact CG2-CD1 3.88Å; I419-L489 HydrophobicContact CG2-CD2 4.28Å; I419-V493 WeakPolarHBondContact CA-O 3.17Å
420	T	93.2	Very high	90.4	Very high	42 Å²	42	63.1 Å²	63.1	26%	0.258	31%	0.312	S	S	.	.	S	Bend	trans	-104.8	-20.6	176.7	60.9	0	0	0	0	113.4	C422 V493 N495	T420-C422 PolarHBondContact O-N 3.09Å; T420-V493 PolarHBondContact N-O 2.97Å; T420-V493 VanDerWaalsContact OG1-C 3.31Å; T420-V493 VanDerWaalsContact OG1-CA 3.3Å; T420-V493 WeakPolarHBondContact OG1-CA 3.28Å; T420-V493 PolarHBondContact OG1-O 2.72Å; T420-N495 HydrophobicContact CG2-CB 4.47Å
421	H	89.8	Confident	90.6	Very high	31 Å²	31	55.9 Å²	55.9	14%	0.144	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-9.3	-169.9	59.4	-90.5	0	0	0	116	F462 I468 V493	H421-F462 HydrophobicContact CB-CE1 4.32Å; H421-F462 AromaticContact CD2-CE1 3.79Å; H421-F462 AromaticContact CE1-CE1 3.73Å; H421-F462 AromaticContact CE1-CZ 3.75Å; H421-F462 AromaticContact CG-CE1 3.73Å; H421-F462 AromaticContact ND1-CE1 3.69Å; H421-F462 AromaticContact NE2-CE1 3.82Å; H421-F462 AromaticContact NE2-CZ 3.89Å; H421-I468 HydrophobicContact CB-CD1 3.47Å; H421-I468 VanDerWaalsContact CB-CD1 3.47Å; H421-V493 HydrophobicContact CB-CB 4.31Å; H421-V493 HydrophobicContact CB-CG1 4.31Å
422	C	87.1	Confident	90.7	Very high	42 Å²	42	54.2 Å²	54.2	28%	0.284	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	32.1	179.4	-63.2	0	0	0	0	113.1	I419 T420 T424 M425	I419-C422 HydrophobicContact CD1-CB 3.97Å; T420-C422 PolarHBondContact O-N 3.09Å; C422-T424 PolarHBondContact O-N 2.85Å; C422-T424 VanDerWaalsContact O-N 3.09Å; C422-M425 HydrophobicContact CB-CB 3.9Å; C422-M425 WeakPolarHBondContact O-CB 3.42Å; C422-M425 PolarHBondContact O-N 3.24Å
423	G	79.7	Confident	90.7	Very high	50 Å²	50	57.1 Å²	57.1	52%	0.515	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-108.7	175.4	0	0	0	0	0	113.4	R426	G423-R426 PolarHBondContact O-NE 2.89Å; G423-R426 PolarHBondContact O-NH2 2.88Å
424	T	74.8	Confident	90.8	Very high	145 Å²	145	53.3 Å²	53.3	89%	0.89	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.9	176.2	51.9	0	0	0	0	113.3	C422 R426	C422-T424 PolarHBondContact O-N 2.85Å; C422-T424 VanDerWaalsContact O-N 3.09Å; T424-R426 PolarHBondContact O-N 2.85Å; T424-R426 VanDerWaalsContact O-N 3.1Å
425	M	75.6	Confident	91	Very high	59 Å²	59	52.3 Å²	52.3	29%	0.291	26%	0.26	S	S	.	.			trans	-80.6	92.8	-176.9	-165.2	-163.4	-158.5	0	0	112	E272 C422 R427	E272-M425 HydrophobicContact CB-CE 4.28Å; E272-M425 HydrophobicContact CB-CG 4.48Å; E272-M425 WeakPolarHBondContact O-CE 3.45Å; C422-M425 HydrophobicContact CB-CB 3.9Å; C422-M425 WeakPolarHBondContact O-CB 3.42Å; C422-M425 PolarHBondContact O-N 3.24Å; M425-R427 HydrophobicContact CG-CB 4.46Å; M425-R427 PolarHBondContact O-N 2.84Å; M425-R427 HydrophobicContact SD-CB 4.49Å
426	R	79.6	Confident	91	Very high	89 Å²	89	60.3 Å²	60.3	34%	0.336	29%	0.289	S	S	.	.			trans	-85.7	53.4	-177.7	-62.6	-71.3	154.7	157.1	-4.3	113.2	G423 T424 K428	G423-R426 PolarHBondContact O-NE 2.89Å; G423-R426 PolarHBondContact O-NH2 2.88Å; T424-R426 PolarHBondContact O-N 2.85Å; T424-R426 VanDerWaalsContact O-N 3.1Å; R426-K428 VanDerWaalsContact O-CE 3.26Å; R426-K428 WeakPolarHBondContact O-CE 3.17Å; R426-K428 PolarHBondContact O-N 3.33Å; R426-K428 PolarHBondContact O-NZ 2.81Å
427	R	86.5	Confident	90.9	Very high	124 Å²	124	63.4 Å²	63.4	47%	0.468	30%	0.299	S	S	.	.			trans	-61.1	121.2	-171.5	-163.7	171	-180	177.8	2	112.5	E272 E418 I419 M425 Y429	E272-R427 WeakPolarHBondContact OE2-CA 3.23Å; E272-R427 PolarHBondContact OE2-N 3.33Å; E418-R427 WeakPolarHBondContact CA-O 3.27Å; I419-R427 HydrophobicContact CD1-CB 3.74Å; I419-R427 HydrophobicContact CG1-CB 3.92Å; I419-R427 PolarHBondContact N-O 3.39Å; M425-R427 HydrophobicContact CG-CB 4.46Å; M425-R427 PolarHBondContact O-N 2.84Å; M425-R427 HydrophobicContact SD-CB 4.49Å; R427-Y429 HydrophobicContact CB-CE2 4.16Å; R427-Y429 WeakPolarHBondContact CD-OH 3.44Å; R427-Y429 HydrophobicContact CG-CE2 3.96Å; R427-Y429 WeakPolarHBondContact O-CD2 3.34Å
428	K	91.8	Very high	90.9	Very high	103 Å²	103	64.6 Å²	64.6	45%	0.448	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.8	-174.3	-70.8	131.2	-164.9	144.7	0	112.5	E272 V417 E418 R426 V497	E272-K428 IonicContact OE1-NZ 2.72Å; E272-K428 PolarHBondContact OE1-NZ 3.1Å; V417-K428 WeakPolarHBondContact O-CA 3.38Å; E418-K428 HydrophobicContact CB-CG 3.79Å; E418-K428 WeakPolarHBondContact OE2-CE 3.36Å; R426-K428 VanDerWaalsContact O-CE 3.26Å; R426-K428 WeakPolarHBondContact O-CE 3.17Å; R426-K428 PolarHBondContact O-N 3.33Å; R426-K428 PolarHBondContact O-NZ 2.81Å; K428-V497 HydrophobicContact CG-CG2 3.99Å
429	Y	94.2	Very high	90.8	Very high	58 Å²	58	62.8 Å²	62.8	23%	0.227	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.4	-179.4	-69.5	-80.7	0	0	0	111.1	K416 V417 I419 R427 V480 L489	K416-Y429 CarbonylContact C-O 3.58Å; K416-Y429 WeakPolarHBondContact CA-O 3.22Å; K416-Y429 WeakPolarHBondContact CB-O 3.42Å; V417-Y429 PolarHBondContact N-O 3.39Å; V417-Y429 PolarHBondContact O-N 2.88Å; I419-Y429 HydrophobicContact CG2-CD2 4.01Å; I419-Y429 HydrophobicContact CG2-CE2 3.85Å; R427-Y429 HydrophobicContact CB-CE2 4.16Å; R427-Y429 WeakPolarHBondContact CD-OH 3.44Å; R427-Y429 HydrophobicContact CG-CE2 3.96Å; R427-Y429 WeakPolarHBondContact O-CD2 3.34Å; Y429-V480 HydrophobicContact CD1-CB 4.38Å; Y429-V480 HydrophobicContact CD1-CG2 3.91Å; Y429-V480 HydrophobicContact CG-CB 4.36Å; Y429-V480 HydrophobicContact CG-CG2 4.05Å; Y429-L489 HydrophobicContact CD2-CD1 4.12Å
430	R	95.5	Very high	90.9	Very high	140 Å²	140	67.2 Å²	67.2	53%	0.528	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130	168.3	-170	-177.1	-62	-82.5	3.8	109.9	G414 L415 C432 V480 G481	G414-R430 WeakPolarHBondContact O-CG 3.3Å; G414-R430 PolarHBondContact O-NH1 3.31Å; L415-R430 WeakPolarHBondContact O-CA 3.3Å; L415-R430 WeakPolarHBondContact O-CG 3.26Å; R430-C432 PolarHBondContact O-N 3.11Å; R430-V480 VanDerWaalsContact O-CA 3.32Å; R430-V480 WeakPolarHBondContact O-CA 3.28Å; R430-G481 PolarHBondContact O-N 3.13Å
431	V	97.2	Very high	91	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.5	176.1	-174.6	0	0	0	0	109.5	I412 G414 L415 V417 N433 L478 V480	I412-V431 HydrophobicContact CG1-CG1 4.4Å; I412-V431 HydrophobicContact CG1-CG2 4.24Å; I412-V431 HydrophobicContact CG2-CG1 4.22Å; G414-V431 WeakPolarHBondContact CA-O 3.25Å; G414-V431 PolarHBondContact N-O 2.89Å; L415-V431 PolarHBondContact O-N 2.82Å; V417-V431 HydrophobicContact CB-CG2 4.45Å; V417-V431 HydrophobicContact CG1-CG2 3.8Å; V417-V431 HydrophobicContact CG2-CG2 3.83Å; V431-N433 WeakPolarHBondContact CG1-O 3.26Å; V431-L478 HydrophobicContact CG1-CB 4.32Å; V431-L478 HydrophobicContact CG1-CD2 4.22Å; V431-L478 HydrophobicContact CG2-CB 4.46Å; V431-L478 HydrophobicContact CG2-CD1 3.86Å; V431-V480 HydrophobicContact CG2-CG1 4.33Å
432	C	95.8	Very high	91.3	Very high	12 Å²	12	68.1 Å²	68.1	8%	0.081	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-28.1	176	65.6	0	0	0	0	111.9	K413 R430 Q479 E483	K413-C432 WeakPolarHBondContact CD-O 3.48Å; K413-C432 WeakPolarHBondContact CE-O 3.36Å; K413-C432 WeakPolarHBondContact CG-O 3.47Å; K413-C432 PolarHBondContact NZ-O 3.41Å; R430-C432 PolarHBondContact O-N 3.11Å; C432-Q479 PolarHBondContact N-O 3.32Å; C432-Q479 VanDerWaalsContact SG-C 3.55Å; C432-Q479 PolarHBondContact SG-O 3.11Å; C432-E483 HydrophobicContact CB-CG 3.48Å; C432-E483 VanDerWaalsContact CB-CG 3.48Å
433	N	96.6	Very high	91.7	Very high	60 Å²	60	67.1 Å²	67.1	32%	0.321	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	175.8	175.2	-146.5	-2	0	0	0	112.7	V431 Q479	V431-N433 WeakPolarHBondContact CG1-O 3.26Å; N433-Q479 HydrophobicContact CB-CB 3.84Å; N433-Q479 VanDerWaalsContact CB-OE1 3.24Å; N433-Q479 PolarHBondContact N-O 3.21Å; N433-Q479 PolarHBondContact O-N 2.84Å
434	V	97.2	Very high	92.5	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.3	166.5	-178.1	0	0	0	0	108	F408 T409 I412 P476 C477 L478	F408-V434 HydrophobicContact CD1-CG1 4.09Å; F408-V434 HydrophobicContact CD1-CG2 3.98Å; F408-V434 HydrophobicContact CE1-CG1 4.04Å; F408-V434 HydrophobicContact CE1-CG2 3.87Å; T409-V434 HydrophobicContact CG2-CB 4.36Å; T409-V434 HydrophobicContact CG2-CG2 4.27Å; T409-V434 WeakPolarHBondContact OG1-CB 3.49Å; I412-V434 HydrophobicContact CG2-CG2 3.53Å; V434-P476 HydrophobicContact CG1-CB 3.79Å; V434-P476 HydrophobicContact CG1-CG 3.68Å; V434-C477 WeakPolarHBondContact CA-O 3.16Å; V434-L478 HydrophobicContact CG2-CD2 4.17Å
435	T	96.7	Very high	93.4	Very high	10 Å²	10	62 Å²	62	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	153.9	-174.4	62.1	0	0	0	0	112.1	R405 R437 Q442 P476 C477 Y488	R405-T435 WeakPolarHBondContact CD-O 3.39Å; T435-R437 PolarHBondContact OG1-O 3.39Å; T435-Q442 HydrophobicContact CG2-CG 3.99Å; T435-P476 VanDerWaalsContact O-CB 3.29Å; T435-P476 WeakPolarHBondContact O-CB 3.42Å; T435-C477 HydrophobicContact CG2-CB 3.98Å; T435-C477 PolarHBondContact N-O 3.2Å; T435-C477 PolarHBondContact OG1-N 3.47Å; T435-C477 PolarHBondContact OG1-O 3.15Å; T435-Y488 HydrophobicContact CG2-CD1 3.57Å; T435-Y488 HydrophobicContact CG2-CE1 3.7Å; T435-Y488 HydrophobicContact CG2-CG 4.36Å
436	R	95.3	Very high	94.2	Very high	184 Å²	184	61 Å²	61	69%	0.694	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	-32.4	171.5	-165.9	177.2	-171.2	-154.1	0.7	112	D402	D402-R436 IonicContact OD1-NE 2.73Å; D402-R436 IonicContact OD2-CZ 3.07Å; D402-R436 IonicContact OD2-NE 3.43Å; D402-R436 PolarHBondContact OD2-NE 3.44Å; D402-R436 IonicContact OD2-NH2 2.8Å; D402-R436 PolarHBondContact OD2-NH2 2.98Å
437	R	95.5	Very high	94.6	Very high	138 Å²	138	63.8 Å²	63.8	52%	0.521	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144	174.6	-61.9	-176.2	-174.4	159.2	1.4	110.6	T435 T441 Q442	T435-R437 PolarHBondContact OG1-O 3.39Å; R437-T441 VanDerWaalsContact CD-O 3.24Å; R437-T441 WeakPolarHBondContact CD-O 3.4Å; R437-Q442 HydrophobicContact CB-CB 4.04Å
438	P	95.9	Very high	94.6	Very high	24 Å²	24	61.4 Å²	61.4	16%	0.156	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	161.8	171.4	32.8	-38.5	0	0	0	111.7	Q440 T441 Q442 H474 L475	P438-Q440 HydrophobicContact CB-CG 4.24Å; P438-Q440 HydrophobicContact CG-CG 3.96Å; P438-Q440 PolarHBondContact O-N 3.2Å; P438-Q440 VanDerWaalsContact O-N 3.07Å; P438-T441 WeakPolarHBondContact CD-OG1 3.37Å; P438-T441 WeakPolarHBondContact CG-OG1 3.42Å; P438-T441 CarbonylContact O-C 3.59Å; P438-T441 PolarHBondContact O-N 2.83Å; P438-Q442 WeakPolarHBondContact O-CB 3.33Å; P438-Q442 PolarHBondContact O-N 3.18Å; P438-H474 VanDerWaalsContact CB-C 3.48Å; P438-H474 VanDerWaalsContact CB-O 3.29Å; P438-H474 WeakPolarHBondContact CB-O 3.5Å; P438-L475 CarbonylContact C-O 3.6Å; P438-L475 WeakPolarHBondContact CA-O 3.36Å
439	S	94.8	Very high	94.1	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.007	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.7	-174	-56.8	0	0	0	0	114.2	A459 P473 L475 C477	S439-A459 WeakPolarHBondContact O-CB 3.18Å; S439-A459 PolarHBondContact O-N 2.9Å; S439-P473 PolarHBondContact N-O 3.17Å; S439-P473 VanDerWaalsContact N-O 3.09Å; S439-L475 PolarHBondContact N-O 3.44Å; S439-L475 PolarHBondContact OG-O 3.28Å; S439-C477 PolarHBondContact OG-SG 2.92Å
440	Q	95	Very high	93.6	Very high	96 Å²	96	68.1 Å²	68.1	45%	0.449	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.6	173	59.5	-171.1	62.7	0	0	115.8	P438 P473	P438-Q440 HydrophobicContact CB-CG 4.24Å; P438-Q440 HydrophobicContact CG-CG 3.96Å; P438-Q440 PolarHBondContact O-N 3.2Å; P438-Q440 VanDerWaalsContact O-N 3.07Å; Q440-P473 HydrophobicContact CB-CB 4.21Å; Q440-P473 WeakPolarHBondContact CG-O 3.19Å; Q440-P473 PolarHBondContact N-O 3.16Å
441	T	95.8	Very high	93.1	Very high	72 Å²	72	64 Å²	64	44%	0.442	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-1.8	179.5	60.4	0	0	0	0	114.4	R437 P438 S443	R437-T441 VanDerWaalsContact CD-O 3.24Å; R437-T441 WeakPolarHBondContact CD-O 3.4Å; P438-T441 WeakPolarHBondContact CD-OG1 3.37Å; P438-T441 WeakPolarHBondContact CG-OG1 3.42Å; P438-T441 CarbonylContact O-C 3.59Å; P438-T441 PolarHBondContact O-N 2.83Å; T441-S443 PolarHBondContact O-N 3.45Å
442	Q	97.1	Very high	92.6	Very high	21 Å²	21	66.3 Å²	66.3	10%	0.098	35%	0.354	C	S	.	.			trans	-70.6	122	162.2	-178.4	59.6	60.5	0	0	108.2	T435 R437 P438 T457 V458 Y488	T435-Q442 HydrophobicContact CG2-CG 3.99Å; R437-Q442 HydrophobicContact CB-CB 4.04Å; P438-Q442 WeakPolarHBondContact O-CB 3.33Å; P438-Q442 PolarHBondContact O-N 3.18Å; Q442-T457 CarbonylContact O-C 3.52Å; Q442-T457 VanDerWaalsContact O-CA 3.27Å; Q442-T457 WeakPolarHBondContact O-CA 3.45Å; Q442-V458 HydrophobicContact CB-CG2 4.26Å; Q442-V458 HydrophobicContact CG-CG2 4Å; Q442-V458 PolarHBondContact O-N 2.98Å; Q442-Y488 HydrophobicContact CG-CD2 3.98Å; Q442-Y488 HydrophobicContact CG-CE2 4.21Å; Q442-Y488 HydrophobicContact CG-CG 4.22Å
443	S	95.9	Very high	92.3	Very high	20 Å²	20	69.7 Å²	69.7	14%	0.14	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	166.6	179	60.5	0	0	0	0	111.8	T441 E455 C456 Y488	T441-S443 PolarHBondContact O-N 3.45Å; S443-E455 WeakPolarHBondContact CB-OE2 3.17Å; S443-E455 PolarHBondContact OG-OE2 2.87Å; S443-C456 CarbonylContact C-O 3.58Å; S443-C456 WeakPolarHBondContact CA-O 3.44Å; S443-Y488 WeakPolarHBondContact O-CE2 3.49Å
444	F	95.8	Very high	92.1	Very high	29 Å²	29	69.5 Å²	69.5	13%	0.127	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156	172.4	65.7	-81.8	0	0	0	110.5	L446 C456 V458 Y461 H486 Y488	F444-L446 HydrophobicContact CD2-CB 4.47Å; F444-L446 HydrophobicContact CE2-CB 3.99Å; F444-L446 HydrophobicContact CE2-CD1 4.16Å; F444-L446 PolarHBondContact O-N 3.21Å; F444-C456 WeakPolarHBondContact CD1-O 3.25Å; F444-C456 PolarHBondContact N-O 2.99Å; F444-C456 PolarHBondContact O-N 3.49Å; F444-V458 HydrophobicContact CD1-CG2 4.1Å; F444-V458 HydrophobicContact CE1-CG2 4.3Å; F444-Y461 HydrophobicContact CE1-CD1 4.34Å; F444-Y461 HydrophobicContact CE1-CG 4.12Å; F444-Y461 AromaticContact CZ-CD1 3.92Å; F444-Y461 HydrophobicContact CZ-CD1 3.92Å; F444-Y461 AromaticContact CZ-CD2 3.9Å; F444-Y461 HydrophobicContact CZ-CD2 3.9Å; F444-Y461 HydrophobicContact CZ-CE1 4.44Å; F444-Y461 HydrophobicContact CZ-CE2 4.41Å; F444-Y461 AromaticContact CZ-CG 3.62Å; F444-Y461 HydrophobicContact CZ-CG 3.62Å; F444-H486 HydrophobicContact CB-CB 3.9Å; F444-Y488 HydrophobicContact CB-CD2 4.09Å; F444-Y488 HydrophobicContact CB-CE2 3.98Å; F444-Y488 HydrophobicContact CD1-CD2 4.5Å
445	P	94.6	Very high	91.8	Very high	58 Å²	58	75.1 Å²	75.1	38%	0.377	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	115.9	175.2	27.2	-33.4	0	0	0	109.8	T453 E455	P445-T453 HydrophobicContact CB-CG2 3.7Å; P445-E455 VanDerWaalsContact CD-OE1 3.28Å; P445-E455 WeakPolarHBondContact CD-OE1 3.33Å
446	L	91.4	Very high	91.7	Very high	39 Å²	39	75 Å²	75	20%	0.204	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.4	175.8	176.3	64.7	0	0	0	108.7	F444 L448 T453 V454 C456 Y461	F444-L446 HydrophobicContact CD2-CB 4.47Å; F444-L446 HydrophobicContact CE2-CB 3.99Å; F444-L446 HydrophobicContact CE2-CD1 4.16Å; F444-L446 PolarHBondContact O-N 3.21Å; L446-L448 HydrophobicContact CD2-CD2 4.41Å; L446-T453 CarbonylContact O-C 3.6Å; L446-T453 WeakPolarHBondContact O-CA 3.25Å; L446-V454 HydrophobicContact CB-CG2 4.41Å; L446-V454 PolarHBondContact N-O 2.86Å; L446-V454 PolarHBondContact O-N 2.7Å; L446-C456 HydrophobicContact CB-CB 4.01Å; L446-C456 HydrophobicContact CD2-CB 3.82Å; L446-Y461 HydrophobicContact CD1-CD2 4.4Å; L446-Y461 HydrophobicContact CD1-CE2 4.2Å; L446-Y461 HydrophobicContact CD2-CD2 4.11Å
447	Q	87.9	Confident	91.8	Very high	147 Å²	147	68.2 Å²	68.2	69%	0.687	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.7	166	-78.4	175.4	-30.6	0	0	109.3	T453	Q447-T453 WeakPolarHBondContact CG-OG1 3.48Å
448	L	85.9	Confident	91.9	Very high	74 Å²	74	61.7 Å²	61.7	39%	0.387	36%	0.355	S	S	.	.			trans	-85.3	163.1	170.4	-58.7	178.9	0	0	0	110	L446 T450 G451 A452 V454	L446-L448 HydrophobicContact CD2-CD2 4.41Å; L448-T450 PolarHBondContact O-N 2.89Å; L448-T450 VanDerWaalsContact O-N 3.08Å; L448-G451 PolarHBondContact O-N 2.95Å; L448-A452 PolarHBondContact N-O 2.93Å; L448-V454 HydrophobicContact CD1-CG1 3.83Å; L448-V454 HydrophobicContact CD1-CG2 4.1Å; L448-V454 HydrophobicContact CD2-CG2 3.93Å; L448-V454 HydrophobicContact CG-CG1 4.37Å; L448-V454 HydrophobicContact CG-CG2 3.94Å
449	D	82.6	Confident	91.9	Very high	183 Å²	183	61.5 Å²	61.5	98%	0.979	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.5	177.3	-53.2	-54.9	0	0	0	113	G451	D449-G451 PolarHBondContact O-N 3.05Å
450	T	84.3	Confident	91.9	Very high	120 Å²	120	66.4 Å²	66.4	74%	0.736	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	0.9	171.1	58.7	0	0	0	0	114.1	L448 A452	L448-T450 PolarHBondContact O-N 2.89Å; L448-T450 VanDerWaalsContact O-N 3.08Å; T450-A452 PolarHBondContact O-N 3.16Å
451	G	84.3	Confident	92	Very high	53 Å²	53	64.4 Å²	64.4	55%	0.546	37%	0.366	S	S	.	.	S	Bend	trans	77.8	-15.2	-174.1	0	0	0	0	0	114.7	L448 D449	L448-G451 PolarHBondContact O-N 2.95Å; D449-G451 PolarHBondContact O-N 3.05Å
452	A	86.5	Confident	92	Very high	49 Å²	49	61.1 Å²	61.1	41%	0.405	35%	0.345	S	S	.	.			trans	-64.5	137.1	175.4	0	0	0	0	0	111.1	L448 T450	L448-A452 PolarHBondContact N-O 2.93Å; T450-A452 PolarHBondContact O-N 3.16Å
453	T	89.2	Confident	91.9	Very high	82 Å²	82	65.5 Å²	65.5	50%	0.503	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.4	174.3	-55.6	0	0	0	0	109.8	P445 L446 Q447	P445-T453 HydrophobicContact CB-CG2 3.7Å; L446-T453 CarbonylContact O-C 3.6Å; L446-T453 WeakPolarHBondContact O-CA 3.25Å; Q447-T453 WeakPolarHBondContact CG-OG1 3.48Å
454	V	91.9	Very high	91.7	Very high	57 Å²	57	70.6 Å²	70.6	35%	0.345	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.8	178.9	-60.6	0	0	0	0	110.8	L446 L448 C456	L446-V454 HydrophobicContact CB-CG2 4.41Å; L446-V454 PolarHBondContact N-O 2.86Å; L446-V454 PolarHBondContact O-N 2.7Å; L448-V454 HydrophobicContact CD1-CG1 3.83Å; L448-V454 HydrophobicContact CD1-CG2 4.1Å; L448-V454 HydrophobicContact CD2-CG2 3.93Å; L448-V454 HydrophobicContact CG-CG1 4.37Å; L448-V454 HydrophobicContact CG-CG2 3.94Å; V454-C456 PolarHBondContact O-N 2.78Å
455	E	92.7	Very high	91.5	Very high	121 Å²	121	76.6 Å²	76.6	57%	0.565	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	107.9	168.9	-84.2	-74.5	121.3	0	0	109.2	S443 P445	S443-E455 WeakPolarHBondContact CB-OE2 3.17Å; S443-E455 PolarHBondContact OG-OE2 2.87Å; P445-E455 VanDerWaalsContact CD-OE1 3.28Å; P445-E455 WeakPolarHBondContact CD-OE1 3.33Å
456	C	93.9	Very high	91.4	Very high	7 Å²	7	77.5 Å²	77.5	5%	0.047	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.3	175.9	-166.5	0	0	0	0	110.3	S443 F444 L446 V454	S443-C456 CarbonylContact C-O 3.58Å; S443-C456 WeakPolarHBondContact CA-O 3.44Å; F444-C456 WeakPolarHBondContact CD1-O 3.25Å; F444-C456 PolarHBondContact N-O 2.99Å; F444-C456 PolarHBondContact O-N 3.49Å; L446-C456 HydrophobicContact CB-CB 4.01Å; L446-C456 HydrophobicContact CD2-CB 3.82Å; V454-C456 PolarHBondContact O-N 2.78Å
457	T	96.6	Very high	91.5	Very high	42 Å²	42	82.7 Å²	82.7	26%	0.258	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	150	174.2	67.6	0	0	0	0	110.9	Q442 A459 K460 Y461	Q442-T457 CarbonylContact O-C 3.52Å; Q442-T457 VanDerWaalsContact O-CA 3.27Å; Q442-T457 WeakPolarHBondContact O-CA 3.45Å; T457-A459 VanDerWaalsContact C-N 3.3Å; T457-A459 PolarHBondContact O-N 2.81Å; T457-K460 PolarHBondContact O-N 3.16Å; T457-K460 VanDerWaalsContact O-N 3.15Å; T457-K460 VanDerWaalsContact OG1-CB 3.24Å; T457-K460 WeakPolarHBondContact OG1-CB 3.46Å; T457-K460 PolarHBondContact OG1-N 2.99Å; T457-Y461 WeakPolarHBondContact O-CB 3.39Å; T457-Y461 PolarHBondContact O-N 2.81Å
458	V	97.2	Very high	91.8	Very high	1 Å²	1	77.9 Å²	77.9	1%	0.006	41%	0.412	C	S	.	.	H	α-helix	trans	-60.3	-41.6	-178.7	-179.7	0	0	0	0	110.8	Q442 F444 Y461 F462 Y488 P490	Q442-V458 HydrophobicContact CB-CG2 4.26Å; Q442-V458 HydrophobicContact CG-CG2 4Å; Q442-V458 PolarHBondContact O-N 2.98Å; F444-V458 HydrophobicContact CD1-CG2 4.1Å; F444-V458 HydrophobicContact CE1-CG2 4.3Å; V458-Y461 PolarHBondContact O-N 2.89Å; V458-F462 HydrophobicContact CG1-CD2 3.92Å; V458-F462 HydrophobicContact CG1-CE2 4.08Å; V458-F462 WeakPolarHBondContact O-CD2 3.44Å; V458-F462 PolarHBondContact O-N 3.47Å; V458-Y488 HydrophobicContact CG2-CD2 4.17Å; V458-Y488 HydrophobicContact CG2-CG 4.36Å; V458-P490 HydrophobicContact CG1-CG 3.74Å
459	A	96.2	Very high	92.3	Very high	19 Å²	19	84.3 Å²	84.3	16%	0.157	43%	0.431	C	S	.	.	H	α-helix	trans	-60.2	-46.4	174	0	0	0	0	0	112.9	S439 T457 F462 Q463 L470	S439-A459 WeakPolarHBondContact O-CB 3.18Å; S439-A459 PolarHBondContact O-N 2.9Å; T457-A459 VanDerWaalsContact C-N 3.3Å; T457-A459 PolarHBondContact O-N 2.81Å; A459-F462 PolarHBondContact O-N 3.23Å; A459-Q463 PolarHBondContact O-N 2.88Å; A459-Q463 VanDerWaalsContact O-N 3.07Å; A459-L470 HydrophobicContact CB-CD1 3.92Å
460	K	95.6	Very high	92.8	Very high	104 Å²	104	76.3 Å²	76.3	45%	0.452	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-46.2	178.6	-178.7	176.2	175.3	180	0	111.3	T457 F462 Q463 E464	T457-K460 PolarHBondContact O-N 3.16Å; T457-K460 VanDerWaalsContact O-N 3.15Å; T457-K460 VanDerWaalsContact OG1-CB 3.24Å; T457-K460 WeakPolarHBondContact OG1-CB 3.46Å; T457-K460 PolarHBondContact OG1-N 2.99Å; K460-F462 PolarHBondContact O-N 3.16Å; K460-Q463 PolarHBondContact O-N 2.83Å; K460-E464 WeakPolarHBondContact CE-OE1 3.48Å; K460-E464 WeakPolarHBondContact CE-OE2 3.48Å; K460-E464 HydrophobicContact CG-CG 4.29Å; K460-E464 WeakPolarHBondContact CG-OE2 3.38Å; K460-E464 IonicContact NZ-OE1 3.47Å; K460-E464 PolarHBondContact NZ-OE1 3.15Å; K460-E464 WeakPolarHBondContact O-CG 3.49Å; K460-E464 PolarHBondContact O-N 3Å
461	Y	96.1	Very high	93.2	Very high	55 Å²	55	76.7 Å²	76.7	22%	0.216	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-41.2	177.1	174.4	-105.9	0	0	0	112.9	F444 L446 T457 V458 R465 Y466	F444-Y461 HydrophobicContact CE1-CD1 4.34Å; F444-Y461 HydrophobicContact CE1-CG 4.12Å; F444-Y461 AromaticContact CZ-CD1 3.92Å; F444-Y461 HydrophobicContact CZ-CD1 3.92Å; F444-Y461 AromaticContact CZ-CD2 3.9Å; F444-Y461 HydrophobicContact CZ-CD2 3.9Å; F444-Y461 HydrophobicContact CZ-CE1 4.44Å; F444-Y461 HydrophobicContact CZ-CE2 4.41Å; F444-Y461 AromaticContact CZ-CG 3.62Å; F444-Y461 HydrophobicContact CZ-CG 3.62Å; L446-Y461 HydrophobicContact CD1-CD2 4.4Å; L446-Y461 HydrophobicContact CD1-CE2 4.2Å; L446-Y461 HydrophobicContact CD2-CD2 4.11Å; T457-Y461 WeakPolarHBondContact O-CB 3.39Å; T457-Y461 PolarHBondContact O-N 2.81Å; V458-Y461 PolarHBondContact O-N 2.89Å; Y461-R465 HydrophobicContact CD2-CB 4.06Å; Y461-R465 HydrophobicContact CE2-CB 3.79Å; Y461-R465 HydrophobicContact CE2-CG 3.87Å; Y461-R465 WeakPolarHBondContact O-CB 3.43Å; Y461-R465 PolarHBondContact O-N 3.39Å; Y461-Y466 AromaticContact CE1-CE2 3.78Å; Y461-Y466 HydrophobicContact CE1-CE2 3.78Å; Y461-Y466 PolarHBondContact OH-OH 2.96Å
462	F	96.4	Very high	93.7	Very high	3 Å²	3	75.9 Å²	75.9	1%	0.013	37%	0.366	C	S	.	.	H	α-helix	trans	-68.6	-35.7	177.3	-91.6	-96.8	0	0	0	112.9	H421 V458 A459 K460 Y466 N467 I468 L470 L489 P490 V493	H421-F462 HydrophobicContact CB-CE1 4.32Å; H421-F462 AromaticContact CD2-CE1 3.79Å; H421-F462 AromaticContact CE1-CE1 3.73Å; H421-F462 AromaticContact CE1-CZ 3.75Å; H421-F462 AromaticContact CG-CE1 3.73Å; H421-F462 AromaticContact ND1-CE1 3.69Å; H421-F462 AromaticContact NE2-CE1 3.82Å; H421-F462 AromaticContact NE2-CZ 3.89Å; V458-F462 HydrophobicContact CG1-CD2 3.92Å; V458-F462 HydrophobicContact CG1-CE2 4.08Å; V458-F462 WeakPolarHBondContact O-CD2 3.44Å; V458-F462 PolarHBondContact O-N 3.47Å; A459-F462 PolarHBondContact O-N 3.23Å; K460-F462 PolarHBondContact O-N 3.16Å; F462-Y466 AromaticContact CD1-CD2 3.93Å; F462-Y466 HydrophobicContact CD1-CD2 3.93Å; F462-Y466 HydrophobicContact CE1-CD2 4.09Å; F462-Y466 HydrophobicContact CE1-CE2 4.33Å; F462-Y466 HydrophobicContact CG-CD2 4.37Å; F462-Y466 PolarHBondContact O-N 3.05Å; F462-N467 PolarHBondContact O-N 3.45Å; F462-I468 CarbonylContact C-O 3.34Å; F462-I468 PolarHBondContact O-N 3.38Å; F462-I468 VanDerWaalsContact O-N 3.09Å; F462-L470 HydrophobicContact CB-CD2 4.23Å; F462-L470 HydrophobicContact CG-CD2 4.49Å; F462-L489 HydrophobicContact CZ-CD2 4.38Å; F462-P490 HydrophobicContact CD2-CG 3.96Å; F462-P490 VanDerWaalsContact CE2-CD 3.45Å; F462-P490 HydrophobicContact CE2-CG 4Å; F462-P490 HydrophobicContact CG-CG 4.26Å; F462-P490 HydrophobicContact CZ-CG 4.33Å; F462-V493 HydrophobicContact CD1-CG1 4.2Å; F462-V493 HydrophobicContact CE1-CB 4.31Å; F462-V493 HydrophobicContact CE1-CG1 3.98Å; F462-V493 HydrophobicContact CE1-CG2 3.82Å; F462-V493 HydrophobicContact CZ-CG2 3.99Å
463	Q	95	Very high	94.1	Very high	113 Å²	113	75.2 Å²	75.2	53%	0.528	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-49.3	173.3	-173.4	176.2	-5.5	0	0	111.6	A459 K460 N467 I468	A459-Q463 PolarHBondContact O-N 2.88Å; A459-Q463 VanDerWaalsContact O-N 3.07Å; K460-Q463 PolarHBondContact O-N 2.83Å; Q463-N467 WeakPolarHBondContact O-CA 3.46Å; Q463-N467 PolarHBondContact O-N 2.62Å; Q463-N467 VanDerWaalsContact O-N 3.1Å; Q463-I468 WeakPolarHBondContact CA-O 3.27Å; Q463-I468 PolarHBondContact N-O 2.98Å
464	E	92.6	Very high	94.3	Very high	126 Å²	126	72.6 Å²	72.6	59%	0.589	34%	0.34	S	S	*	.	H	α-helix	trans	-73.7	-40.9	-176.8	-69.4	177.6	151.6	0	0	113.2	K460	K460-E464 WeakPolarHBondContact CE-OE1 3.48Å; K460-E464 WeakPolarHBondContact CE-OE2 3.48Å; K460-E464 HydrophobicContact CG-CG 4.29Å; K460-E464 WeakPolarHBondContact CG-OE2 3.38Å; K460-E464 IonicContact NZ-OE1 3.47Å; K460-E464 PolarHBondContact NZ-OE1 3.15Å; K460-E464 WeakPolarHBondContact O-CG 3.49Å; K460-E464 PolarHBondContact O-N 3Å
465	R	91.4	Very high	94.5	Very high	155 Å²	155	70 Å²	70	59%	0.585	32%	0.324	S	S	*	.	H	α-helix	trans	-88	-26	-171.2	-170.7	58.9	-171.1	86	-12.4	114.6	Y461	Y461-R465 HydrophobicContact CD2-CB 4.06Å; Y461-R465 HydrophobicContact CE2-CB 3.79Å; Y461-R465 HydrophobicContact CE2-CG 3.87Å; Y461-R465 WeakPolarHBondContact O-CB 3.43Å; Y461-R465 PolarHBondContact O-N 3.39Å
466	Y	92.3	Very high	94.7	Very high	78 Å²	78	64.6 Å²	64.6	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-128.4	-0.6	-175.2	-56	-71	0	0	0	113.9	Y461 F462 I468	Y461-Y466 AromaticContact CE1-CE2 3.78Å; Y461-Y466 HydrophobicContact CE1-CE2 3.78Å; Y461-Y466 PolarHBondContact OH-OH 2.96Å; F462-Y466 AromaticContact CD1-CD2 3.93Å; F462-Y466 HydrophobicContact CD1-CD2 3.93Å; F462-Y466 HydrophobicContact CE1-CD2 4.09Å; F462-Y466 HydrophobicContact CE1-CE2 4.33Å; F462-Y466 HydrophobicContact CG-CD2 4.37Å; F462-Y466 PolarHBondContact O-N 3.05Å; Y466-I468 PolarHBondContact O-N 3.02Å
467	N	93.5	Very high	94.9	Very high	148 Å²	148	64.2 Å²	64.2	79%	0.791	30%	0.297	S	S	*	.			trans	56.8	32.8	-172	-160.6	27.1	0	0	0	113.7	F462 Q463	F462-N467 PolarHBondContact O-N 3.45Å; Q463-N467 WeakPolarHBondContact O-CA 3.46Å; Q463-N467 PolarHBondContact O-N 2.62Å; Q463-N467 VanDerWaalsContact O-N 3.1Å
468	I	94.3	Very high	95	Very high	45 Å²	45	62.2 Å²	62.2	23%	0.231	29%	0.285	C	S	.	.			trans	-105.2	105.7	178.7	-60.4	176.2	0	0	0	109.2	H421 F462 Q463 Y466 L470	H421-I468 HydrophobicContact CB-CD1 3.47Å; H421-I468 VanDerWaalsContact CB-CD1 3.47Å; F462-I468 CarbonylContact C-O 3.34Å; F462-I468 PolarHBondContact O-N 3.38Å; F462-I468 VanDerWaalsContact O-N 3.09Å; Q463-I468 WeakPolarHBondContact CA-O 3.27Å; Q463-I468 PolarHBondContact N-O 2.98Å; Y466-I468 PolarHBondContact O-N 3.02Å; I468-L470 HydrophobicContact CG2-CD2 4.18Å
469	R	95.4	Very high	95	Very high	210 Å²	210	63.1 Å²	63.1	79%	0.792	29%	0.289	S	S	*	.			trans	-73	124.5	162	177.6	179.1	178.1	168.3	0.7	108.1
470	L	94.3	Very high	95	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.073	28%	0.281	C	S	.	.			trans	-74.7	137.2	179.6	-58.1	-179.7	0	0	0	111.7	A459 F462 I468 P473 P490 E492	A459-L470 HydrophobicContact CB-CD1 3.92Å; F462-L470 HydrophobicContact CB-CD2 4.23Å; F462-L470 HydrophobicContact CG-CD2 4.49Å; I468-L470 HydrophobicContact CG2-CD2 4.18Å; L470-P473 HydrophobicContact CB-CB 4.36Å; L470-P490 HydrophobicContact CD1-CB 4.08Å; L470-P490 HydrophobicContact CD1-CG 3.76Å; L470-P490 HydrophobicContact CD2-CB 3.98Å; L470-P490 HydrophobicContact CD2-CG 3.85Å; L470-E492 WeakPolarHBondContact CA-OE1 3.48Å; L470-E492 HydrophobicContact CD2-CG 4.15Å; L470-E492 WeakPolarHBondContact CD2-OE1 3.35Å
471	D	92.6	Very high	94.9	Very high	129 Å²	129	59.6 Å²	59.6	69%	0.69	28%	0.284	S	S	*	.	S	Bend	trans	-80.3	-32	175.3	-79.9	-31.7	0	0	0	112.1	P473 E492	D471-P473 VanDerWaalsContact O-CD 3.23Å; D471-P473 WeakPolarHBondContact O-CD 3.44Å; D471-E492 PolarHBondContact N-OE1 3.33Å; D471-E492 PolarHBondContact N-OE2 2.9Å
472	Y	94	Very high	94.5	Very high	36 Å²	36	62 Å²	62	14%	0.141	30%	0.297	C	S	.	.			trans	-119	53.3	-178	-53.3	-86.8	0	0	0	112.9	I381 H474 L475 E492	I381-Y472 HydrophobicContact CD1-CD2 4.01Å; I381-Y472 HydrophobicContact CD1-CE2 4.47Å; I381-Y472 HydrophobicContact CD1-CG 4.22Å; I381-Y472 HydrophobicContact CG1-CD2 4.43Å; Y472-H474 PolarHBondContact O-N 3.1Å; Y472-H474 VanDerWaalsContact O-N 3.09Å; Y472-L475 HydrophobicContact CD1-CD1 4.25Å; Y472-L475 HydrophobicContact CG-CD1 4.1Å; Y472-L475 WeakPolarHBondContact O-CB 3.47Å; Y472-L475 PolarHBondContact O-N 3.41Å; Y472-E492 WeakPolarHBondContact CA-OE2 3.49Å; Y472-E492 WeakPolarHBondContact CB-OE2 3.21Å; Y472-E492 HydrophobicContact CD2-CB 4.27Å; Y472-E492 PolarHBondContact N-OE2 3.07Å
473	P	94.8	Very high	94.1	Very high	34 Å²	34	66.8 Å²	66.8	22%	0.221	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.5	-172.9	29.6	-37.1	0	0	0	113.7	S439 Q440 L470 D471 L475	S439-P473 PolarHBondContact N-O 3.17Å; S439-P473 VanDerWaalsContact N-O 3.09Å; Q440-P473 HydrophobicContact CB-CB 4.21Å; Q440-P473 WeakPolarHBondContact CG-O 3.19Å; Q440-P473 PolarHBondContact N-O 3.16Å; L470-P473 HydrophobicContact CB-CB 4.36Å; D471-P473 VanDerWaalsContact O-CD 3.23Å; D471-P473 WeakPolarHBondContact O-CD 3.44Å; P473-L475 VanDerWaalsContact C-N 3.32Å
474	H	94.2	Very high	93.9	Very high	28 Å²	28	68.8 Å²	68.8	13%	0.13	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.5	174.2	57.1	-81.7	0	0	0	114.4	Q396 R398 P399 P438 Y472	Q396-H474 PolarHBondContact O-NE2 2.63Å; R398-H474 PolarHBondContact O-CD2 3.17Å; P399-H474 WeakPolarHBondContact CA-O 3.47Å; P399-H474 HydrophobicContact CG-CB 4.34Å; P438-H474 VanDerWaalsContact CB-C 3.48Å; P438-H474 VanDerWaalsContact CB-O 3.29Å; P438-H474 WeakPolarHBondContact CB-O 3.5Å; Y472-H474 PolarHBondContact O-N 3.1Å; Y472-H474 VanDerWaalsContact O-N 3.09Å
475	L	96	Very high	93.8	Very high	3 Å²	3	68 Å²	68	2%	0.016	32%	0.324	C	S	.	.	S	Bend	trans	-90.4	149.2	173.7	-64.9	-176.8	0	0	0	111.7	I381 M384 Q396 L400 P438 S439 Y472 P473 L491	I381-L475 HydrophobicContact CD1-CD1 3.64Å; M384-L475 HydrophobicContact CE-CD1 3.73Å; M384-L475 HydrophobicContact CE-CD2 4.21Å; M384-L475 HydrophobicContact SD-CD1 4.17Å; M384-L475 HydrophobicContact SD-CD2 4.23Å; Q396-L475 HydrophobicContact CG-CD2 4.15Å; L400-L475 HydrophobicContact CD2-CD2 4.21Å; L400-L475 HydrophobicContact CG-CD2 4.2Å; P438-L475 CarbonylContact C-O 3.6Å; P438-L475 WeakPolarHBondContact CA-O 3.36Å; S439-L475 PolarHBondContact N-O 3.44Å; S439-L475 PolarHBondContact OG-O 3.28Å; Y472-L475 HydrophobicContact CD1-CD1 4.25Å; Y472-L475 HydrophobicContact CG-CD1 4.1Å; Y472-L475 WeakPolarHBondContact O-CB 3.47Å; Y472-L475 PolarHBondContact O-N 3.41Å; P473-L475 VanDerWaalsContact C-N 3.32Å; L475-L491 HydrophobicContact CB-CD1 4.12Å; L475-L491 HydrophobicContact CB-CG 4.48Å; L475-L491 HydrophobicContact CD1-CD1 4.14Å
476	P	97.2	Very high	93.8	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.039	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	164	179.5	31.5	-37.2	0	0	0	112.4	L400 V434 T435 L491	L400-P476 HydrophobicContact CD1-CG 4.1Å; V434-P476 HydrophobicContact CG1-CB 3.79Å; V434-P476 HydrophobicContact CG1-CG 3.68Å; T435-P476 VanDerWaalsContact O-CB 3.29Å; T435-P476 WeakPolarHBondContact O-CB 3.42Å; P476-L491 WeakPolarHBondContact O-CD2 3.39Å; P476-L491 VanDerWaalsContact O-CG 3.24Å; P476-L491 WeakPolarHBondContact O-CG 3.15Å
477	C	98	Very high	93.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	155.1	174.4	-44.9	0	0	0	0	111.3	V434 T435 S439 L489	V434-C477 WeakPolarHBondContact CA-O 3.16Å; T435-C477 HydrophobicContact CG2-CB 3.98Å; T435-C477 PolarHBondContact N-O 3.2Å; T435-C477 PolarHBondContact OG1-N 3.47Å; T435-C477 PolarHBondContact OG1-O 3.15Å; S439-C477 PolarHBondContact OG-SG 2.92Å; C477-L489 CarbonylContact C-O 3.38Å; C477-L489 VanDerWaalsContact CA-O 3.28Å; C477-L489 WeakPolarHBondContact CA-O 3.35Å; C477-L489 WeakPolarHBondContact CB-O 3.37Å
478	L	98.2	Very high	94.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.1	161.2	-53	-178	0	0	0	108.9	V380 F408 I412 V417 V431 V434 V480 Y488 L489 L491 C494	V380-L478 HydrophobicContact CG1-CD1 4.21Å; V380-L478 HydrophobicContact CG1-CD2 4.39Å; V380-L478 HydrophobicContact CG2-CD1 4.25Å; F408-L478 HydrophobicContact CE1-CD2 4.26Å; F408-L478 HydrophobicContact CZ-CD2 4.32Å; I412-L478 HydrophobicContact CD1-CD1 4.25Å; I412-L478 HydrophobicContact CD1-CD2 3.83Å; I412-L478 HydrophobicContact CG2-CD2 4.38Å; V417-L478 HydrophobicContact CB-CD1 4.49Å; V417-L478 HydrophobicContact CG1-CD1 3.97Å; V417-L478 HydrophobicContact CG2-CD1 4.04Å; V431-L478 HydrophobicContact CG1-CB 4.32Å; V431-L478 HydrophobicContact CG1-CD2 4.22Å; V431-L478 HydrophobicContact CG2-CB 4.46Å; V431-L478 HydrophobicContact CG2-CD1 3.86Å; V434-L478 HydrophobicContact CG2-CD2 4.17Å; L478-V480 HydrophobicContact CB-CG1 4.17Å; L478-Y488 CarbonylContact O-C 3.38Å; L478-Y488 WeakPolarHBondContact O-CA 3.14Å; L478-L489 PolarHBondContact N-O 2.84Å; L478-L489 PolarHBondContact O-N 3.5Å; L478-L491 HydrophobicContact CD2-CD2 3.53Å; L478-L491 HydrophobicContact CG-CD2 3.73Å; L478-C494 HydrophobicContact CD1-CB 4.16Å
479	Q	97.8	Very high	94.3	Very high	19 Å²	19	57.5 Å²	57.5	9%	0.089	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.9	162.2	-166.7	-169.9	8.1	0	0	108.1	C432 N433 E483 K485 T487 Y488	C432-Q479 PolarHBondContact N-O 3.32Å; C432-Q479 VanDerWaalsContact SG-C 3.55Å; C432-Q479 PolarHBondContact SG-O 3.11Å; N433-Q479 HydrophobicContact CB-CB 3.84Å; N433-Q479 VanDerWaalsContact CB-OE1 3.24Å; N433-Q479 PolarHBondContact N-O 3.21Å; N433-Q479 PolarHBondContact O-N 2.84Å; Q479-E483 PolarHBondContact NE2-O 2.9Å; Q479-K485 PolarHBondContact NE2-O 3.02Å; Q479-T487 WeakPolarHBondContact CA-O 3.4Å; Q479-Y488 HydrophobicContact CB-CD1 4.04Å; Q479-Y488 HydrophobicContact CB-CE1 4.04Å; Q479-Y488 HydrophobicContact CG-CD1 4.06Å; Q479-Y488 HydrophobicContact CG-CE1 3.76Å
480	V	96.6	Very high	94.4	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	152.4	-174.5	-63.2	0	0	0	0	113.9	V417 Y429 R430 V431 L478 T487 L489	V417-V480 HydrophobicContact CG2-CG1 4.34Å; Y429-V480 HydrophobicContact CD1-CB 4.38Å; Y429-V480 HydrophobicContact CD1-CG2 3.91Å; Y429-V480 HydrophobicContact CG-CB 4.36Å; Y429-V480 HydrophobicContact CG-CG2 4.05Å; R430-V480 VanDerWaalsContact O-CA 3.32Å; R430-V480 WeakPolarHBondContact O-CA 3.28Å; V431-V480 HydrophobicContact CG2-CG1 4.33Å; L478-V480 HydrophobicContact CB-CG1 4.17Å; V480-T487 HydrophobicContact CG2-CG2 3.59Å; V480-T487 PolarHBondContact N-O 2.87Å; V480-L489 HydrophobicContact CG1-CD1 4.05Å; V480-L489 HydrophobicContact CG2-CD1 3.94Å; V480-L489 HydrophobicContact CG2-CG 4.16Å
481	G	91.5	Very high	94.5	Very high	49 Å²	49	47 Å²	47	51%	0.505	24%	0.24	S	C	.	.	S	Bend	trans	85.8	-113.6	174.9	0	0	0	0	0	113.3	R430	R430-G481 PolarHBondContact O-N 3.13Å
482	Q	89.6	Confident	94.6	Very high	106 Å²	106	42.7 Å²	42.7	50%	0.495	22%	0.216	S	C	.	.			trans	-91	128.2	179.3	-69.9	175.5	-40.1	0	0	109.3	Q484 K485	Q482-Q484 PolarHBondContact O-N 3.2Å; Q482-Q484 VanDerWaalsContact O-N 3.14Å; Q482-K485 HydrophobicContact CB-CB 4.31Å; Q482-K485 HydrophobicContact CB-CD 4.41Å; Q482-K485 HydrophobicContact CB-CG 4.23Å; Q482-K485 PolarHBondContact O-N 2.99Å; Q482-K485 VanDerWaalsContact OE1-CD 3.24Å
483	E	88.2	Confident	94.7	Very high	103 Å²	103	41.3 Å²	41.3	48%	0.481	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.3	-179.2	-71.6	-175.1	169.8	0	0	112.9	K413 C432 Q479 K485	K413-E483 IonicContact NZ-OE1 3.2Å; K413-E483 PolarHBondContact NZ-OE1 3.28Å; C432-E483 HydrophobicContact CB-CG 3.48Å; C432-E483 VanDerWaalsContact CB-CG 3.48Å; Q479-E483 PolarHBondContact NE2-O 2.9Å; E483-K485 VanDerWaalsContact C-N 3.28Å; E483-K485 PolarHBondContact O-N 3.15Å
484	Q	88.8	Confident	94.8	Very high	155 Å²	155	39.7 Å²	39.7	72%	0.724	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	1	174	-54.3	81.1	1.7	0	0	113.8	Q482	Q482-Q484 PolarHBondContact O-N 3.2Å; Q482-Q484 VanDerWaalsContact O-N 3.14Å
485	K	90.7	Very high	95	Very high	110 Å²	110	40.6 Å²	40.6	48%	0.478	21%	0.206	S	C	.	.	S	Bend	trans	-120.1	149.2	-178.5	-72.7	-169.9	175.6	166.1	0	112.8	Q479 Q482 E483 T487	Q479-K485 PolarHBondContact NE2-O 3.02Å; Q482-K485 HydrophobicContact CB-CB 4.31Å; Q482-K485 HydrophobicContact CB-CD 4.41Å; Q482-K485 HydrophobicContact CB-CG 4.23Å; Q482-K485 PolarHBondContact O-N 2.99Å; Q482-K485 VanDerWaalsContact OE1-CD 3.24Å; E483-K485 VanDerWaalsContact C-N 3.28Å; E483-K485 PolarHBondContact O-N 3.15Å; K485-T487 PolarHBondContact O-N 2.8Å
486	H	91.8	Very high	95	Very high	98 Å²	98	40.6 Å²	40.6	45%	0.454	21%	0.207	S	C	.	.			trans	-88.5	33.7	-173	-45.9	120.4	0	0	0	113	F444 Y488	F444-H486 HydrophobicContact CB-CB 3.9Å; H486-Y488 HydrophobicContact CB-CE2 3.84Å; H486-Y488 VanDerWaalsContact O-CD2 3.27Å; H486-Y488 WeakPolarHBondContact O-CD2 3.48Å; H486-Y488 PolarHBondContact O-N 3.34Å
487	T	95.5	Very high	94.8	Very high	58 Å²	58	41 Å²	41	36%	0.356	21%	0.209	S	C	.	.			trans	-81.6	99.4	179.2	-50.3	0	0	0	0	109.5	Q479 V480 K485	Q479-T487 WeakPolarHBondContact CA-O 3.4Å; V480-T487 HydrophobicContact CG2-CG2 3.59Å; V480-T487 PolarHBondContact N-O 2.87Å; K485-T487 PolarHBondContact O-N 2.8Å
488	Y	97.5	Very high	94.5	Very high	39 Å²	39	43.5 Å²	43.5	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.4	-178.8	-55.2	-56.2	0	0	0	111.4	T435 Q442 S443 F444 V458 L478 Q479 H486	T435-Y488 HydrophobicContact CG2-CD1 3.57Å; T435-Y488 HydrophobicContact CG2-CE1 3.7Å; T435-Y488 HydrophobicContact CG2-CG 4.36Å; Q442-Y488 HydrophobicContact CG-CD2 3.98Å; Q442-Y488 HydrophobicContact CG-CE2 4.21Å; Q442-Y488 HydrophobicContact CG-CG 4.22Å; S443-Y488 WeakPolarHBondContact O-CE2 3.49Å; F444-Y488 HydrophobicContact CB-CD2 4.09Å; F444-Y488 HydrophobicContact CB-CE2 3.98Å; F444-Y488 HydrophobicContact CD1-CD2 4.5Å; V458-Y488 HydrophobicContact CG2-CD2 4.17Å; V458-Y488 HydrophobicContact CG2-CG 4.36Å; L478-Y488 CarbonylContact O-C 3.38Å; L478-Y488 WeakPolarHBondContact O-CA 3.14Å; Q479-Y488 HydrophobicContact CB-CD1 4.04Å; Q479-Y488 HydrophobicContact CB-CE1 4.04Å; Q479-Y488 HydrophobicContact CG-CD1 4.06Å; Q479-Y488 HydrophobicContact CG-CE1 3.76Å; H486-Y488 HydrophobicContact CB-CE2 3.84Å; H486-Y488 VanDerWaalsContact O-CD2 3.27Å; H486-Y488 WeakPolarHBondContact O-CD2 3.48Å; H486-Y488 PolarHBondContact O-N 3.34Å
489	L	97.4	Very high	94.1	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.7	175.6	-60.3	175.9	0	0	0	110.4	I419 Y429 F462 C477 L478 V480 C494	I419-L489 HydrophobicContact CG2-CD1 3.88Å; I419-L489 HydrophobicContact CG2-CD2 4.28Å; Y429-L489 HydrophobicContact CD2-CD1 4.12Å; F462-L489 HydrophobicContact CZ-CD2 4.38Å; C477-L489 CarbonylContact C-O 3.38Å; C477-L489 VanDerWaalsContact CA-O 3.28Å; C477-L489 WeakPolarHBondContact CA-O 3.35Å; C477-L489 WeakPolarHBondContact CB-O 3.37Å; L478-L489 PolarHBondContact N-O 2.84Å; L478-L489 PolarHBondContact O-N 3.5Å; V480-L489 HydrophobicContact CG1-CD1 4.05Å; V480-L489 HydrophobicContact CG2-CD1 3.94Å; V480-L489 HydrophobicContact CG2-CG 4.16Å; L489-C494 VanDerWaalsContact CB-SG 3.59Å
490	P	97.5	Very high	93.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	150.5	166.8	-25.1	33.9	0	0	0	112.1	V458 F462 L470 E492 V493 C494	V458-P490 HydrophobicContact CG1-CG 3.74Å; F462-P490 HydrophobicContact CD2-CG 3.96Å; F462-P490 VanDerWaalsContact CE2-CD 3.45Å; F462-P490 HydrophobicContact CE2-CG 4Å; F462-P490 HydrophobicContact CG-CG 4.26Å; F462-P490 HydrophobicContact CZ-CG 4.33Å; L470-P490 HydrophobicContact CD1-CB 4.08Å; L470-P490 HydrophobicContact CD1-CG 3.76Å; L470-P490 HydrophobicContact CD2-CB 3.98Å; L470-P490 HydrophobicContact CD2-CG 3.85Å; P490-E492 VanDerWaalsContact C-N 3.34Å; P490-E492 HydrophobicContact CB-CG 4.11Å; P490-E492 PolarHBondContact O-N 3.2Å; P490-V493 HydrophobicContact CB-CG2 4.1Å; P490-V493 HydrophobicContact CG-CG2 4.23Å; P490-V493 WeakPolarHBondContact O-CG2 3.44Å; P490-V493 PolarHBondContact O-N 3.49Å; P490-C494 PolarHBondContact O-SG 2.87Å
491	L	97	Very high	93.7	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-64.6	-39.5	-178.8	-54	-167.5	0	0	0	112.1	V380 I381 M384 F408 L475 P476 L478 V493 C494	V380-L491 HydrophobicContact CG1-CB 4.05Å; V380-L491 HydrophobicContact CG1-CD2 3.99Å; V380-L491 HydrophobicContact CG1-CG 4.43Å; I381-L491 HydrophobicContact CD1-CB 3.63Å; I381-L491 HydrophobicContact CD1-CD1 4.42Å; I381-L491 HydrophobicContact CG1-CB 4.32Å; M384-L491 HydrophobicContact SD-CD1 3.73Å; F408-L491 HydrophobicContact CE1-CD1 4.27Å; F408-L491 HydrophobicContact CE1-CD2 4.23Å; F408-L491 HydrophobicContact CZ-CD1 4.2Å; F408-L491 HydrophobicContact CZ-CD2 4.26Å; L475-L491 HydrophobicContact CB-CD1 4.12Å; L475-L491 HydrophobicContact CB-CG 4.48Å; L475-L491 HydrophobicContact CD1-CD1 4.14Å; P476-L491 WeakPolarHBondContact O-CD2 3.39Å; P476-L491 VanDerWaalsContact O-CG 3.24Å; P476-L491 WeakPolarHBondContact O-CG 3.15Å; L478-L491 HydrophobicContact CD2-CD2 3.53Å; L478-L491 HydrophobicContact CG-CD2 3.73Å; L491-V493 VanDerWaalsContact C-N 3.31Å; L491-V493 PolarHBondContact O-N 2.9Å; L491-C494 PolarHBondContact O-N 3.11Å
492	E	95	Very high	93.8	Very high	39 Å²	39	44.6 Å²	44.6	18%	0.182	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.6	-178.3	60.6	-165	-104.3	0	0	114.5	I381 L470 D471 Y472 P490 C494	I381-E492 HydrophobicContact CD1-CB 4.48Å; I381-E492 HydrophobicContact CG1-CB 4.25Å; L470-E492 WeakPolarHBondContact CA-OE1 3.48Å; L470-E492 HydrophobicContact CD2-CG 4.15Å; L470-E492 WeakPolarHBondContact CD2-OE1 3.35Å; D471-E492 PolarHBondContact N-OE1 3.33Å; D471-E492 PolarHBondContact N-OE2 2.9Å; Y472-E492 WeakPolarHBondContact CA-OE2 3.49Å; Y472-E492 WeakPolarHBondContact CB-OE2 3.21Å; Y472-E492 HydrophobicContact CD2-CB 4.27Å; Y472-E492 PolarHBondContact N-OE2 3.07Å; P490-E492 VanDerWaalsContact C-N 3.34Å; P490-E492 HydrophobicContact CB-CG 4.11Å; P490-E492 PolarHBondContact O-N 3.2Å; E492-C494 VanDerWaalsContact C-N 3.26Å; E492-C494 PolarHBondContact O-N 2.94Å
493	V	95.8	Very high	93.7	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.036	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	13.4	177.8	-53.6	0	0	0	0	113.7	I419 T420 H421 F462 P490 L491	I419-V493 WeakPolarHBondContact CA-O 3.17Å; T420-V493 PolarHBondContact N-O 2.97Å; T420-V493 VanDerWaalsContact OG1-C 3.31Å; T420-V493 VanDerWaalsContact OG1-CA 3.3Å; T420-V493 WeakPolarHBondContact OG1-CA 3.28Å; T420-V493 PolarHBondContact OG1-O 2.72Å; H421-V493 HydrophobicContact CB-CB 4.31Å; H421-V493 HydrophobicContact CB-CG1 4.31Å; F462-V493 HydrophobicContact CD1-CG1 4.2Å; F462-V493 HydrophobicContact CE1-CB 4.31Å; F462-V493 HydrophobicContact CE1-CG1 3.98Å; F462-V493 HydrophobicContact CE1-CG2 3.82Å; F462-V493 HydrophobicContact CZ-CG2 3.99Å; P490-V493 HydrophobicContact CB-CG2 4.1Å; P490-V493 HydrophobicContact CG-CG2 4.23Å; P490-V493 WeakPolarHBondContact O-CG2 3.44Å; P490-V493 PolarHBondContact O-N 3.49Å; L491-V493 VanDerWaalsContact C-N 3.31Å; L491-V493 PolarHBondContact O-N 2.9Å
494	C	97.1	Very high	93.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.1	-174	-64.6	0	0	0	0	112.7	V380 V417 E418 L478 L489 P490 L491 E492	V380-C494 HydrophobicContact CB-CB 4.14Å; V380-C494 HydrophobicContact CG2-CB 3.66Å; V380-C494 WeakPolarHBondContact CG2-O 3.28Å; V380-C494 PolarHBondContact N-O 2.86Å; V417-C494 HydrophobicContact CB-CB 4.29Å; E418-C494 WeakPolarHBondContact O-CA 3.4Å; L478-C494 HydrophobicContact CD1-CB 4.16Å; L489-C494 VanDerWaalsContact CB-SG 3.59Å; P490-C494 PolarHBondContact O-SG 2.87Å; L491-C494 PolarHBondContact O-N 3.11Å; E492-C494 VanDerWaalsContact C-N 3.26Å; E492-C494 PolarHBondContact O-N 2.94Å
495	N	97.1	Very high	93.5	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	149.1	167.6	-75.2	-4	0	0	0	111.4	V417 E418 T420 V497	V417-N495 CarbonylContact C-O 3.57Å; V417-N495 WeakPolarHBondContact CA-O 3.37Å; V417-N495 WeakPolarHBondContact CB-O 3.27Å; E418-N495 HydrophobicContact CG-CB 4.1Å; E418-N495 PolarHBondContact N-O 2.72Å; E418-N495 PolarHBondContact O-N 2.9Å; T420-N495 HydrophobicContact CG2-CB 4.47Å; N495-V497 PolarHBondContact O-N 3.38Å
496	M	96.3	Very high	93.5	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.02	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.4	170.9	-67.3	-59.6	-65.4	0	0	110	K376 Q378 V380 F383 I412 L415 V417 A498	K376-M496 WeakPolarHBondContact O-CB 3.36Å; Q378-M496 WeakPolarHBondContact O-CB 3.29Å; Q378-M496 PolarHBondContact O-N 2.85Å; V380-M496 HydrophobicContact CG2-CG 4.3Å; V380-M496 HydrophobicContact CG2-SD 3.91Å; F383-M496 HydrophobicContact CB-CG 4.05Å; F383-M496 HydrophobicContact CD1-SD 4.37Å; F383-M496 HydrophobicContact CD2-CE 4.25Å; F383-M496 HydrophobicContact CD2-CG 4.25Å; F383-M496 HydrophobicContact CD2-SD 4.43Å; F383-M496 HydrophobicContact CE2-CE 4.26Å; F383-M496 HydrophobicContact CG-CG 4.14Å; F383-M496 HydrophobicContact CG-SD 4.18Å; I412-M496 HydrophobicContact CD1-SD 4.29Å; L415-M496 HydrophobicContact CB-CE 4.04Å; L415-M496 HydrophobicContact CD1-CE 3.54Å; L415-M496 HydrophobicContact CG-CE 4.42Å; V417-M496 HydrophobicContact CG1-SD 3.99Å; M496-A498 PolarHBondContact O-N 2.81Å
497	V	93.9	Very high	93.4	Very high	15 Å²	15	35.9 Å²	35.9	9%	0.091	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-66.8	131	-179.5	-177.5	0	0	0	0	109.9	K416 V417 E418 K428 N495 Q500	K416-V497 HydrophobicContact CB-CB 4.21Å; K416-V497 HydrophobicContact CB-CG2 3.98Å; K416-V497 PolarHBondContact O-N 3.01Å; V417-V497 VanDerWaalsContact C-CG2 3.5Å; E418-V497 HydrophobicContact CB-CG2 3.93Å; E418-V497 HydrophobicContact CG-CG2 4Å; K428-V497 HydrophobicContact CG-CG2 3.99Å; N495-V497 PolarHBondContact O-N 3.38Å; V497-Q500 VanDerWaalsContact O-CG 3.32Å; V497-Q500 WeakPolarHBondContact O-CG 3.43Å; V497-Q500 PolarHBondContact O-NE2 2.94Å
498	A	91.1	Very high	93.1	Very high	51 Å²	51	37.5 Å²	37.5	42%	0.421	20%	0.198	S	C	.	.	S	Bend	trans	-60.5	165	177.9	0	0	0	0	0	113.6	A377 M496 Q500	A377-A498 HydrophobicContact CB-CB 3.9Å; M496-A498 PolarHBondContact O-N 2.81Å; A498-Q500 VanDerWaalsContact C-N 3.28Å; A498-Q500 PolarHBondContact O-N 3.33Å
499	G	90	Very high	92.7	Very high	22 Å²	22	42.1 Å²	42.1	23%	0.227	22%	0.222	C	C	.	.	S	Bend	trans	68.7	21.5	174.9	0	0	0	0	0	114.8	F374	F374-G499 WeakPolarHBondContact CE1-O 3.43Å
500	Q	93.2	Very high	92.5	Very high	17 Å²	17	42.1 Å²	42.1	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.3	176.7	-68.5	-170.4	100	0	0	111.8	F374 Y375 K416 V497 A498 C502	F374-Q500 CarbonylContact C-O 3.55Å; F374-Q500 WeakPolarHBondContact CA-O 3.08Å; Y375-Q500 HydrophobicContact CD2-CB 4.2Å; Y375-Q500 WeakPolarHBondContact CD2-O 3.1Å; Y375-Q500 PolarHBondContact N-O 2.88Å; K416-Q500 VanDerWaalsContact CB-OE1 3.24Å; K416-Q500 VanDerWaalsContact CE-OE1 3.26Å; K416-Q500 PolarHBondContact O-NE2 3.08Å; V497-Q500 VanDerWaalsContact O-CG 3.32Å; V497-Q500 WeakPolarHBondContact O-CG 3.43Å; V497-Q500 PolarHBondContact O-NE2 2.94Å; A498-Q500 VanDerWaalsContact C-N 3.28Å; A498-Q500 PolarHBondContact O-N 3.33Å; Q500-C502 PolarHBondContact O-N 2.77Å
501	R	93.3	Very high	92.2	Very high	42 Å²	42	42.6 Å²	42.6	16%	0.158	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	131.3	172.8	178	-175	176.3	-160.1	-5.8	111	V123 D125 F374 I503	V123-R501 PolarHBondContact O-NH2 2.82Å; V123-R501 VanDerWaalsContact O-NH2 3.09Å; D125-R501 IonicContact OD2-NH1 3.36Å; F374-R501 HydrophobicContact CD1-CB 4.49Å; F374-R501 HydrophobicContact CE1-CB 4.19Å; F374-R501 HydrophobicContact CZ-CB 4.29Å; R501-I503 HydrophobicContact CG-CG1 4.45Å; R501-I503 PolarHBondContact O-N 2.86Å
502	C	93	Very high	91.9	Very high	11 Å²	11	45.3 Å²	45.3	7%	0.074	24%	0.244	C	C	.	.			trans	-75.6	110	168.8	-172.8	0	0	0	0	109.8	A373 Y375 Q500	A373-C502 HydrophobicContact CB-CB 3.89Å; A373-C502 WeakPolarHBondContact O-CB 3.42Å; A373-C502 PolarHBondContact O-N 2.74Å; Y375-C502 HydrophobicContact CD2-CB 4.3Å; Y375-C502 HydrophobicContact CE2-CB 3.96Å; Q500-C502 PolarHBondContact O-N 2.77Å
503	I	88.2	Confident	91.8	Very high	98 Å²	98	46 Å²	46	50%	0.503	25%	0.251	S	S	.	.			trans	-91.6	-22.3	176.3	-56.8	174	0	0	0	110.8	R501 A753	R501-I503 HydrophobicContact CG-CG1 4.45Å; R501-I503 PolarHBondContact O-N 2.86Å; I503-A753 HydrophobicContact CG2-CB 3.92Å
504	K	86.5	Confident	91.6	Very high	66 Å²	66	46.9 Å²	46.9	29%	0.287	26%	0.255	S	S	.	.	S	Bend	trans	-66.4	146.5	178.3	-59.5	-176	-172.1	177.3	0	109.5	Y375 K410 E411 K413 L506	Y375-K504 WeakPolarHBondContact OH-CD 3.29Å; K410-K504 PolarHBondContact O-NZ 3.49Å; E411-K504 VanDerWaalsContact C-NZ 3.34Å; E411-K504 PolarHBondContact O-NZ 2.85Å; K413-K504 PolarHBondContact O-NZ 3.21Å; K413-K504 VanDerWaalsContact O-NZ 3.15Å; K504-L506 PolarHBondContact O-N 3.11Å
505	K	86.3	Confident	91.1	Very high	149 Å²	149	49.8 Å²	49.8	65%	0.648	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-62.8	133.2	180	-168.1	-172.9	171.8	-176.2	0	109.9	R346	R346-K505 PolarHBondContact NH1-O 2.81Å
506	L	89.7	Confident	90.7	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.042	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.3	149.2	171.7	-63.7	-172.1	0	0	0	111.2	V120 L342 A373 K504 Q510 M514	V120-L506 HydrophobicContact CG1-CB 4.41Å; V120-L506 HydrophobicContact CG1-CD1 4.15Å; V120-L506 HydrophobicContact CG1-CG 4.18Å; L342-L506 HydrophobicContact CD1-CD1 4.23Å; L342-L506 HydrophobicContact CD1-CD2 4.44Å; A373-L506 HydrophobicContact CB-CD1 4.24Å; A373-L506 HydrophobicContact CB-CD2 3.9Å; K504-L506 PolarHBondContact O-N 3.11Å; L506-Q510 HydrophobicContact CB-CB 3.9Å; L506-Q510 HydrophobicContact CD1-CB 4.39Å; L506-Q510 HydrophobicContact CD2-CB 4.32Å; L506-Q510 HydrophobicContact CG-CB 4.43Å; L506-M514 HydrophobicContact CD1-CB 4.35Å; L506-M514 HydrophobicContact CD1-SD 3.65Å
507	T	90.7	Very high	90.2	Very high	68 Å²	68	56.1 Å²	56.1	42%	0.417	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-65.4	162.9	169.6	69.6	0	0	0	0	110.5	M509 Q510 T511	T507-M509 PolarHBondContact O-N 2.8Å; T507-Q510 PolarHBondContact O-N 3.23Å; T507-Q510 WeakPolarHBondContact OG1-CB 3.46Å; T507-Q510 VanDerWaalsContact OG1-CG 3.28Å; T507-Q510 WeakPolarHBondContact OG1-CG 3.46Å; T507-Q510 PolarHBondContact OG1-N 3.44Å; T507-Q510 VanDerWaalsContact OG1-N 3.07Å; T507-T511 VanDerWaalsContact O-CB 3.29Å; T507-T511 WeakPolarHBondContact O-CB 3.49Å; T507-T511 PolarHBondContact O-N 3.34Å; T507-T511 PolarHBondContact O-OG1 2.93Å
508	D	87.8	Confident	89.9	Confident	92 Å²	92	57.3 Å²	57.3	49%	0.492	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-30.3	177.6	-58.5	-2.8	0	0	0	111.1	S512 K675	D508-S512 PolarHBondContact O-N 3.33Å; D508-K675 VanDerWaalsContact CG-NZ 3.26Å; D508-K675 IonicContact OD1-NZ 3.85Å; D508-K675 PolarHBondContact OD1-NZ 2.93Å; D508-K675 VanDerWaalsContact OD1-NZ 3.08Å; D508-K675 IonicContact OD2-NZ 2.87Å; D508-K675 PolarHBondContact OD2-NZ 2.84Å
509	M	90.1	Very high	89.7	Confident	136 Å²	136	56.6 Å²	56.6	67%	0.67	30%	0.301	S	S	*	.	H	α-helix	trans	-72.8	-52	174.2	-174.4	169.6	78	0	0	112.3	T507 T511 S512 T513	T507-M509 PolarHBondContact O-N 2.8Å; M509-T511 PolarHBondContact O-N 3.32Å; M509-S512 WeakPolarHBondContact O-CA 3.38Å; M509-S512 VanDerWaalsContact O-CB 3.29Å; M509-S512 WeakPolarHBondContact O-CB 3.39Å; M509-S512 PolarHBondContact O-N 3.16Å; M509-T513 PolarHBondContact O-N 3.16Å; M509-T513 PolarHBondContact O-OG1 3.28Å
510	Q	93.1	Very high	89.8	Confident	11 Å²	11	59 Å²	59	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-55.5	-38.4	174.7	-74.4	166.2	-8.2	0	0	111.6	L342 G343 L506 T507 T513 M514	L342-Q510 HydrophobicContact CB-CB 4.44Å; L342-Q510 HydrophobicContact CB-CG 4.12Å; L342-Q510 VanDerWaalsContact O-CG 3.28Å; L342-Q510 WeakPolarHBondContact O-CG 3.47Å; G343-Q510 PolarHBondContact O-NE2 2.98Å; L506-Q510 HydrophobicContact CB-CB 3.9Å; L506-Q510 HydrophobicContact CD1-CB 4.39Å; L506-Q510 HydrophobicContact CD2-CB 4.32Å; L506-Q510 HydrophobicContact CG-CB 4.43Å; T507-Q510 PolarHBondContact O-N 3.23Å; T507-Q510 WeakPolarHBondContact OG1-CB 3.46Å; T507-Q510 VanDerWaalsContact OG1-CG 3.28Å; T507-Q510 WeakPolarHBondContact OG1-CG 3.46Å; T507-Q510 PolarHBondContact OG1-N 3.44Å; T507-Q510 VanDerWaalsContact OG1-N 3.07Å; Q510-T513 PolarHBondContact O-N 3.3Å; Q510-M514 WeakPolarHBondContact O-CB 3.32Å; Q510-M514 PolarHBondContact O-N 3.09Å
511	T	91.8	Very high	89.9	Confident	10 Å²	10	59.4 Å²	59.4	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-43.3	174.4	-61.6	0	0	0	0	111.7	P118 V120 T507 M509 I515	P118-T511 HydrophobicContact CB-CG2 3.98Å; P118-T511 HydrophobicContact CG-CG2 3.62Å; V120-T511 HydrophobicContact CG2-CG2 3.51Å; T507-T511 VanDerWaalsContact O-CB 3.29Å; T507-T511 WeakPolarHBondContact O-CB 3.49Å; T507-T511 PolarHBondContact O-N 3.34Å; T507-T511 PolarHBondContact O-OG1 2.93Å; M509-T511 PolarHBondContact O-N 3.32Å; T511-I515 HydrophobicContact CG2-CD1 3.79Å; T511-I515 WeakPolarHBondContact O-CB 3.32Å; T511-I515 WeakPolarHBondContact O-CD1 3.44Å; T511-I515 WeakPolarHBondContact O-CG1 3.49Å; T511-I515 PolarHBondContact O-N 2.96Å
512	S	89.9	Confident	90.1	Very high	59 Å²	59	57.5 Å²	57.5	41%	0.413	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-46.6	175.4	-169.7	0	0	0	0	111.8	D508 M509 I515 K516	D508-S512 PolarHBondContact O-N 3.33Å; M509-S512 WeakPolarHBondContact O-CA 3.38Å; M509-S512 VanDerWaalsContact O-CB 3.29Å; M509-S512 WeakPolarHBondContact O-CB 3.39Å; M509-S512 PolarHBondContact O-N 3.16Å; S512-I515 PolarHBondContact O-N 3.05Å; S512-K516 WeakPolarHBondContact O-CG 3.43Å; S512-K516 PolarHBondContact O-N 2.74Å
513	T	92.2	Very high	90.3	Very high	53 Å²	53	58.9 Å²	58.9	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-46.7	176.9	-53.3	0	0	0	0	111.6	L342 M509 Q510 I515 K516 A517	L342-T513 HydrophobicContact CD2-CG2 3.94Å; M509-T513 PolarHBondContact O-N 3.16Å; M509-T513 PolarHBondContact O-OG1 3.28Å; Q510-T513 PolarHBondContact O-N 3.3Å; T513-I515 VanDerWaalsContact C-N 3.34Å; T513-I515 PolarHBondContact O-N 2.87Å; T513-K516 PolarHBondContact O-N 3.11Å; T513-A517 PolarHBondContact O-N 2.89Å
514	M	91.6	Very high	90.6	Very high	26 Å²	26	58 Å²	58	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-43.5	176.4	-173.3	-174.7	179.9	0	0	111.8	L342 V348 A371 L506 Q510 A517 T518	L342-M514 HydrophobicContact CD2-CB 3.98Å; V348-M514 HydrophobicContact CG2-CG 4.24Å; A371-M514 WeakPolarHBondContact O-CE 3.28Å; L506-M514 HydrophobicContact CD1-CB 4.35Å; L506-M514 HydrophobicContact CD1-SD 3.65Å; Q510-M514 WeakPolarHBondContact O-CB 3.32Å; Q510-M514 PolarHBondContact O-N 3.09Å; M514-A517 PolarHBondContact O-N 2.95Å; M514-T518 HydrophobicContact CG-CG2 4.3Å; M514-T518 WeakPolarHBondContact O-CB 3.5Å; M514-T518 VanDerWaalsContact O-CG2 3.26Å; M514-T518 WeakPolarHBondContact O-CG2 3.46Å; M514-T518 PolarHBondContact O-N 2.98Å; M514-T518 PolarHBondContact O-OG1 3.29Å
515	I	88.1	Confident	91.1	Very high	61 Å²	61	56.2 Å²	56.2	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-64.1	-41.4	177.2	-70	164	0	0	0	111	P118 T511 S512 T513 T518 A519	P118-I515 HydrophobicContact CB-CD1 3.53Å; P118-I515 HydrophobicContact CG-CD1 3.83Å; T511-I515 HydrophobicContact CG2-CD1 3.79Å; T511-I515 WeakPolarHBondContact O-CB 3.32Å; T511-I515 WeakPolarHBondContact O-CD1 3.44Å; T511-I515 WeakPolarHBondContact O-CG1 3.49Å; T511-I515 PolarHBondContact O-N 2.96Å; S512-I515 PolarHBondContact O-N 3.05Å; T513-I515 VanDerWaalsContact C-N 3.34Å; T513-I515 PolarHBondContact O-N 2.87Å; I515-T518 PolarHBondContact O-N 3.1Å; I515-A519 WeakPolarHBondContact O-CB 3.32Å; I515-A519 PolarHBondContact O-N 3.36Å
516	K	87.2	Confident	91.6	Very high	161 Å²	161	50 Å²	50	70%	0.7	27%	0.271	S	S	*	.	H	α-helix	trans	-61.5	-47.5	175.7	-72	174.2	-180	-175.1	0	111.9	S512 T513 T518	S512-K516 WeakPolarHBondContact O-CG 3.43Å; S512-K516 PolarHBondContact O-N 2.74Å; T513-K516 PolarHBondContact O-N 3.11Å; K516-T518 VanDerWaalsContact C-N 3.34Å; K516-T518 PolarHBondContact O-N 3.33Å
517	A	86.1	Confident	91.9	Very high	22 Å²	22	56.2 Å²	56.2	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-35	-179.3	0	0	0	0	0	113.1	T513 M514 R520	T513-A517 PolarHBondContact O-N 2.89Å; M514-A517 PolarHBondContact O-N 2.95Å; A517-R520 PolarHBondContact O-NH1 2.85Å; A517-R520 PolarHBondContact O-NH2 2.74Å
518	T	87.4	Confident	92.1	Very high	41 Å²	41	55.9 Å²	55.9	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-103	-9.3	-170.1	63.2	0	0	0	0	114.8	V348 F350 A371 M514 I515 K516 R520	V348-T518 HydrophobicContact CG1-CG2 4.01Å; F350-T518 HydrophobicContact CE1-CG2 4.19Å; F350-T518 HydrophobicContact CZ-CG2 4.34Å; A371-T518 HydrophobicContact CB-CG2 3.32Å; M514-T518 HydrophobicContact CG-CG2 4.3Å; M514-T518 WeakPolarHBondContact O-CB 3.5Å; M514-T518 VanDerWaalsContact O-CG2 3.26Å; M514-T518 WeakPolarHBondContact O-CG2 3.46Å; M514-T518 PolarHBondContact O-N 2.98Å; M514-T518 PolarHBondContact O-OG1 3.29Å; I515-T518 PolarHBondContact O-N 3.1Å; K516-T518 VanDerWaalsContact C-N 3.34Å; K516-T518 PolarHBondContact O-N 3.33Å; T518-R520 PolarHBondContact O-N 3.35Å
519	A	87	Confident	92.5	Very high	35 Å²	35	51.5 Å²	51.5	29%	0.289	27%	0.268	S	S	.	.			trans	-69	128	174.5	0	0	0	0	0	110.9	I515	I515-A519 WeakPolarHBondContact O-CB 3.32Å; I515-A519 PolarHBondContact O-N 3.36Å
520	R	91.9	Very high	92.8	Very high	74 Å²	74	46.7 Å²	46.7	28%	0.279	25%	0.245	S	C	.	.			trans	-137.4	142.1	177.7	-65.7	-65.4	-174.5	-85.7	-6.4	109.4	A517 T518 D524 R525 E528 G908 T909	A517-R520 PolarHBondContact O-NH1 2.85Å; A517-R520 PolarHBondContact O-NH2 2.74Å; T518-R520 PolarHBondContact O-N 3.35Å; R520-D524 HydrophobicContact CB-CB 4.15Å; R520-R525 HydrophobicContact CB-CB 3.99Å; R520-R525 HydrophobicContact CB-CG 4.35Å; R520-E528 WeakPolarHBondContact CD-OE1 3.16Å; R520-E528 IonicContact CZ-OE1 3.49Å; R520-E528 IonicContact NE-OE1 3.09Å; R520-E528 PolarHBondContact NE-OE1 3.39Å; R520-E528 IonicContact NH2-OE1 2.98Å; R520-G908 CarbonylContact O-C 3.57Å; R520-G908 WeakPolarHBondContact O-CA 3.43Å; R520-T909 PolarHBondContact O-N 2.86Å
521	S	95.8	Very high	92.8	Very high	24 Å²	24	49.4 Å²	49.4	17%	0.168	26%	0.259	C	S	.	.			trans	-63.4	164.5	172.2	75.3	0	0	0	0	110.3	P523 D524 R525 S877	S521-P523 WeakPolarHBondContact OG-CD 3.46Å; S521-D524 VanDerWaalsContact CB-OD2 3.25Å; S521-D524 WeakPolarHBondContact CB-OD2 3.46Å; S521-D524 PolarHBondContact N-OD2 3.44Å; S521-D524 PolarHBondContact O-N 2.97Å; S521-D524 PolarHBondContact OG-N 2.94Å; S521-D524 VanDerWaalsContact OG-N 3.11Å; S521-D524 PolarHBondContact OG-OD2 3.4Å; S521-R525 VanDerWaalsContact O-CB 3.31Å; S521-R525 WeakPolarHBondContact O-CB 3.48Å; S521-R525 PolarHBondContact O-N 2.87Å; S521-S877 WeakPolarHBondContact CB-O 3.33Å
522	A	97.1	Very high	92.8	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-45.5	174.6	0	0	0	0	0	112.4	R525 E526 F866 S877 T909	A522-R525 PolarHBondContact O-N 3Å; A522-E526 WeakPolarHBondContact O-CB 3.41Å; A522-E526 PolarHBondContact O-N 2.99Å; A522-F866 HydrophobicContact CB-CD1 4.07Å; A522-F866 HydrophobicContact CB-CE1 4.41Å; A522-F866 WeakPolarHBondContact O-CD1 3.4Å; A522-F866 VanDerWaalsContact O-CE1 3.25Å; A522-F866 WeakPolarHBondContact O-CE1 3.38Å; A522-S877 PolarHBondContact N-O 2.93Å; A522-T909 HydrophobicContact CB-CG2 4.02Å
523	P	97.3	Very high	92.9	Very high	40 Å²	40	47.9 Å²	47.9	26%	0.26	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-41	172.2	-26.9	36.2	0	0	0	114.7	S521 E526 K527	S521-P523 WeakPolarHBondContact OG-CD 3.46Å; P523-E526 PolarHBondContact O-N 2.99Å; P523-K527 WeakPolarHBondContact O-CB 3.38Å; P523-K527 PolarHBondContact O-N 3.33Å
524	D	96.1	Very high	92.9	Very high	81 Å²	81	52.2 Å²	52.2	43%	0.433	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-44.7	177.8	-61.6	-44.6	0	0	0	110.8	R520 S521 K527 E528	R520-D524 HydrophobicContact CB-CB 4.15Å; S521-D524 VanDerWaalsContact CB-OD2 3.25Å; S521-D524 WeakPolarHBondContact CB-OD2 3.46Å; S521-D524 PolarHBondContact N-OD2 3.44Å; S521-D524 PolarHBondContact O-N 2.97Å; S521-D524 PolarHBondContact OG-N 2.94Å; S521-D524 VanDerWaalsContact OG-N 3.11Å; S521-D524 PolarHBondContact OG-OD2 3.4Å; D524-K527 WeakPolarHBondContact O-CB 3.42Å; D524-K527 PolarHBondContact O-N 2.91Å; D524-K527 VanDerWaalsContact O-N 3.16Å; D524-E528 WeakPolarHBondContact O-CG 3.19Å; D524-E528 PolarHBondContact O-N 2.72Å
525	R	95.9	Very high	92.7	Very high	28 Å²	28	61.2 Å²	61.2	11%	0.106	29%	0.293	C	S	.	.	H	α-helix	trans	-72.4	-31.2	-176.9	-154.5	163.9	177.9	-86.7	-3.6	112	D368 V369 R520 S521 A522 I529 T909	D368-R525 IonicContact OD1-CZ 2.67Å; D368-R525 IonicContact OD1-NH1 3.08Å; D368-R525 PolarHBondContact OD1-NH1 3.11Å; D368-R525 IonicContact OD1-NH2 3.57Å; D368-R525 PolarHBondContact OD1-NH2 3.11Å; D368-R525 IonicContact OD2-CZ 3.76Å; D368-R525 IonicContact OD2-NH1 2.72Å; D368-R525 IonicContact OD2-NH2 3.95Å; D368-R525 PolarHBondContact OD2-NH2 3.35Å; V369-R525 HydrophobicContact CG2-CG 3.5Å; V369-R525 VanDerWaalsContact CG2-CG 3.5Å; V369-R525 PolarHBondContact O-NH2 2.82Å; R520-R525 HydrophobicContact CB-CB 3.99Å; R520-R525 HydrophobicContact CB-CG 4.35Å; S521-R525 VanDerWaalsContact O-CB 3.31Å; S521-R525 WeakPolarHBondContact O-CB 3.48Å; S521-R525 PolarHBondContact O-N 2.87Å; A522-R525 PolarHBondContact O-N 3Å; R525-I529 WeakPolarHBondContact O-CD1 3.42Å; R525-I529 VanDerWaalsContact O-CG1 3.24Å; R525-I529 WeakPolarHBondContact O-CG1 3.4Å; R525-I529 PolarHBondContact O-N 3.05Å; R525-T909 WeakPolarHBondContact CB-OG1 3.48Å; R525-T909 VanDerWaalsContact CD-OG1 3.24Å; R525-T909 WeakPolarHBondContact CD-OG1 3.44Å
526	E	97.2	Very high	92.7	Very high	18 Å²	18	60 Å²	60	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-47.5	166.1	178	174.7	-109.4	0	0	111.3	R190 A522 P523 I529 N530 M555 F866	R190-E526 IonicContact CZ-OE1 2.74Å; R190-E526 IonicContact CZ-OE2 2.72Å; R190-E526 IonicContact NE-OE1 3.33Å; R190-E526 PolarHBondContact NE-OE1 2.89Å; R190-E526 IonicContact NH1-OE1 3.1Å; R190-E526 PolarHBondContact NH1-OE1 3.42Å; R190-E526 IonicContact NH1-OE2 3.6Å; R190-E526 PolarHBondContact NH1-OE2 3.03Å; R190-E526 VanDerWaalsContact NH2-CD 3.26Å; R190-E526 IonicContact NH2-OE1 3.63Å; R190-E526 PolarHBondContact NH2-OE1 3.04Å; R190-E526 IonicContact NH2-OE2 3.32Å; R190-E526 PolarHBondContact NH2-OE2 3.45Å; A522-E526 WeakPolarHBondContact O-CB 3.41Å; A522-E526 PolarHBondContact O-N 2.99Å; P523-E526 PolarHBondContact O-N 2.99Å; E526-I529 PolarHBondContact O-N 3.41Å; E526-N530 VanDerWaalsContact CG-ND2 3.35Å; E526-N530 WeakPolarHBondContact CG-ND2 3.24Å; E526-N530 WeakPolarHBondContact O-CB 3.43Å; E526-N530 PolarHBondContact O-N 3.08Å; E526-N530 PolarHBondContact O-ND2 2.79Å; E526-M555 HydrophobicContact CG-CE 4.17Å; E526-M555 HydrophobicContact CG-SD 4Å; E526-F866 HydrophobicContact CB-CD1 3.81Å; E526-F866 HydrophobicContact CB-CD2 4.07Å; E526-F866 HydrophobicContact CB-CE1 3.86Å; E526-F866 HydrophobicContact CB-CE2 4.13Å; E526-F866 HydrophobicContact CB-CG 3.91Å; E526-F866 HydrophobicContact CB-CZ 4.03Å; E526-F866 HydrophobicContact CG-CD2 4.1Å; E526-F866 HydrophobicContact CG-CE2 4.41Å; E526-F866 HydrophobicContact CG-CG 4.2Å; E526-F866 WeakPolarHBondContact OE1-CB 3.37Å
527	K	96.4	Very high	92.8	Very high	139 Å²	139	56.5 Å²	56.5	60%	0.604	28%	0.281	S	S	*	.	H	α-helix	trans	-62.4	-42.2	177.8	-176.3	179.9	177.5	-177.1	0	111.7	P523 D524 N531	P523-K527 WeakPolarHBondContact O-CB 3.38Å; P523-K527 PolarHBondContact O-N 3.33Å; D524-K527 WeakPolarHBondContact O-CB 3.42Å; D524-K527 PolarHBondContact O-N 2.91Å; D524-K527 VanDerWaalsContact O-N 3.16Å; K527-N531 VanDerWaalsContact O-CB 3.28Å; K527-N531 WeakPolarHBondContact O-CB 3.31Å; K527-N531 PolarHBondContact O-N 2.87Å; K527-N531 PolarHBondContact O-ND2 3.08Å
528	E	94.4	Very high	92.9	Very high	61 Å²	61	55.9 Å²	55.9	29%	0.285	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-46.9	174.8	-73.3	178.8	162.4	0	0	112.1	V369 R520 D524 N531 L532	V369-E528 HydrophobicContact CG1-CB 4.1Å; R520-E528 WeakPolarHBondContact CD-OE1 3.16Å; R520-E528 IonicContact CZ-OE1 3.49Å; R520-E528 IonicContact NE-OE1 3.09Å; R520-E528 PolarHBondContact NE-OE1 3.39Å; R520-E528 IonicContact NH2-OE1 2.98Å; D524-E528 WeakPolarHBondContact O-CG 3.19Å; D524-E528 PolarHBondContact O-N 2.72Å; E528-N531 PolarHBondContact O-N 3.29Å; E528-L532 WeakPolarHBondContact O-CB 3.36Å; E528-L532 PolarHBondContact O-N 3.12Å
529	I	96	Very high	93.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-45.6	178	-66.3	163.8	0	0	0	111.1	N192 F194 I367 V369 R525 E526 N531 L532 V533 M555 F866	N192-I529 HydrophobicContact CB-CD1 4.08Å; N192-I529 HydrophobicContact CB-CG2 4.37Å; F194-I529 HydrophobicContact CE2-CG2 4.04Å; F194-I529 HydrophobicContact CZ-CG2 4.01Å; I367-I529 HydrophobicContact CG2-CG2 4.26Å; V369-I529 HydrophobicContact CB-CG1 4.45Å; V369-I529 HydrophobicContact CG1-CG1 3.87Å; V369-I529 HydrophobicContact CG2-CG1 4.17Å; R525-I529 WeakPolarHBondContact O-CD1 3.42Å; R525-I529 VanDerWaalsContact O-CG1 3.24Å; R525-I529 WeakPolarHBondContact O-CG1 3.4Å; R525-I529 PolarHBondContact O-N 3.05Å; E526-I529 PolarHBondContact O-N 3.41Å; I529-N531 VanDerWaalsContact C-N 3.33Å; I529-N531 PolarHBondContact O-N 2.91Å; I529-L532 PolarHBondContact O-N 2.97Å; I529-L532 VanDerWaalsContact O-N 3.17Å; I529-V533 PolarHBondContact O-N 2.93Å; I529-M555 HydrophobicContact CB-CE 3.7Å; I529-M555 HydrophobicContact CD1-CE 4.42Å; I529-M555 HydrophobicContact CG2-CE 3.46Å; I529-M555 VanDerWaalsContact CG2-CE 3.46Å; I529-F866 HydrophobicContact CD1-CE2 4.46Å; I529-F866 HydrophobicContact CD1-CZ 4.09Å
530	N	95.8	Very high	93.5	Very high	35 Å²	35	57.2 Å²	57.2	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-38.1	178	-78.1	-69	0	0	0	112.1	E526 K534 M555	E526-N530 VanDerWaalsContact CG-ND2 3.35Å; E526-N530 WeakPolarHBondContact CG-ND2 3.24Å; E526-N530 WeakPolarHBondContact O-CB 3.43Å; E526-N530 PolarHBondContact O-N 3.08Å; E526-N530 PolarHBondContact O-ND2 2.79Å; N530-K534 WeakPolarHBondContact O-CB 3.36Å; N530-K534 VanDerWaalsContact O-CG 3.28Å; N530-K534 WeakPolarHBondContact O-CG 3.45Å; N530-K534 PolarHBondContact O-N 3.3Å; N530-K534 VanDerWaalsContact O-N 3.12Å; N530-M555 WeakPolarHBondContact ND2-CE 3.46Å
531	N	93.9	Very high	93.6	Very high	68 Å²	68	54.2 Å²	54.2	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-66.4	-37.8	173.3	-74.4	-11.1	0	0	0	111.9	K527 E528 I529 R535	K527-N531 VanDerWaalsContact O-CB 3.28Å; K527-N531 WeakPolarHBondContact O-CB 3.31Å; K527-N531 PolarHBondContact O-N 2.87Å; K527-N531 PolarHBondContact O-ND2 3.08Å; E528-N531 PolarHBondContact O-N 3.29Å; I529-N531 VanDerWaalsContact C-N 3.33Å; I529-N531 PolarHBondContact O-N 2.91Å; N531-R535 WeakPolarHBondContact O-CB 3.36Å; N531-R535 VanDerWaalsContact O-CG 3.3Å; N531-R535 WeakPolarHBondContact O-CG 3.41Å; N531-R535 PolarHBondContact O-N 2.87Å
532	L	91.4	Very high	93.4	Very high	36 Å²	36	55.3 Å²	55.3	19%	0.188	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-45.5	177.8	-172.4	143.4	0	0	0	111.7	F352 I367 V369 E528 I529 K534 R535 A536	F352-L532 HydrophobicContact CB-CD1 3.79Å; F352-L532 HydrophobicContact CB-CD2 3.94Å; F352-L532 HydrophobicContact CD1-CD1 3.97Å; F352-L532 HydrophobicContact CD1-CD2 4.15Å; F352-L532 HydrophobicContact CD2-CD2 4.28Å; F352-L532 HydrophobicContact CG-CD1 4.14Å; F352-L532 HydrophobicContact CG-CD2 3.89Å; I367-L532 HydrophobicContact CG2-CD2 3.84Å; V369-L532 HydrophobicContact CG1-CD1 4.25Å; E528-L532 WeakPolarHBondContact O-CB 3.36Å; E528-L532 PolarHBondContact O-N 3.12Å; I529-L532 PolarHBondContact O-N 2.97Å; I529-L532 VanDerWaalsContact O-N 3.17Å; L532-K534 VanDerWaalsContact C-N 3.33Å; L532-K534 PolarHBondContact O-N 2.85Å; L532-R535 PolarHBondContact O-N 2.84Å; L532-A536 VanDerWaalsContact O-CB 3.31Å; L532-A536 WeakPolarHBondContact O-CB 3.34Å; L532-A536 PolarHBondContact O-N 3.04Å
533	V	92.2	Very high	93.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-39.3	176.8	171.4	0	0	0	0	111.6	F194 I367 I529 N537 F538	F194-V533 HydrophobicContact CD1-CG1 4.14Å; F194-V533 HydrophobicContact CD1-CG2 4.47Å; F194-V533 HydrophobicContact CD2-CG2 4.29Å; F194-V533 HydrophobicContact CE1-CB 4.29Å; F194-V533 HydrophobicContact CE1-CG1 4.04Å; F194-V533 HydrophobicContact CE1-CG2 4.01Å; F194-V533 HydrophobicContact CE2-CG2 3.82Å; F194-V533 HydrophobicContact CZ-CB 4.36Å; F194-V533 HydrophobicContact CZ-CG2 3.67Å; I367-V533 HydrophobicContact CB-CG2 4.3Å; I367-V533 HydrophobicContact CG1-CG2 4.24Å; I367-V533 HydrophobicContact CG2-CG2 4.11Å; I529-V533 PolarHBondContact O-N 2.93Å; V533-N537 PolarHBondContact O-N 3.48Å; V533-F538 HydrophobicContact CG1-CD2 4.38Å; V533-F538 HydrophobicContact CG1-CE2 4.18Å; V533-F538 HydrophobicContact CG2-CE2 4.32Å
534	K	91.9	Very high	93.1	Very high	144 Å²	144	54.6 Å²	54.6	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-63.1	-41.1	173.2	-74.1	175.8	-179.9	-173.2	0	113	N530 L532	N530-K534 WeakPolarHBondContact O-CB 3.36Å; N530-K534 VanDerWaalsContact O-CG 3.28Å; N530-K534 WeakPolarHBondContact O-CG 3.45Å; N530-K534 PolarHBondContact O-N 3.3Å; N530-K534 VanDerWaalsContact O-N 3.12Å; L532-K534 VanDerWaalsContact C-N 3.33Å; L532-K534 PolarHBondContact O-N 2.85Å
535	R	88.4	Confident	93.1	Very high	216 Å²	216	56.4 Å²	56.4	82%	0.815	28%	0.277	S	S	*	.	H	α-helix	trans	-72.6	-36.7	177.9	-74.4	174	179.7	-174.8	-1.7	113.2	N531 L532 N537	N531-R535 WeakPolarHBondContact O-CB 3.36Å; N531-R535 VanDerWaalsContact O-CG 3.3Å; N531-R535 WeakPolarHBondContact O-CG 3.41Å; N531-R535 PolarHBondContact O-N 2.87Å; L532-R535 PolarHBondContact O-N 2.84Å; R535-N537 PolarHBondContact O-N 3.09Å
536	A	87.6	Confident	92.9	Very high	36 Å²	36	58.3 Å²	58.3	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-66.8	-27.2	177.8	0	0	0	0	0	112.3	L532 F538	L532-A536 VanDerWaalsContact O-CB 3.31Å; L532-A536 WeakPolarHBondContact O-CB 3.34Å; L532-A536 PolarHBondContact O-N 3.04Å; A536-F538 VanDerWaalsContact C-N 3.3Å; A536-F538 HydrophobicContact CB-CD2 4.3Å; A536-F538 HydrophobicContact CB-CE1 4.23Å; A536-F538 HydrophobicContact CB-CE2 3.88Å; A536-F538 HydrophobicContact CB-CZ 3.84Å; A536-F538 PolarHBondContact O-N 3.05Å; A536-F538 VanDerWaalsContact O-N 3.15Å
537	N	88.5	Confident	92.8	Very high	86 Å²	86	57.5 Å²	57.5	46%	0.46	28%	0.284	S	S	.	.			trans	43.5	51.5	172.5	-166.2	21.2	0	0	0	113.5	V533 R535 N539 A540	V533-N537 PolarHBondContact O-N 3.48Å; R535-N537 PolarHBondContact O-N 3.09Å; N537-N539 PolarHBondContact O-N 2.72Å; N537-A540 WeakPolarHBondContact ND2-CB 3.42Å; N537-A540 WeakPolarHBondContact O-CB 3.26Å; N537-A540 PolarHBondContact O-N 2.99Å
538	F	89.8	Confident	92.7	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.044	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-48.4	-34.7	-170.4	-64.6	-76.5	0	0	0	114.1	M316 L365 I367 V533 A536 A540 D541 L544 V551	M316-F538 HydrophobicContact CE-CD1 4Å; M316-F538 HydrophobicContact CE-CE1 4.45Å; L365-F538 HydrophobicContact CD2-CD2 4.3Å; L365-F538 HydrophobicContact CD2-CE1 4.2Å; L365-F538 HydrophobicContact CD2-CE2 3.95Å; L365-F538 HydrophobicContact CD2-CZ 3.9Å; I367-F538 HydrophobicContact CD1-CZ 4.07Å; V533-F538 HydrophobicContact CG1-CD2 4.38Å; V533-F538 HydrophobicContact CG1-CE2 4.18Å; V533-F538 HydrophobicContact CG2-CE2 4.32Å; A536-F538 VanDerWaalsContact C-N 3.3Å; A536-F538 HydrophobicContact CB-CD2 4.3Å; A536-F538 HydrophobicContact CB-CE1 4.23Å; A536-F538 HydrophobicContact CB-CE2 3.88Å; A536-F538 HydrophobicContact CB-CZ 3.84Å; A536-F538 PolarHBondContact O-N 3.05Å; A536-F538 VanDerWaalsContact O-N 3.15Å; F538-A540 PolarHBondContact O-N 2.89Å; F538-A540 VanDerWaalsContact O-N 3.16Å; F538-D541 WeakPolarHBondContact O-CB 3.46Å; F538-D541 PolarHBondContact O-N 2.72Å; F538-L544 HydrophobicContact CB-CD1 4.01Å; F538-L544 HydrophobicContact CD1-CD1 4.49Å; F538-L544 WeakPolarHBondContact O-CD1 3.47Å; F538-V551 HydrophobicContact CB-CB 4.12Å; F538-V551 HydrophobicContact CB-CG2 3.94Å; F538-V551 HydrophobicContact CD2-CG1 4.36Å; F538-V551 HydrophobicContact CG-CG2 4.37Å
539	N	92.4	Very high	92.7	Very high	50 Å²	50	49.8 Å²	49.8	27%	0.267	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-73.8	-4.9	-178	-54	-18.7	0	0	0	113.6	N537 Q545 V551	N537-N539 PolarHBondContact O-N 2.72Å; N539-Q545 PolarHBondContact O-NE2 2.88Å; N539-V551 PolarHBondContact ND2-O 3.15Å; N539-V551 PolarHBondContact OD1-N 3.22Å; N539-V551 PolarHBondContact OD1-O 2.62Å
540	A	93.4	Very high	92.6	Very high	53 Å²	53	53.7 Å²	53.7	44%	0.438	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-100.3	0	168.4	0	0	0	0	0	113.3	N537 F538 P542	N537-A540 WeakPolarHBondContact ND2-CB 3.42Å; N537-A540 WeakPolarHBondContact O-CB 3.26Å; N537-A540 PolarHBondContact O-N 2.99Å; F538-A540 PolarHBondContact O-N 2.89Å; F538-A540 VanDerWaalsContact O-N 3.16Å; A540-P542 WeakPolarHBondContact O-CD 3.39Å
541	D	93.2	Very high	92.6	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.064	27%	0.273	C	S	.	.			trans	-67.9	118.6	170.7	-177.7	-29.4	0	0	0	108.9	L319 F538 H543 L544 Q545	L319-D541 WeakPolarHBondContact CB-OD2 3.45Å; L319-D541 HydrophobicContact CD2-CB 4.24Å; F538-D541 WeakPolarHBondContact O-CB 3.46Å; F538-D541 PolarHBondContact O-N 2.72Å; D541-H543 PolarHBondContact O-N 2.83Å; D541-H543 WeakPolarHBondContact OD1-CB 3.43Å; D541-H543 IonicContact OD1-CD2 2.86Å; D541-H543 PolarHBondContact OD1-CD2 2.6Å; D541-H543 IonicContact OD1-CG 3.49Å; D541-H543 PolarHBondContact OD1-N 3.08Å; D541-L544 HydrophobicContact CB-CB 4.11Å; D541-L544 HydrophobicContact CB-CD1 4.1Å; D541-L544 HydrophobicContact CB-CG 3.8Å; D541-L544 PolarHBondContact O-N 3.46Å; D541-L544 VanDerWaalsContact O-N 3.07Å; D541-Q545 WeakPolarHBondContact O-CG 3.47Å; D541-Q545 PolarHBondContact O-N 2.83Å
542	P	93	Very high	92.6	Very high	47 Å²	47	51.7 Å²	51.7	31%	0.305	27%	0.27	S	S	.	.	H	α-helix	trans	-66.7	-18.5	-175.6	28.1	-35.8	0	0	0	113.3	K241 A540 M546	K241-P542 HydrophobicContact CD-CB 4.1Å; A540-P542 WeakPolarHBondContact O-CD 3.39Å; P542-M546 WeakPolarHBondContact O-CB 3.41Å; P542-M546 PolarHBondContact O-N 3.43Å
543	H	94	Very high	92.7	Very high	26 Å²	26	53.1 Å²	53.1	12%	0.12	28%	0.28	C	S	.	.	H	α-helix	trans	-77.9	-41.6	171.7	-59.2	-92.8	0	0	0	110.6	K241 V243 H318 D541 Q545 M546 F547	K241-H543 PolarHBondContact O-ND1 3.35Å; V243-H543 HydrophobicContact CG1-CB 3.96Å; H318-H543 AromaticContact CD2-CD2 3.91Å; H318-H543 AromaticContact CD2-CE1 3.33Å; H318-H543 PolarHBondContact CD2-CE1 3.03Å; H318-H543 AromaticContact CD2-CG 3.85Å; H318-H543 AromaticContact CD2-ND1 3.49Å; H318-H543 PolarHBondContact CD2-ND1 3.1Å; H318-H543 AromaticContact CD2-NE2 3.61Å; H318-H543 AromaticContact NE2-CE1 3.57Å; D541-H543 PolarHBondContact O-N 2.83Å; D541-H543 WeakPolarHBondContact OD1-CB 3.43Å; D541-H543 IonicContact OD1-CD2 2.86Å; D541-H543 PolarHBondContact OD1-CD2 2.6Å; D541-H543 IonicContact OD1-CG 3.49Å; D541-H543 PolarHBondContact OD1-N 3.08Å; H543-Q545 VanDerWaalsContact C-N 3.33Å; H543-Q545 PolarHBondContact O-N 3.17Å; H543-M546 PolarHBondContact O-N 3.21Å; H543-F547 VanDerWaalsContact O-CD2 3.28Å; H543-F547 WeakPolarHBondContact O-CD2 3.42Å; H543-F547 PolarHBondContact O-N 3.05Å
544	L	94.4	Very high	92.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-39	177.2	-58.4	-168.6	0	0	0	111.6	I315 M316 F538 D541 F547 G548 I549	I315-L544 HydrophobicContact CG2-CD2 3.45Å; I315-L544 VanDerWaalsContact CG2-CD2 3.45Å; M316-L544 HydrophobicContact CE-CD1 3.53Å; M316-L544 HydrophobicContact CE-CD2 4.4Å; M316-L544 HydrophobicContact SD-CD1 3.63Å; M316-L544 HydrophobicContact SD-CD2 3.57Å; M316-L544 VanDerWaalsContact SD-CD2 3.57Å; M316-L544 HydrophobicContact SD-CG 4.28Å; F538-L544 HydrophobicContact CB-CD1 4.01Å; F538-L544 HydrophobicContact CD1-CD1 4.49Å; F538-L544 WeakPolarHBondContact O-CD1 3.47Å; D541-L544 HydrophobicContact CB-CB 4.11Å; D541-L544 HydrophobicContact CB-CD1 4.1Å; D541-L544 HydrophobicContact CB-CG 3.8Å; D541-L544 PolarHBondContact O-N 3.46Å; D541-L544 VanDerWaalsContact O-N 3.07Å; L544-F547 CarbonylContact O-C 3.58Å; L544-F547 PolarHBondContact O-N 3.07Å; L544-G548 PolarHBondContact O-N 2.8Å; L544-I549 HydrophobicContact CB-CB 4.49Å; L544-I549 PolarHBondContact O-N 3.15Å
545	Q	94.2	Very high	93.1	Very high	119 Å²	119	55.2 Å²	55.2	56%	0.556	29%	0.285	S	S	*	.	H	α-helix	trans	-60.3	-48.2	172	-68.6	179.7	-9.1	0	0	112.3	N539 D541 H543 F547 G548	N539-Q545 PolarHBondContact O-NE2 2.88Å; D541-Q545 WeakPolarHBondContact O-CG 3.47Å; D541-Q545 PolarHBondContact O-N 2.83Å; H543-Q545 VanDerWaalsContact C-N 3.33Å; H543-Q545 PolarHBondContact O-N 3.17Å; Q545-F547 PolarHBondContact O-N 2.73Å; Q545-G548 PolarHBondContact O-N 3.34Å
546	M	93.4	Very high	93.5	Very high	68 Å²	68	45.7 Å²	45.7	34%	0.335	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-33	176.5	179.1	60.7	63.3	0	0	112.7	N239 K241 P542 H543	N239-M546 WeakPolarHBondContact O-CE 3.13Å; K241-M546 HydrophobicContact CB-CB 4.3Å; K241-M546 HydrophobicContact CB-CG 4.12Å; K241-M546 HydrophobicContact CG-CE 4.28Å; P542-M546 WeakPolarHBondContact O-CB 3.41Å; P542-M546 PolarHBondContact O-N 3.43Å; H543-M546 PolarHBondContact O-N 3.21Å
547	F	94.7	Very high	93.9	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.9	175.8	-80.7	-104.8	0	0	0	113.7	P199 L203 V243 R253 I315 H543 L544 Q545 I549	P199-F547 VanDerWaalsContact CG-O 3.29Å; P199-F547 WeakPolarHBondContact CG-O 3.48Å; L203-F547 HydrophobicContact CD2-CD1 3.63Å; L203-F547 HydrophobicContact CD2-CE1 3.85Å; V243-F547 HydrophobicContact CG1-CD2 4.5Å; V243-F547 HydrophobicContact CG1-CE2 3.9Å; V243-F547 HydrophobicContact CG1-CZ 4.35Å; V243-F547 HydrophobicContact CG2-CE1 4.41Å; V243-F547 HydrophobicContact CG2-CE2 4.21Å; V243-F547 HydrophobicContact CG2-CZ 3.79Å; R253-F547 HydrophobicContact CB-CD1 4.26Å; R253-F547 HydrophobicContact CB-CE1 4.43Å; R253-F547 HydrophobicContact CB-CG 4.35Å; I315-F547 HydrophobicContact CD1-CD1 3.35Å; I315-F547 HydrophobicContact CD1-CE1 3.62Å; I315-F547 HydrophobicContact CD1-CG 4.11Å; I315-F547 HydrophobicContact CG1-CD1 3.78Å; I315-F547 HydrophobicContact CG1-CE1 3.78Å; I315-F547 HydrophobicContact CG1-CG 4.25Å; I315-F547 HydrophobicContact CG1-CZ 4.26Å; I315-F547 HydrophobicContact CG2-CB 4.23Å; I315-F547 HydrophobicContact CG2-CD1 4.45Å; I315-F547 HydrophobicContact CG2-CD2 4.48Å; I315-F547 HydrophobicContact CG2-CG 4.14Å; H543-F547 VanDerWaalsContact O-CD2 3.28Å; H543-F547 WeakPolarHBondContact O-CD2 3.42Å; H543-F547 PolarHBondContact O-N 3.05Å; L544-F547 CarbonylContact O-C 3.58Å; L544-F547 PolarHBondContact O-N 3.07Å; Q545-F547 PolarHBondContact O-N 2.73Å; F547-I549 HydrophobicContact CB-CD1 4.14Å; F547-I549 HydrophobicContact CB-CG1 4.19Å; F547-I549 PolarHBondContact O-N 3.17Å
548	G	94	Very high	94.3	Very high	35 Å²	35	46.9 Å²	46.9	36%	0.361	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	16.8	-179.1	0	0	0	0	0	114.9	L544 Q545	L544-G548 PolarHBondContact O-N 2.8Å; Q545-G548 PolarHBondContact O-N 3.34Å
549	I	94.6	Very high	94.6	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	27%	0.266	C	S	.	.			trans	-89.1	132.2	-175.9	-65.7	176.8	0	0	0	110.1	I196 R197 L312 I315 M316 L544 F547	I196-I549 HydrophobicContact CG2-CG2 3.72Å; R197-I549 WeakPolarHBondContact O-CA 3.49Å; L312-I549 HydrophobicContact CD2-CD1 3.59Å; I315-I549 HydrophobicContact CB-CD1 4.45Å; I315-I549 HydrophobicContact CD1-CD1 4.05Å; I315-I549 HydrophobicContact CG2-CD1 3.82Å; M316-I549 HydrophobicContact SD-CG2 3.99Å; L544-I549 HydrophobicContact CB-CB 4.49Å; L544-I549 PolarHBondContact O-N 3.15Å; F547-I549 HydrophobicContact CB-CD1 4.14Å; F547-I549 HydrophobicContact CB-CG1 4.19Å; F547-I549 PolarHBondContact O-N 3.17Å
550	N	94.3	Very high	94.9	Very high	83 Å²	83	48.2 Å²	48.2	44%	0.444	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.1	175.4	-78.2	-90.4	0	0	0	110.9	R197	R197-N550 HydrophobicContact CB-CB 4.41Å; R197-N550 PolarHBondContact N-O 2.84Å; R197-N550 PolarHBondContact O-N 3.43Å
551	V	95	Very high	95.1	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.9	176.8	-174.8	0	0	0	0	109.8	F194 E195 M316 L365 F538 N539 T553	F194-V551 HydrophobicContact CB-CG1 4.01Å; E195-V551 WeakPolarHBondContact O-CA 3.48Å; M316-V551 HydrophobicContact CE-CG2 3.76Å; M316-V551 HydrophobicContact SD-CG2 4.29Å; L365-V551 HydrophobicContact CD2-CG1 3.96Å; L365-V551 HydrophobicContact CD2-CG2 4.32Å; F538-V551 HydrophobicContact CB-CB 4.12Å; F538-V551 HydrophobicContact CB-CG2 3.94Å; F538-V551 HydrophobicContact CD2-CG1 4.36Å; F538-V551 HydrophobicContact CG-CG2 4.37Å; N539-V551 PolarHBondContact ND2-O 3.15Å; N539-V551 PolarHBondContact OD1-N 3.22Å; N539-V551 PolarHBondContact OD1-O 2.62Å; V551-T553 PolarHBondContact O-N 3.01Å
552	N	94.8	Very high	95.3	Very high	57 Å²	57	46.9 Å²	46.9	31%	0.305	24%	0.238	S	C	.	.			trans	-70.2	125.5	171	-172.3	-21.4	0	0	0	109.6	F194 E195 R554	F194-N552 WeakPolarHBondContact CB-O 3.34Å; F194-N552 WeakPolarHBondContact CD1-O 3.4Å; E195-N552 HydrophobicContact CB-CB 3.73Å; E195-N552 PolarHBondContact O-N 3.07Å; E195-N552 PolarHBondContact OE2-ND2 2.79Å; N552-R554 VanDerWaalsContact C-N 3.26Å; N552-R554 PolarHBondContact O-N 3Å; N552-R554 PolarHBondContact OD1-N 3.41Å; N552-R554 VanDerWaalsContact OD1-N 3.11Å
553	T	93.6	Very high	95.4	Very high	66 Å²	66	44.8 Å²	44.8	41%	0.405	23%	0.225	S	C	.	.	S	Bend	trans	-81	-2	-175.7	52.9	0	0	0	0	113.9	V551	V551-T553 PolarHBondContact O-N 3.01Å
554	R	95.8	Very high	95.5	Very high	179 Å²	179	47.2 Å²	47.2	68%	0.675	24%	0.243	S	C	*	.	S	Bend	trans	-95.6	141.9	174	-60.4	-172.4	-177.4	-162.9	3.1	111.2	F194 N552	F194-R554 VanDerWaalsContact CD1-O 3.25Å; F194-R554 WeakPolarHBondContact CD1-O 3.5Å; N552-R554 VanDerWaalsContact C-N 3.26Å; N552-R554 PolarHBondContact O-N 3Å; N552-R554 PolarHBondContact OD1-N 3.41Å; N552-R554 VanDerWaalsContact OD1-N 3.11Å
555	M	97	Very high	95.5	Very high	9 Å²	9	48.9 Å²	48.9	4%	0.044	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-59.7	139.5	168	-79.6	-173.2	177.7	0	0	110.9	R190 A191 N192 F194 E526 I529 N530 E557 F866	R190-M555 HydrophobicContact CB-CB 4.2Å; R190-M555 HydrophobicContact CB-SD 4.46Å; A191-M555 WeakPolarHBondContact O-CB 3.38Å; A191-M555 VanDerWaalsContact O-CG 3.31Å; A191-M555 WeakPolarHBondContact O-CG 3.42Å; N192-M555 HydrophobicContact CB-CE 4.15Å; F194-M555 HydrophobicContact CE1-CB 4.4Å; F194-M555 HydrophobicContact CE1-CG 3.74Å; F194-M555 HydrophobicContact CE2-CG 4.28Å; F194-M555 HydrophobicContact CZ-CB 4.5Å; F194-M555 HydrophobicContact CZ-CE 4.09Å; F194-M555 HydrophobicContact CZ-CG 3.46Å; F194-M555 VanDerWaalsContact CZ-CG 3.46Å; E526-M555 HydrophobicContact CG-CE 4.17Å; E526-M555 HydrophobicContact CG-SD 4Å; I529-M555 HydrophobicContact CB-CE 3.7Å; I529-M555 HydrophobicContact CD1-CE 4.42Å; I529-M555 HydrophobicContact CG2-CE 3.46Å; I529-M555 VanDerWaalsContact CG2-CE 3.46Å; N530-M555 WeakPolarHBondContact ND2-CE 3.46Å; M555-E557 PolarHBondContact O-N 3.08Å; M555-F866 HydrophobicContact CE-CD2 4.39Å; M555-F866 HydrophobicContact CE-CE2 3.87Å; M555-F866 HydrophobicContact SD-CD2 3.93Å; M555-F866 HydrophobicContact SD-CE2 4Å
556	A	96.1	Very high	95.6	Very high	15 Å²	15	43.4 Å²	43.4	12%	0.124	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	123.7	175.5	0	0	0	0	0	111	R190 A191 H193 M364 I890	R190-A556 CarbonylContact C-O 3.59Å; R190-A556 WeakPolarHBondContact CA-O 3.49Å; A191-A556 PolarHBondContact N-O 2.88Å; A191-A556 PolarHBondContact O-N 3.35Å; H193-A556 HydrophobicContact CB-CB 4.32Å; H193-A556 WeakPolarHBondContact O-CB 3.46Å; H193-A556 PolarHBondContact O-N 2.92Å; M364-A556 HydrophobicContact CE-CB 3.85Å; A556-I890 HydrophobicContact CB-CG2 4.46Å
557	E	96.5	Very high	95.7	Very high	141 Å²	141	45 Å²	45	66%	0.659	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.2	174.5	-69.4	174.8	-166.1	0	0	109.9	L189 R190 M555	L189-E557 WeakPolarHBondContact O-CA 3.29Å; R190-E557 HydrophobicContact CG-CG 4.06Å; M555-E557 PolarHBondContact O-N 3.08Å
558	I	95.7	Very high	95.7	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	130.7	-169.8	-49.9	-179.9	0	0	0	109.9	L189 A191 G560 L865 V886 V889 I890	L189-I558 HydrophobicContact CB-CB 4.42Å; L189-I558 WeakPolarHBondContact CB-O 3.4Å; L189-I558 PolarHBondContact N-O 3.46Å; L189-I558 PolarHBondContact O-N 2.91Å; A191-I558 HydrophobicContact CB-CD1 3.6Å; I558-G560 PolarHBondContact O-N 2.81Å; I558-L865 HydrophobicContact CD1-CD2 4.36Å; I558-V886 HydrophobicContact CD1-CG1 4.32Å; I558-V886 HydrophobicContact CG2-CG1 3.82Å; I558-V886 HydrophobicContact CG2-CG2 4.26Å; I558-V889 HydrophobicContact CD1-CB 4.5Å; I558-V889 HydrophobicContact CG1-CB 4.23Å; I558-V889 HydrophobicContact CG1-CG1 4.31Å; I558-V889 HydrophobicContact CG2-CG2 4.44Å; I558-I890 HydrophobicContact CD1-CB 4.27Å; I558-I890 HydrophobicContact CD1-CD1 3.68Å; I558-I890 HydrophobicContact CD1-CG1 3.77Å; I558-I890 HydrophobicContact CD1-CG2 3.6Å
559	Q	96.6	Very high	95.8	Very high	86 Å²	86	45.2 Å²	45.2	40%	0.402	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	103.8	163.7	-159.3	71.4	79.9	0	0	109.1	C186 I187 S188 Q888	C186-Q559 HydrophobicContact CB-CG 4.36Å; I187-Q559 PolarHBondContact O-NE2 3.27Å; S188-Q559 PolarHBondContact OG-NE2 2.96Å; Q559-Q888 PolarHBondContact O-NE2 3.09Å
560	G	97.5	Very high	95.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	173.5	168.8	0	0	0	0	0	111.9	C186 I187 I558 T885	C186-G560 WeakPolarHBondContact CA-O 3.35Å; I187-G560 PolarHBondContact N-O 3.38Å; I187-G560 PolarHBondContact O-N 2.84Å; I558-G560 PolarHBondContact O-N 2.81Å; G560-T885 WeakPolarHBondContact CA-O 3.39Å
561	R	98.2	Very high	95.9	Very high	19 Å²	19	41.4 Å²	41.4	7%	0.072	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.9	172.5	-69	169.8	-65.8	109.6	0	110.5	G181 E183 R185 T884 T885 D887 D927	G181-R561 PolarHBondContact O-NE 2.87Å; E183-R561 WeakPolarHBondContact O-CB 3.36Å; E183-R561 WeakPolarHBondContact O-CD 3.48Å; E183-R561 PolarHBondContact O-NH1 3.11Å; R185-R561 CarbonylContact O-C 3.51Å; R185-R561 VanDerWaalsContact O-CA 3.3Å; R185-R561 WeakPolarHBondContact O-CA 3.48Å; R561-T884 CarbonylContact O-C 3.56Å; R561-T884 WeakPolarHBondContact O-CA 3.38Å; R561-T885 PolarHBondContact N-O 2.67Å; R561-T885 PolarHBondContact O-N 3.39Å; R561-D887 IonicContact CZ-OD1 2.63Å; R561-D887 IonicContact NH2-OD1 2.66Å; R561-D887 PolarHBondContact NH2-OD1 3.45Å; R561-D887 IonicContact NH2-OD2 3.03Å; R561-D887 PolarHBondContact NH2-OD2 3.46Å; R561-D927 IonicContact NH1-OD1 3.92Å; R561-D927 PolarHBondContact NH1-OD1 3.48Å
562	V	97.7	Very high	95.7	Very high	18 Å²	18	42.8 Å²	42.8	11%	0.109	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	99.4	170.5	-168.7	0	0	0	0	108	G184 R185 I187 P881	G184-V562 CarbonylContact C-O 3.48Å; G184-V562 WeakPolarHBondContact CA-O 3.48Å; R185-V562 HydrophobicContact CG-CB 3.87Å; R185-V562 HydrophobicContact CG-CG2 4.22Å; R185-V562 PolarHBondContact N-O 3.26Å; R185-V562 VanDerWaalsContact N-O 3.1Å; R185-V562 PolarHBondContact O-N 3.01Å; I187-V562 HydrophobicContact CB-CG2 3.88Å; I187-V562 HydrophobicContact CD1-CG2 4.12Å; I187-V562 HydrophobicContact CG2-CG2 3.57Å; V562-P881 HydrophobicContact CG1-CB 4.42Å; V562-P881 HydrophobicContact CG1-CG 4.19Å; V562-P881 HydrophobicContact CG2-CG 3.8Å
563	I	96.3	Very high	95.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.5	140.3	-178.1	-63.1	-177.1	0	0	0	109.6	G883 T885 Q930 N931 Y934	I563-G883 PolarHBondContact N-O 2.88Å; I563-T885 HydrophobicContact CD1-CG2 4Å; I563-T885 WeakPolarHBondContact CD1-OG1 3.43Å; I563-Q930 HydrophobicContact CD1-CB 3.64Å; I563-N931 WeakPolarHBondContact CG2-OD1 3.35Å; I563-Y934 HydrophobicContact CB-CD1 4.2Å; I563-Y934 HydrophobicContact CG2-CD1 3.91Å; I563-Y934 VanDerWaalsContact O-CE1 3.29Å; I563-Y934 WeakPolarHBondContact O-CE1 3.24Å
564	P	94.8	Very high	95.1	Very high	77 Å²	77	54 Å²	54	50%	0.5	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-62.3	142.6	178.7	25.7	-35.6	0	0	0	112.5	Y934	P564-Y934 WeakPolarHBondContact O-CD1 3.44Å; P564-Y934 WeakPolarHBondContact O-CE1 3.45Å
565	A	95.8	Very high	94.9	Very high	35 Å²	35	52.2 Å²	52.2	29%	0.289	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-79.1	140.9	173.3	0	0	0	0	0	111	P580 Y934	A565-P580 HydrophobicContact CB-CB 3.89Å; A565-P580 HydrophobicContact CB-CG 4.12Å; A565-Y934 HydrophobicContact CB-CE1 4.23Å
566	P	95.3	Very high	94.7	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.032	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-64.8	146	176.4	28.7	-36.7	0	0	0	111.8	I568 P580 I728 Q935 H938	P566-I568 HydrophobicContact CG-CD1 4.16Å; P566-P580 WeakPolarHBondContact O-CD 3.49Å; P566-P580 VanDerWaalsContact O-CG 3.31Å; P566-P580 WeakPolarHBondContact O-CG 3.38Å; P566-I728 HydrophobicContact CB-CG2 4.05Å; P566-Q935 HydrophobicContact CB-CG 3.98Å; P566-Q935 HydrophobicContact CG-CB 4.36Å; P566-Q935 HydrophobicContact CG-CG 4.03Å; P566-H938 HydrophobicContact CG-CB 4.02Å
567	K	95.1	Very high	94.6	Very high	102 Å²	102	56.9 Å²	56.9	44%	0.443	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-69.7	134.2	164.6	-65.6	179.7	-179.1	177.1	0	109.4	V729	K567-V729 HydrophobicContact CB-CB 4.08Å; K567-V729 HydrophobicContact CB-CG2 3.63Å; K567-V729 WeakPolarHBondContact O-CG2 3.42Å; K567-V729 PolarHBondContact O-N 3.43Å
568	I	95.9	Very high	94.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.4	-178.5	-55	-56.5	0	0	0	108.9	P566 Y570 Q577 A578 P580 W585 I727 H938	P566-I568 HydrophobicContact CG-CD1 4.16Å; I568-Y570 HydrophobicContact CG2-CE2 4.12Å; I568-Q577 CarbonylContact O-C 3.54Å; I568-Q577 WeakPolarHBondContact O-CA 3.41Å; I568-A578 HydrophobicContact CB-CB 4.46Å; I568-A578 PolarHBondContact N-O 3.37Å; I568-A578 PolarHBondContact O-N 3.28Å; I568-P580 HydrophobicContact CG1-CG 3.96Å; I568-W585 HydrophobicContact CG1-CZ2 4.3Å; I568-I727 CarbonylContact C-O 3.59Å; I568-I727 WeakPolarHBondContact CA-O 3.49Å; I568-H938 HydrophobicContact CD1-CB 3.88Å
569	Q	95.9	Very high	94.3	Very high	36 Å²	36	53.9 Å²	53.9	17%	0.168	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.3	-179.8	-169.5	168.4	9.9	0	0	111.5	S726 I727 V729 P730	Q569-S726 WeakPolarHBondContact O-CA 3.14Å; Q569-S726 WeakPolarHBondContact O-CB 3.33Å; Q569-I727 HydrophobicContact CB-CD1 4.49Å; Q569-I727 HydrophobicContact CB-CG1 3.85Å; Q569-I727 PolarHBondContact N-O 2.96Å; Q569-I727 PolarHBondContact O-N 3.45Å; Q569-V729 HydrophobicContact CB-CG2 3.87Å; Q569-P730 VanDerWaalsContact OE1-CD 3.3Å
570	Y	96.4	Very high	94.2	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.268	C	S	.	.			trans	-107	174.1	173.7	-76.7	-85.1	0	0	0	110.7	I568 K575 A576 A578 W585 M587 K590 Q591 T944	I568-Y570 HydrophobicContact CG2-CE2 4.12Å; Y570-K575 CarbonylContact O-C 3.57Å; Y570-K575 WeakPolarHBondContact O-CA 3.31Å; Y570-A576 WeakPolarHBondContact CB-O 3.34Å; Y570-A576 PolarHBondContact N-O 3.23Å; Y570-A578 HydrophobicContact CD2-CB 4.34Å; Y570-A578 HydrophobicContact CE2-CB 3.88Å; Y570-W585 AromaticContact CZ-NE1 3.9Å; Y570-W585 VanDerWaalsContact OH-CD1 3.26Å; Y570-W585 PolarHBondContact OH-NE1 3.24Å; Y570-M587 HydrophobicContact CD1-CE 4.39Å; Y570-M587 HydrophobicContact CE1-CE 4.01Å; Y570-M587 HydrophobicContact CE1-CG 3.84Å; Y570-M587 HydrophobicContact CE1-SD 4.21Å; Y570-K590 HydrophobicContact CD1-CB 4.14Å; Y570-K590 HydrophobicContact CD2-CB 4.08Å; Y570-K590 HydrophobicContact CD2-CD 3.65Å; Y570-K590 HydrophobicContact CD2-CG 4.36Å; Y570-K590 HydrophobicContact CE2-CB 4.48Å; Y570-K590 HydrophobicContact CE2-CD 3.7Å; Y570-K590 HydrophobicContact CG-CB 3.86Å; Y570-K590 HydrophobicContact CG-CD 4.33Å; Y570-Q591 VanDerWaalsContact CB-O 3.3Å; Y570-Q591 WeakPolarHBondContact CB-O 3.3Å; Y570-Q591 WeakPolarHBondContact CD1-O 3.46Å; Y570-T944 WeakPolarHBondContact OH-CG2 3.34Å
571	G	94.2	Very high	93.8	Very high	6 Å²	6	57.9 Å²	57.9	6%	0.062	30%	0.302	C	S	.	.			trans	-105.9	-137.2	-177.5	0	0	0	0	0	112.7	K575 Q591 F592	G571-K575 WeakPolarHBondContact O-CA 3.24Å; G571-K575 PolarHBondContact O-N 3.3Å; G571-K575 VanDerWaalsContact O-N 3.14Å; G571-Q591 PolarHBondContact N-O 2.97Å; G571-F592 WeakPolarHBondContact CA-O 3.34Å; G571-F592 PolarHBondContact N-O 3.01Å
572	G	90.1	Very high	93.2	Very high	33 Å²	33	61.9 Å²	61.9	34%	0.34	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-171.2	-170.4	0	0	0	0	0	113.1	T574 K575 Q591	G572-T574 VanDerWaalsContact C-N 3.25Å; G572-T574 PolarHBondContact O-N 3.34Å; G572-K575 PolarHBondContact O-N 2.82Å; G572-Q591 VanDerWaalsContact CA-OE1 3.22Å
573	R	88.4	Confident	92.8	Very high	255 Å²	255	61.1 Å²	61.1	96%	0.962	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.7	178.8	-65.6	-176	-179.4	-177.8	-0.1	113
574	T	88.2	Confident	92.6	Very high	102 Å²	102	63.1 Å²	63.1	63%	0.626	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-16.9	-175.7	55.3	0	0	0	0	114.3	G572 A576	G572-T574 VanDerWaalsContact C-N 3.25Å; G572-T574 PolarHBondContact O-N 3.34Å; T574-A576 PolarHBondContact O-N 3.25Å; T574-A576 VanDerWaalsContact O-N 3.08Å
575	K	90.2	Very high	92.6	Very high	142 Å²	142	60.4 Å²	60.4	62%	0.617	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	37.5	-175	-62.7	-178.2	179.3	175.9	0	113.2	Y570 G571 G572	Y570-K575 CarbonylContact O-C 3.57Å; Y570-K575 WeakPolarHBondContact O-CA 3.31Å; G571-K575 WeakPolarHBondContact O-CA 3.24Å; G571-K575 PolarHBondContact O-N 3.3Å; G571-K575 VanDerWaalsContact O-N 3.14Å; G572-K575 PolarHBondContact O-N 2.82Å
576	A	93.2	Very high	92.3	Very high	23 Å²	23	60.7 Å²	60.7	19%	0.19	31%	0.309	C	S	.	.			trans	-57.2	147	-164.4	0	0	0	0	0	113	Y570 T574 K590	Y570-A576 WeakPolarHBondContact CB-O 3.34Å; Y570-A576 PolarHBondContact N-O 3.23Å; T574-A576 PolarHBondContact O-N 3.25Å; T574-A576 VanDerWaalsContact O-N 3.08Å; A576-K590 HydrophobicContact CB-CG 4.1Å
577	Q	93.9	Very high	92.1	Very high	100 Å²	100	61.4 Å²	61.4	47%	0.467	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.7	172.7	-64.4	-174.7	14	0	0	110.9	I568 V729	I568-Q577 CarbonylContact O-C 3.54Å; I568-Q577 WeakPolarHBondContact O-CA 3.41Å; Q577-V729 HydrophobicContact CG-CG2 4.15Å
578	A	94	Very high	91.8	Very high	7 Å²	7	66.2 Å²	66.2	6%	0.058	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.1	168.4	0	0	0	0	0	109.2	I568 Y570 P580 W585 K590	I568-A578 HydrophobicContact CB-CB 4.46Å; I568-A578 PolarHBondContact N-O 3.37Å; I568-A578 PolarHBondContact O-N 3.28Å; Y570-A578 HydrophobicContact CD2-CB 4.34Å; Y570-A578 HydrophobicContact CE2-CB 3.88Å; A578-P580 WeakPolarHBondContact O-CD 3.42Å; A578-W585 HydrophobicContact CB-CB 4.17Å; A578-W585 HydrophobicContact CB-CG 4.23Å; A578-K590 HydrophobicContact CB-CD 4.16Å
579	S	93	Very high	91.6	Very high	77 Å²	77	69.6 Å²	69.6	54%	0.538	36%	0.363	S	S	.	.			trans	-93.4	114.8	168.8	-59.8	0	0	0	0	108.4	Q581	S579-Q581 PolarHBondContact O-N 3.29Å
580	P	93.4	Very high	91.5	Very high	17 Å²	17	69.3 Å²	69.3	11%	0.11	36%	0.361	C	S	.	.			trans	-62.1	119.6	176.6	-22.6	34.4	0	0	0	110.8	A565 P566 I568 A578 V584 W585	A565-P580 HydrophobicContact CB-CB 3.89Å; A565-P580 HydrophobicContact CB-CG 4.12Å; P566-P580 WeakPolarHBondContact O-CD 3.49Å; P566-P580 VanDerWaalsContact O-CG 3.31Å; P566-P580 WeakPolarHBondContact O-CG 3.38Å; I568-P580 HydrophobicContact CG1-CG 3.96Å; A578-P580 WeakPolarHBondContact O-CD 3.42Å; P580-V584 CarbonylContact C-O 3.59Å; P580-V584 WeakPolarHBondContact CA-O 3.16Å; P580-W585 HydrophobicContact CB-CE3 3.83Å; P580-W585 HydrophobicContact CB-CZ3 4.35Å; P580-W585 HydrophobicContact CG-CD2 4.41Å; P580-W585 HydrophobicContact CG-CE3 3.86Å; P580-W585 HydrophobicContact CG-CZ3 4.27Å
581	Q	89.8	Confident	91.5	Very high	155 Å²	155	72.3 Å²	72.3	72%	0.724	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-97.1	121.4	172.1	-69.5	-175.6	-11.1	0	0	108.3	S579 G583 V584	S579-Q581 PolarHBondContact O-N 3.29Å; Q581-G583 PolarHBondContact O-N 3.45Å; Q581-G583 VanDerWaalsContact O-N 3.09Å; Q581-V584 PolarHBondContact N-O 3.12Å; Q581-V584 PolarHBondContact O-N 2.72Å
582	L	85.3	Confident	91.7	Very high	103 Å²	103	72.3 Å²	72.3	54%	0.539	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	33.3	176.3	-53.8	166.7	0	0	0	113.1	M874 A904	L582-M874 HydrophobicContact CD1-CE 3.46Å; L582-M874 VanDerWaalsContact CD1-CE 3.46Å; L582-M874 HydrophobicContact CD2-CE 3.51Å; L582-M874 HydrophobicContact CD2-SD 4.07Å; L582-M874 HydrophobicContact CG-CE 4.06Å; L582-A904 WeakPolarHBondContact O-CB 3.35Å
583	G	88.9	Confident	92	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.01	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	15.4	-177.9	0	0	0	0	0	115.6	Q581 R945 S946	Q581-G583 PolarHBondContact O-N 3.45Å; Q581-G583 VanDerWaalsContact O-N 3.09Å; G583-R945 WeakPolarHBondContact O-CA 3.47Å; G583-S946 PolarHBondContact O-N 2.69Å
584	V	93.7	Very high	92.4	Very high	46 Å²	46	64.5 Å²	64.5	28%	0.279	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-133.5	143.7	-178.7	-173	0	0	0	0	111.2	P580 Q581 A904 R945	P580-V584 CarbonylContact C-O 3.59Å; P580-V584 WeakPolarHBondContact CA-O 3.16Å; Q581-V584 PolarHBondContact N-O 3.12Å; Q581-V584 PolarHBondContact O-N 2.72Å; V584-A904 HydrophobicContact CG2-CB 4.43Å; V584-R945 HydrophobicContact CG1-CG 4.38Å; V584-R945 VanDerWaalsContact CG2-CZ 3.42Å
585	W	94.5	Very high	92.8	Very high	20 Å²	20	61 Å²	61	8%	0.076	33%	0.328	C	S	.	.			trans	-143.5	-176.4	164.8	64.6	103.8	0	0	0	110	I568 Y570 A578 P580 H938 T944	I568-W585 HydrophobicContact CG1-CZ2 4.3Å; Y570-W585 AromaticContact CZ-NE1 3.9Å; Y570-W585 VanDerWaalsContact OH-CD1 3.26Å; Y570-W585 PolarHBondContact OH-NE1 3.24Å; A578-W585 HydrophobicContact CB-CB 4.17Å; A578-W585 HydrophobicContact CB-CG 4.23Å; P580-W585 HydrophobicContact CB-CE3 3.83Å; P580-W585 HydrophobicContact CB-CZ3 4.35Å; P580-W585 HydrophobicContact CG-CD2 4.41Å; P580-W585 HydrophobicContact CG-CE3 3.86Å; P580-W585 HydrophobicContact CG-CZ3 4.27Å; W585-H938 HydrophobicContact CH2-CB 4.11Å; W585-H938 AromaticContact CH2-CD2 3.94Å; W585-H938 AromaticContact CZ3-CD2 3.49Å; W585-H938 VanDerWaalsContact CZ3-CD2 3.49Å; W585-H938 WeakPolarHBondContact CZ3-CD2 3.17Å; W585-T944 PolarHBondContact N-O 3.01Å; W585-T944 WeakPolarHBondContact O-CB 3.47Å; W585-T944 PolarHBondContact O-OG1 2.87Å
586	D	90	Very high	93.1	Very high	41 Å²	41	56 Å²	56	22%	0.219	31%	0.308	C	S	.	.			trans	-139.7	172.2	175.9	71.5	40.3	0	0	0	112.6	R588 K590	D586-R588 WeakPolarHBondContact OD1-CB 3.44Å; D586-R588 PolarHBondContact OD1-N 2.99Å; D586-R588 IonicContact OD1-NE 2.77Å; D586-R588 IonicContact OD2-CZ 3.06Å; D586-R588 IonicContact OD2-NE 3.03Å; D586-R588 PolarHBondContact OD2-NE 3.04Å; D586-R588 IonicContact OD2-NH2 2.74Å; D586-R588 PolarHBondContact OD2-NH2 3.29Å; D586-K590 WeakPolarHBondContact O-CD 2.93Å; D586-K590 WeakPolarHBondContact O-CE 3.21Å; D586-K590 PolarHBondContact O-NZ 2.9Å; D586-K590 IonicContact OD1-NZ 3.29Å; D586-K590 PolarHBondContact OD1-NZ 2.94Å
587	M	90.2	Very high	93.3	Very high	19 Å²	19	59.1 Å²	59.1	9%	0.094	32%	0.319	C	S	.	.			trans	-97	8.4	174.5	-74.5	-163.9	68.2	0	0	114.7	Y570 G589 K590 F592 A631 L715 T944	Y570-M587 HydrophobicContact CD1-CE 4.39Å; Y570-M587 HydrophobicContact CE1-CE 4.01Å; Y570-M587 HydrophobicContact CE1-CG 3.84Å; Y570-M587 HydrophobicContact CE1-SD 4.21Å; M587-G589 PolarHBondContact O-N 3.28Å; M587-G589 VanDerWaalsContact O-N 3.11Å; M587-K590 VanDerWaalsContact CE-O 3.28Å; M587-K590 WeakPolarHBondContact CE-O 3.3Å; M587-K590 PolarHBondContact O-N 3Å; M587-F592 HydrophobicContact CE-CD1 3.5Å; M587-F592 HydrophobicContact CE-CE1 3.38Å; M587-F592 HydrophobicContact CE-CG 4.29Å; M587-F592 HydrophobicContact CE-CZ 4.08Å; M587-F592 HydrophobicContact SD-CD1 4.06Å; M587-F592 HydrophobicContact SD-CE1 3.43Å; M587-F592 WeakPolarHBondContact SD-CE1 3.41Å; M587-F592 HydrophobicContact SD-CZ 4.17Å; M587-A631 HydrophobicContact CE-CB 3.89Å; M587-L715 HydrophobicContact SD-CD2 4.01Å; M587-L715 HydrophobicContact SD-CG 4.44Å; M587-T944 HydrophobicContact CG-CG2 3.92Å
588	R	89.3	Confident	93.5	Very high	203 Å²	203	54.4 Å²	54.4	77%	0.766	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	120.9	-178.8	-69.1	-177.2	-69.5	168.1	-0.7	109.6	D586 K590	D586-R588 WeakPolarHBondContact OD1-CB 3.44Å; D586-R588 PolarHBondContact OD1-N 2.99Å; D586-R588 IonicContact OD1-NE 2.77Å; D586-R588 IonicContact OD2-CZ 3.06Å; D586-R588 IonicContact OD2-NE 3.03Å; D586-R588 PolarHBondContact OD2-NE 3.04Å; D586-R588 IonicContact OD2-NH2 2.74Å; D586-R588 PolarHBondContact OD2-NH2 3.29Å; R588-K590 PolarHBondContact O-NZ 3.16Å
589	G	90.5	Very high	93.7	Very high	75 Å²	75	60.2 Å²	60.2	77%	0.773	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	20.9	-174.7	0	0	0	0	0	115.5	M587	M587-G589 PolarHBondContact O-N 3.28Å; M587-G589 VanDerWaalsContact O-N 3.11Å
590	K	94.7	Very high	93.9	Very high	30 Å²	30	58.3 Å²	58.3	13%	0.13	31%	0.305	C	S	.	.			trans	-134.3	131.4	-173.7	-48.1	178.1	-161.1	69.4	0	111	Y570 A576 A578 D586 M587 R588	Y570-K590 HydrophobicContact CD1-CB 4.14Å; Y570-K590 HydrophobicContact CD2-CB 4.08Å; Y570-K590 HydrophobicContact CD2-CD 3.65Å; Y570-K590 HydrophobicContact CD2-CG 4.36Å; Y570-K590 HydrophobicContact CE2-CB 4.48Å; Y570-K590 HydrophobicContact CE2-CD 3.7Å; Y570-K590 HydrophobicContact CG-CB 3.86Å; Y570-K590 HydrophobicContact CG-CD 4.33Å; A576-K590 HydrophobicContact CB-CG 4.1Å; A578-K590 HydrophobicContact CB-CD 4.16Å; D586-K590 WeakPolarHBondContact O-CD 2.93Å; D586-K590 WeakPolarHBondContact O-CE 3.21Å; D586-K590 PolarHBondContact O-NZ 2.9Å; D586-K590 IonicContact OD1-NZ 3.29Å; D586-K590 PolarHBondContact OD1-NZ 2.94Å; M587-K590 VanDerWaalsContact CE-O 3.28Å; M587-K590 WeakPolarHBondContact CE-O 3.3Å; M587-K590 PolarHBondContact O-N 3Å; R588-K590 PolarHBondContact O-NZ 3.16Å
591	Q	97.1	Very high	94.1	Very high	64 Å²	64	57.5 Å²	57.5	30%	0.299	30%	0.3	S	S	.	.			trans	-103.2	153.7	177.3	-67.3	-177.1	-44.3	0	0	111.1	Y570 G571 G572 A631	Y570-Q591 VanDerWaalsContact CB-O 3.3Å; Y570-Q591 WeakPolarHBondContact CB-O 3.3Å; Y570-Q591 WeakPolarHBondContact CD1-O 3.46Å; G571-Q591 PolarHBondContact N-O 2.97Å; G572-Q591 VanDerWaalsContact CA-OE1 3.22Å; Q591-A631 CarbonylContact C-O 3.46Å; Q591-A631 VanDerWaalsContact CA-O 3.3Å; Q591-A631 WeakPolarHBondContact CA-O 3.48Å
592	F	97.7	Very high	94.5	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.022	27%	0.266	C	S	.	.			trans	-55.9	147.9	179.7	-63.2	-48.9	0	0	0	112.9	G571 M587 S594 A631 M633 C714 L715 N718 N725	G571-F592 WeakPolarHBondContact CA-O 3.34Å; G571-F592 PolarHBondContact N-O 3.01Å; M587-F592 HydrophobicContact CE-CD1 3.5Å; M587-F592 HydrophobicContact CE-CE1 3.38Å; M587-F592 HydrophobicContact CE-CG 4.29Å; M587-F592 HydrophobicContact CE-CZ 4.08Å; M587-F592 HydrophobicContact SD-CD1 4.06Å; M587-F592 HydrophobicContact SD-CE1 3.43Å; M587-F592 WeakPolarHBondContact SD-CE1 3.41Å; M587-F592 HydrophobicContact SD-CZ 4.17Å; F592-S594 VanDerWaalsContact C-N 3.3Å; F592-S594 PolarHBondContact O-N 3.11Å; F592-A631 HydrophobicContact CD2-CB 4.45Å; F592-A631 VanDerWaalsContact CD2-O 3.32Å; F592-A631 WeakPolarHBondContact CD2-O 3.21Å; F592-A631 HydrophobicContact CE2-CB 3.93Å; F592-A631 HydrophobicContact CZ-CB 4.05Å; F592-A631 PolarHBondContact N-O 2.88Å; F592-M633 HydrophobicContact CD2-CB 3.8Å; F592-M633 HydrophobicContact CE2-CB 3.69Å; F592-M633 HydrophobicContact CE2-CG 4.47Å; F592-M633 HydrophobicContact CE2-SD 4.3Å; F592-C714 HydrophobicContact CE2-CB 4.35Å; F592-C714 HydrophobicContact CZ-CB 4.08Å; F592-L715 HydrophobicContact CE1-CD2 3.73Å; F592-L715 HydrophobicContact CE1-CG 4.41Å; F592-L715 HydrophobicContact CZ-CD2 4.44Å; F592-N718 HydrophobicContact CD2-CB 3.96Å; F592-N718 HydrophobicContact CE2-CB 3.75Å; F592-N718 HydrophobicContact CZ-CB 4.27Å; F592-N725 WeakPolarHBondContact CA-O 3.44Å; F592-N725 HydrophobicContact CD1-CB 3.82Å; F592-N725 HydrophobicContact CE1-CB 4.09Å
593	F	97.1	Very high	95.2	Very high	71 Å²	71	45.3 Å²	45.3	31%	0.311	24%	0.24	S	C	.	.	S	Bend	trans	-58.2	-42.3	177.3	-175.1	-93.7	0	0	0	112.3	I724 N725 I727 H771	F593-I724 HydrophobicContact CB-CB 4.45Å; F593-I724 HydrophobicContact CB-CG2 4.06Å; F593-I724 WeakPolarHBondContact CB-O 3.41Å; F593-I724 HydrophobicContact CD1-CB 4.18Å; F593-I724 HydrophobicContact CD1-CD1 4.47Å; F593-I724 HydrophobicContact CD1-CG2 3.85Å; F593-I724 HydrophobicContact CG-CG2 4.32Å; F593-I724 PolarHBondContact N-O 3.37Å; F593-I724 VanDerWaalsContact N-O 3.08Å; F593-N725 PolarHBondContact N-O 3.09Å; F593-I727 HydrophobicContact CD1-CG2 3.89Å; F593-I727 HydrophobicContact CD2-CD1 4.04Å; F593-I727 HydrophobicContact CD2-CG1 3.94Å; F593-I727 HydrophobicContact CD2-CG2 4.25Å; F593-I727 HydrophobicContact CE1-CD1 4.42Å; F593-I727 HydrophobicContact CE1-CG2 4.13Å; F593-I727 HydrophobicContact CE2-CD1 3.47Å; F593-I727 VanDerWaalsContact CE2-CD1 3.47Å; F593-I727 HydrophobicContact CE2-CG1 3.9Å; F593-I727 HydrophobicContact CE2-CG2 4.48Å; F593-I727 HydrophobicContact CG-CG1 4.48Å; F593-I727 HydrophobicContact CG-CG2 3.95Å; F593-I727 HydrophobicContact CZ-CD1 3.69Å; F593-I727 HydrophobicContact CZ-CG1 4.41Å; F593-I727 HydrophobicContact CZ-CG2 4.42Å; F593-H771 AromaticContact CE1-NE2 3.98Å
594	S	96.5	Very high	95.6	Very high	53 Å²	53	45.2 Å²	45.2	37%	0.371	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-134.9	105.9	162.1	178.3	0	0	0	0	107.6	F592 N718 G723 I724	F592-S594 VanDerWaalsContact C-N 3.3Å; F592-S594 PolarHBondContact O-N 3.11Å; S594-N718 PolarHBondContact O-ND2 3.4Å; S594-G723 CarbonylContact O-C 3.56Å; S594-G723 WeakPolarHBondContact O-CA 3.24Å; S594-I724 PolarHBondContact N-O 3.34Å; S594-I724 PolarHBondContact O-N 2.63Å
595	G	95.9	Very high	95.8	Very high	29 Å²	29	43 Å²	43	30%	0.299	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-92.3	137.1	174.7	0	0	0	0	0	111.2	G632 N718	G595-G632 WeakPolarHBondContact CA-O 3.41Å; G595-N718 WeakPolarHBondContact CA-OD1 3.49Å
596	I	97.2	Very high	96	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.195	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-89.5	132	177	-56	-59.3	0	0	0	110.5	M633 N718 L721	I596-M633 WeakPolarHBondContact O-CA 3.17Å; I596-M633 WeakPolarHBondContact O-CG 3.35Å; I596-N718 PolarHBondContact N-OD1 2.78Å; I596-L721 HydrophobicContact CB-CB 4.13Å; I596-L721 HydrophobicContact CG1-CB 3.95Å; I596-L721 HydrophobicContact CG2-CB 3.91Å; I596-L721 HydrophobicContact CG2-CD1 4.13Å
597	E	97.7	Very high	96.3	Very high	88 Å²	88	40.6 Å²	40.6	41%	0.411	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-78.3	125.4	168.8	-178.2	169.7	99.6	0	0	110	K599 P634 L636 Q666	E597-K599 HydrophobicContact CG-CG 4.34Å; E597-K599 WeakPolarHBondContact OE1-CE 3.45Å; E597-K599 IonicContact OE1-NZ 3.74Å; E597-K599 PolarHBondContact OE1-NZ 2.82Å; E597-P634 HydrophobicContact CB-CG 4.3Å; E597-P634 HydrophobicContact CG-CG 4.24Å; E597-L636 HydrophobicContact CG-CD1 3.7Å; E597-L636 HydrophobicContact CG-CG 4.12Å; E597-Q666 PolarHBondContact O-NE2 3.18Å
598	I	98.1	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-108.5	105.6	-174.4	-56.4	178.5	0	0	0	108.6	W601 M633 P634 I635 L636 L667 I717 L721	I598-W601 HydrophobicContact CG2-CB 3.84Å; I598-W601 HydrophobicContact CG2-CG 4.05Å; I598-M633 HydrophobicContact CD1-CE 3.91Å; I598-M633 HydrophobicContact CD1-CG 4.02Å; I598-M633 HydrophobicContact CD1-SD 3.91Å; I598-M633 HydrophobicContact CG1-CG 4.45Å; I598-P634 PolarHBondContact N-O 2.84Å; I598-I635 HydrophobicContact CB-CG1 4.1Å; I598-I635 HydrophobicContact CD1-CG1 3.94Å; I598-I635 HydrophobicContact CG1-CG1 4.46Å; I598-I635 HydrophobicContact CG2-CG1 4.49Å; I598-L636 PolarHBondContact O-N 3.35Å; I598-L667 HydrophobicContact CD1-CD2 4.46Å; I598-I717 HydrophobicContact CD1-CG2 3.58Å; I598-L721 HydrophobicContact CD1-CD1 3.51Å; I598-L721 HydrophobicContact CG1-CD1 3.6Å
599	K	97.1	Very high	96.7	Very high	129 Å²	129	37.3 Å²	37.3	56%	0.561	21%	0.212	S	C	*	.			trans	-96.6	-46.5	-176.2	-59.5	-175.7	179	-172.1	0	112.6	E597 L636	E597-K599 HydrophobicContact CG-CG 4.34Å; E597-K599 WeakPolarHBondContact OE1-CE 3.45Å; E597-K599 IonicContact OE1-NZ 3.74Å; E597-K599 PolarHBondContact OE1-NZ 2.82Å; K599-L636 HydrophobicContact CG-CD1 4.39Å
600	V	97.7	Very high	96.9	Very high	37 Å²	37	44.4 Å²	44.4	22%	0.224	22%	0.215	C	C	.	.	S	Bend	trans	-121.8	111.9	-174	-171.4	0	0	0	0	108.7	C640 H662 L665 Q666	V600-C640 HydrophobicContact CG1-CB 4.48Å; V600-H662 HydrophobicContact CG1-CB 4.15Å; V600-L665 HydrophobicContact CG1-CB 4.28Å; V600-L665 HydrophobicContact CG1-CD1 4.24Å; V600-Q666 PolarHBondContact O-N 3.19Å
601	W	98.2	Very high	96.8	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.2	-175	70.1	-74.1	0	0	0	111.4	I598 I603 T621 I635 G637 P639 C640 L667 V669	I598-W601 HydrophobicContact CG2-CB 3.84Å; I598-W601 HydrophobicContact CG2-CG 4.05Å; W601-I603 HydrophobicContact CE3-CG1 4.27Å; W601-I603 HydrophobicContact CH2-CD1 3.99Å; W601-I603 HydrophobicContact CH2-CG1 4.27Å; W601-I603 HydrophobicContact CZ3-CD1 3.78Å; W601-I603 HydrophobicContact CZ3-CG1 3.6Å; W601-T621 HydrophobicContact CH2-CG2 3.67Å; W601-T621 HydrophobicContact CZ2-CG2 3.87Å; W601-I635 HydrophobicContact CD2-CG2 4.21Å; W601-I635 VanDerWaalsContact CE2-CG2 3.46Å; W601-I635 HydrophobicContact CZ2-CG2 3.7Å; W601-I635 VanDerWaalsContact NE1-CG2 3.34Å; W601-G637 PolarHBondContact NE1-O 3.34Å; W601-P639 HydrophobicContact CD2-CB 3.9Å; W601-P639 HydrophobicContact CE3-CB 3.97Å; W601-P639 HydrophobicContact CH2-CB 3.98Å; W601-P639 HydrophobicContact CH2-CG 4.02Å; W601-P639 HydrophobicContact CZ2-CB 3.9Å; W601-P639 HydrophobicContact CZ2-CG 4.08Å; W601-P639 HydrophobicContact CZ3-CB 4.01Å; W601-P639 HydrophobicContact CZ3-CG 4.41Å; W601-P639 CarbonylContact O-C 3.55Å; W601-P639 WeakPolarHBondContact O-CA 3.41Å; W601-P639 WeakPolarHBondContact O-CB 3.42Å; W601-C640 PolarHBondContact O-N 3.38Å; W601-C640 PolarHBondContact O-SG 3.37Å; W601-C640 VanDerWaalsContact O-SG 3.36Å; W601-L667 CarbonylContact C-O 3.59Å; W601-L667 VanDerWaalsContact CA-O 3.27Å; W601-L667 WeakPolarHBondContact CA-O 3.42Å; W601-L667 HydrophobicContact CB-CB 4.15Å; W601-V669 HydrophobicContact CE3-CG2 4.1Å; W601-V669 HydrophobicContact CZ3-CG2 4.17Å
602	A	98.3	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.1	-173.7	0	0	0	0	0	112.6	F641 L658 L665 L667 V669	A602-F641 CarbonylContact C-O 3.55Å; A602-F641 WeakPolarHBondContact CA-O 3.28Å; A602-F641 HydrophobicContact CB-CB 4.01Å; A602-F641 HydrophobicContact CB-CD1 4.46Å; A602-L658 HydrophobicContact CB-CD1 4.24Å; A602-L658 HydrophobicContact CB-CD2 3.88Å; A602-L665 HydrophobicContact CB-CD1 4.23Å; A602-L667 PolarHBondContact N-O 2.83Å; A602-V669 PolarHBondContact O-N 2.71Å
603	I	98.3	Very high	96.7	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.9	171.2	-59.1	-178.4	0	0	0	109.9	W601 L617 T621 P639 F641 C642 K643 V669 V671	W601-I603 HydrophobicContact CE3-CG1 4.27Å; W601-I603 HydrophobicContact CH2-CD1 3.99Å; W601-I603 HydrophobicContact CH2-CG1 4.27Å; W601-I603 HydrophobicContact CZ3-CD1 3.78Å; W601-I603 HydrophobicContact CZ3-CG1 3.6Å; I603-L617 HydrophobicContact CG2-CD2 4.37Å; I603-T621 WeakPolarHBondContact CD1-OG1 3.42Å; I603-P639 HydrophobicContact CD1-CB 4.47Å; I603-P639 HydrophobicContact CD1-CG 3.93Å; I603-P639 HydrophobicContact CG1-CB 4.12Å; I603-P639 HydrophobicContact CG1-CG 4.09Å; I603-F641 PolarHBondContact N-O 3.17Å; I603-C642 HydrophobicContact CB-CB 4.37Å; I603-C642 WeakPolarHBondContact O-CA 3.25Å; I603-K643 PolarHBondContact O-N 3.18Å; I603-V669 WeakPolarHBondContact CA-O 3.36Å; I603-V669 HydrophobicContact CG1-CB 4.42Å; I603-V671 HydrophobicContact CG2-CG2 4.48Å
604	A	98.1	Very high	96.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.2	171.6	0	0	0	0	0	109.9	F606 M654 I668 V669 V670 V671	A604-F606 HydrophobicContact CB-CD2 4.43Å; A604-F606 HydrophobicContact CB-CE2 3.92Å; A604-M654 HydrophobicContact CB-SD 3.58Å; A604-M654 VanDerWaalsContact CB-SD 3.58Å; A604-I668 HydrophobicContact CB-CG2 4.26Å; A604-V669 PolarHBondContact N-O 3.24Å; A604-V670 CarbonylContact O-C 3.53Å; A604-V670 WeakPolarHBondContact O-CA 2.98Å; A604-V671 PolarHBondContact O-N 2.92Å
605	C	98.1	Very high	96.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	99.6	-174.9	-165.4	0	0	0	0	112	A607 L617 K643 Y644 A645 V671	C605-A607 VanDerWaalsContact C-N 3.27Å; C605-A607 PolarHBondContact SG-O 3.06Å; C605-L617 HydrophobicContact CB-CD1 4.31Å; C605-K643 PolarHBondContact N-O 2.96Å; C605-Y644 HydrophobicContact CB-CD1 3.63Å; C605-Y644 HydrophobicContact CB-CE1 3.89Å; C605-Y644 HydrophobicContact CB-CG 4.33Å; C605-Y644 CarbonylContact O-C 3.58Å; C605-Y644 VanDerWaalsContact O-CA 3.24Å; C605-Y644 WeakPolarHBondContact O-CA 3.27Å; C605-Y644 VanDerWaalsContact SG-CE1 3.59Å; C605-A645 PolarHBondContact O-N 3.24Å; C605-V671 HydrophobicContact CB-CB 4.38Å
606	F	97.7	Very high	96.6	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.039	25%	0.252	C	S	.	.			trans	-87.7	5.7	174.3	-69.2	-96.2	0	0	0	113	A604 A645 G647 Q650 V651 V670 V671 L672 P673 V678	A604-F606 HydrophobicContact CB-CD2 4.43Å; A604-F606 HydrophobicContact CB-CE2 3.92Å; F606-A645 WeakPolarHBondContact CA-O 3.47Å; F606-A645 HydrophobicContact CD1-CB 3.79Å; F606-A645 HydrophobicContact CE1-CB 3.49Å; F606-A645 VanDerWaalsContact CE1-CB 3.49Å; F606-A645 HydrophobicContact CE2-CB 4.33Å; F606-A645 HydrophobicContact CG-CB 4.33Å; F606-A645 HydrophobicContact CZ-CB 3.77Å; F606-G647 WeakPolarHBondContact CD1-O 3.49Å; F606-G647 WeakPolarHBondContact CE1-O 3.32Å; F606-Q650 HydrophobicContact CE1-CB 4.28Å; F606-V651 HydrophobicContact CE1-CG2 3.68Å; F606-V651 HydrophobicContact CE2-CG2 4.28Å; F606-V651 HydrophobicContact CZ-CB 4.32Å; F606-V651 HydrophobicContact CZ-CG2 3.5Å; F606-V670 HydrophobicContact CD2-CG1 3.7Å; F606-V670 HydrophobicContact CE2-CG1 4.02Å; F606-V671 WeakPolarHBondContact CA-O 3.24Å; F606-V671 PolarHBondContact N-O 3.36Å; F606-L672 HydrophobicContact CB-CD2 4.13Å; F606-P673 WeakPolarHBondContact O-CD 3.31Å; F606-V678 HydrophobicContact CB-CG1 4.14Å; F606-V678 HydrophobicContact CD1-CG1 3.73Å; F606-V678 HydrophobicContact CD1-CG2 4.43Å; F606-V678 HydrophobicContact CD2-CG1 4.17Å; F606-V678 HydrophobicContact CE1-CG1 4.14Å; F606-V678 HydrophobicContact CG-CG1 3.74Å
607	A	96.1	Very high	96.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-87.6	132.6	166.1	0	0	0	0	0	109.4	C605 Q609 V612 Y644 V671 P673	C605-A607 VanDerWaalsContact C-N 3.27Å; C605-A607 PolarHBondContact SG-O 3.06Å; A607-Q609 PolarHBondContact O-N 2.84Å; A607-V612 HydrophobicContact CB-CB 4.18Å; A607-V612 HydrophobicContact CB-CG2 3.58Å; A607-Y644 WeakPolarHBondContact O-CD1 3.49Å; A607-V671 HydrophobicContact CB-CG1 4.29Å; A607-P673 HydrophobicContact CB-CB 4.2Å
608	P	94.5	Very high	96.4	Very high	49 Å²	49	56.5 Å²	56.5	32%	0.318	25%	0.25	S	S	.	.			trans	-53.3	140.3	175.4	-28.3	34.8	0	0	0	112.6	R610 I611 V612	P608-R610 HydrophobicContact CB-CG 4.16Å; P608-R610 PolarHBondContact O-N 3.32Å; P608-I611 HydrophobicContact CB-CG1 4.46Å; P608-I611 HydrophobicContact CG-CD1 4.3Å; P608-I611 WeakPolarHBondContact O-CA 3.17Å; P608-I611 WeakPolarHBondContact O-CB 3.49Å; P608-I611 PolarHBondContact O-N 2.79Å; P608-V612 PolarHBondContact O-N 2.92Å; P608-V612 VanDerWaalsContact O-N 3.09Å
609	Q	94.5	Very high	96.4	Very high	105 Å²	105	60.5 Å²	60.5	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.8	-177.9	-165.3	-178.7	26.2	0	0	113.4	A607 I611 V612 E614 Y644	A607-Q609 PolarHBondContact O-N 2.84Å; Q609-I611 VanDerWaalsContact C-N 3.29Å; Q609-I611 PolarHBondContact O-N 3.49Å; Q609-V612 CarbonylContact C-O 3.52Å; Q609-V612 WeakPolarHBondContact CA-O 3.34Å; Q609-V612 CarbonylContact O-C 3.52Å; Q609-V612 VanDerWaalsContact O-O 3.07Å; Q609-E614 PolarHBondContact NE2-OE1 3.05Å; Q609-Y644 HydrophobicContact CB-CD1 4.21Å; Q609-Y644 HydrophobicContact CB-CE1 3.99Å; Q609-Y644 HydrophobicContact CB-CE2 4.34Å; Q609-Y644 HydrophobicContact CB-CG 4.48Å; Q609-Y644 HydrophobicContact CG-CD2 4.36Å; Q609-Y644 HydrophobicContact CG-CE1 4.14Å; Q609-Y644 HydrophobicContact CG-CE2 3.81Å
610	R	93.7	Very high	96.4	Very high	223 Å²	223	54.4 Å²	54.4	84%	0.842	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.7	172.3	71	178.6	180	159.7	-1.9	114.4	P608	P608-R610 HydrophobicContact CB-CG 4.16Å; P608-R610 PolarHBondContact O-N 3.32Å
611	I	93.4	Very high	96.4	Very high	76 Å²	76	52.9 Å²	52.9	39%	0.39	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-41.1	179.4	-57	-179.7	0	0	0	111	P608 Q609 N703	P608-I611 HydrophobicContact CB-CG1 4.46Å; P608-I611 HydrophobicContact CG-CD1 4.3Å; P608-I611 WeakPolarHBondContact O-CA 3.17Å; P608-I611 WeakPolarHBondContact O-CB 3.49Å; P608-I611 PolarHBondContact O-N 2.79Å; Q609-I611 VanDerWaalsContact C-N 3.29Å; Q609-I611 PolarHBondContact O-N 3.49Å; I611-N703 PolarHBondContact O-ND2 3.43Å
612	V	96.1	Very high	96.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-122.8	106.9	175.1	-179.6	0	0	0	0	107	A607 P608 Q609 L617 Y644 V671 S699 V702	A607-V612 HydrophobicContact CB-CB 4.18Å; A607-V612 HydrophobicContact CB-CG2 3.58Å; P608-V612 PolarHBondContact O-N 2.92Å; P608-V612 VanDerWaalsContact O-N 3.09Å; Q609-V612 CarbonylContact C-O 3.52Å; Q609-V612 WeakPolarHBondContact CA-O 3.34Å; Q609-V612 CarbonylContact O-C 3.52Å; Q609-V612 VanDerWaalsContact O-O 3.07Å; V612-L617 HydrophobicContact CG1-CD2 3.74Å; V612-L617 HydrophobicContact CG1-CG 3.97Å; V612-Y644 WeakPolarHBondContact O-CE1 3.22Å; V612-Y644 PolarHBondContact O-OH 3.36Å; V612-V671 HydrophobicContact CG2-CG1 4.28Å; V612-S699 VanDerWaalsContact CG2-CB 3.5Å; V612-V702 HydrophobicContact CG1-CG1 3.93Å
613	R	96.3	Very high	96.3	Very high	179 Å²	179	61.4 Å²	61.4	68%	0.675	28%	0.278	S	S	*	.			trans	-81.3	161.6	-179.9	-61.6	-179.3	-175.3	174.8	-0.2	110.5	E615 S616 L617	R613-E615 VanDerWaalsContact C-N 3.29Å; R613-E615 PolarHBondContact O-N 3.26Å; R613-S616 WeakPolarHBondContact O-CA 3.35Å; R613-S616 VanDerWaalsContact O-CB 3.25Å; R613-S616 WeakPolarHBondContact O-CB 3.26Å; R613-S616 PolarHBondContact O-N 2.84Å; R613-L617 PolarHBondContact O-N 2.9Å; R613-L617 VanDerWaalsContact O-N 3.12Å
614	E	95.2	Very high	96.2	Very high	113 Å²	113	61.4 Å²	61.4	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-37.5	179.5	-68.2	175.7	-166.2	0	0	112.3	Q609 S616 L617 R618 Y644	Q609-E614 PolarHBondContact NE2-OE1 3.05Å; E614-S616 VanDerWaalsContact C-N 3.26Å; E614-S616 PolarHBondContact O-N 3.36Å; E614-L617 WeakPolarHBondContact O-CA 3.39Å; E614-L617 WeakPolarHBondContact O-CB 3.17Å; E614-L617 PolarHBondContact O-N 3.03Å; E614-R618 PolarHBondContact O-N 2.59Å; E614-Y644 HydrophobicContact CG-CE2 3.72Å; E614-Y644 WeakPolarHBondContact CG-OH 3.33Å; E614-Y644 PolarHBondContact N-OH 3.14Å
615	E	95.3	Very high	96.2	Very high	85 Å²	85	62.9 Å²	62.9	40%	0.397	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-34.4	172.4	-177.3	57.2	-165.7	0	0	112.4	R613 R618 L619	R613-E615 VanDerWaalsContact C-N 3.29Å; R613-E615 PolarHBondContact O-N 3.26Å; E615-R618 VanDerWaalsContact CD-NH2 3.32Å; E615-R618 PolarHBondContact O-N 2.83Å; E615-R618 IonicContact OE1-CZ 2.74Å; E615-R618 IonicContact OE1-NE 2.77Å; E615-R618 IonicContact OE1-NH2 3.92Å; E615-R618 PolarHBondContact OE1-NH2 2.88Å; E615-R618 IonicContact OE2-CZ 3.18Å; E615-R618 VanDerWaalsContact OE2-CZ 3.32Å; E615-R618 IonicContact OE2-NE 3.19Å; E615-R618 PolarHBondContact OE2-NE 2.74Å; E615-R618 IonicContact OE2-NH2 2.63Å; E615-R618 PolarHBondContact OE2-NH2 2.79Å; E615-R618 VanDerWaalsContact OE2-NH2 3.1Å; E615-L619 HydrophobicContact CG-CD1 3.99Å; E615-L619 HydrophobicContact CG-CG 4.37Å; E615-L619 WeakPolarHBondContact O-CB 3.3Å; E615-L619 VanDerWaalsContact O-CG 3.28Å; E615-L619 WeakPolarHBondContact O-CG 3.34Å; E615-L619 PolarHBondContact O-N 3.01Å; E615-L619 WeakPolarHBondContact OE1-CG 3.42Å
616	S	96.5	Very high	96.2	Very high	29 Å²	29	69.3 Å²	69.3	20%	0.203	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-35.7	173.5	-48.8	0	0	0	0	111.8	R613 E614 F620	R613-S616 WeakPolarHBondContact O-CA 3.35Å; R613-S616 VanDerWaalsContact O-CB 3.25Å; R613-S616 WeakPolarHBondContact O-CB 3.26Å; R613-S616 PolarHBondContact O-N 2.84Å; E614-S616 VanDerWaalsContact C-N 3.26Å; E614-S616 PolarHBondContact O-N 3.36Å; S616-F620 WeakPolarHBondContact O-CB 3.44Å; S616-F620 PolarHBondContact O-N 3.03Å
617	L	96.6	Very high	96.1	Very high	5 Å²	5	70.4 Å²	70.4	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-38.8	172.4	-63.3	174.8	0	0	0	111.9	I603 C605 V612 R613 E614 T621 Y644 V671 V702	I603-L617 HydrophobicContact CG2-CD2 4.37Å; C605-L617 HydrophobicContact CB-CD1 4.31Å; V612-L617 HydrophobicContact CG1-CD2 3.74Å; V612-L617 HydrophobicContact CG1-CG 3.97Å; R613-L617 PolarHBondContact O-N 2.9Å; R613-L617 VanDerWaalsContact O-N 3.12Å; E614-L617 WeakPolarHBondContact O-CA 3.39Å; E614-L617 WeakPolarHBondContact O-CB 3.17Å; E614-L617 PolarHBondContact O-N 3.03Å; L617-T621 VanDerWaalsContact O-CB 3.29Å; L617-T621 WeakPolarHBondContact O-CB 3.26Å; L617-T621 PolarHBondContact O-N 3.36Å; L617-T621 PolarHBondContact O-OG1 3.41Å; L617-Y644 HydrophobicContact CD1-CE1 4.2Å; L617-Y644 WeakPolarHBondContact CD1-OH 3.49Å; L617-V671 HydrophobicContact CD2-CG2 4.02Å; L617-V702 HydrophobicContact CD2-CG1 4.04Å
618	R	96	Very high	96.2	Very high	145 Å²	145	70.4 Å²	70.4	55%	0.547	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-48.5	177.9	-164.6	-179.7	71.5	106.6	4.4	111.7	E614 E615 T621 L622	E614-R618 PolarHBondContact O-N 2.59Å; E615-R618 VanDerWaalsContact CD-NH2 3.32Å; E615-R618 PolarHBondContact O-N 2.83Å; E615-R618 IonicContact OE1-CZ 2.74Å; E615-R618 IonicContact OE1-NE 2.77Å; E615-R618 IonicContact OE1-NH2 3.92Å; E615-R618 PolarHBondContact OE1-NH2 2.88Å; E615-R618 IonicContact OE2-CZ 3.18Å; E615-R618 VanDerWaalsContact OE2-CZ 3.32Å; E615-R618 IonicContact OE2-NE 3.19Å; E615-R618 PolarHBondContact OE2-NE 2.74Å; E615-R618 IonicContact OE2-NH2 2.63Å; E615-R618 PolarHBondContact OE2-NH2 2.79Å; E615-R618 VanDerWaalsContact OE2-NH2 3.1Å; R618-T621 WeakPolarHBondContact O-CB 3.33Å; R618-T621 PolarHBondContact O-N 2.95Å; R618-L622 PolarHBondContact O-N 3.41Å
619	L	96.4	Very high	96.3	Very high	84 Å²	84	72.7 Å²	72.7	44%	0.44	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-42	176.2	-69.4	170.2	0	0	0	112.1	E615 T621 Q623	E615-L619 HydrophobicContact CG-CD1 3.99Å; E615-L619 HydrophobicContact CG-CG 4.37Å; E615-L619 WeakPolarHBondContact O-CB 3.3Å; E615-L619 VanDerWaalsContact O-CG 3.28Å; E615-L619 WeakPolarHBondContact O-CG 3.34Å; E615-L619 PolarHBondContact O-N 3.01Å; E615-L619 WeakPolarHBondContact OE1-CG 3.42Å; L619-T621 VanDerWaalsContact C-N 3.35Å; L619-Q623 WeakPolarHBondContact O-CG 3.46Å; L619-Q623 PolarHBondContact O-N 3.21Å
620	F	97.7	Very high	96.3	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.009	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-45.6	172.5	167.3	-95.7	0	0	0	111.7	S616 Q623 L624 V669 V697 V702 T705 L710 L713	S616-F620 WeakPolarHBondContact O-CB 3.44Å; S616-F620 PolarHBondContact O-N 3.03Å; F620-Q623 PolarHBondContact O-N 3.37Å; F620-L624 HydrophobicContact CE1-CD2 3.98Å; F620-L624 HydrophobicContact CZ-CD2 3.91Å; F620-L624 VanDerWaalsContact O-CB 3.25Å; F620-L624 WeakPolarHBondContact O-CB 3.47Å; F620-L624 PolarHBondContact O-N 3.49Å; F620-V669 HydrophobicContact CE1-CG1 4.21Å; F620-V669 HydrophobicContact CZ-CG1 4.43Å; F620-V697 HydrophobicContact CE2-CG1 4.35Å; F620-V697 HydrophobicContact CZ-CG2 4.25Å; F620-V702 HydrophobicContact CB-CG1 3.77Å; F620-V702 HydrophobicContact CD2-CB 4.31Å; F620-V702 HydrophobicContact CD2-CG1 4.31Å; F620-V702 HydrophobicContact CD2-CG2 4.07Å; F620-V702 HydrophobicContact CE2-CG2 4.22Å; F620-V702 HydrophobicContact CG-CB 4.44Å; F620-V702 HydrophobicContact CG-CG1 3.95Å; F620-V702 HydrophobicContact CG-CG2 4.33Å; F620-T705 HydrophobicContact CB-CG2 4.41Å; F620-T705 HydrophobicContact CD2-CG2 3.85Å; F620-L710 HydrophobicContact CD2-CD2 4.18Å; F620-L710 HydrophobicContact CE2-CD2 3.82Å; F620-L713 HydrophobicContact CE2-CD2 4.34Å; F620-L713 HydrophobicContact CZ-CD2 4.05Å
621	T	97.4	Very high	96.4	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-50.3	179.1	-65.5	0	0	0	0	111.5	W601 I603 L617 R618 L619 Q623 L624 Q625	W601-T621 HydrophobicContact CH2-CG2 3.67Å; W601-T621 HydrophobicContact CZ2-CG2 3.87Å; I603-T621 WeakPolarHBondContact CD1-OG1 3.42Å; L617-T621 VanDerWaalsContact O-CB 3.29Å; L617-T621 WeakPolarHBondContact O-CB 3.26Å; L617-T621 PolarHBondContact O-N 3.36Å; L617-T621 PolarHBondContact O-OG1 3.41Å; R618-T621 WeakPolarHBondContact O-CB 3.33Å; R618-T621 PolarHBondContact O-N 2.95Å; L619-T621 VanDerWaalsContact C-N 3.35Å; T621-Q623 PolarHBondContact O-N 3.06Å; T621-L624 PolarHBondContact O-N 2.89Å; T621-Q625 HydrophobicContact CG2-CG 4.4Å; T621-Q625 WeakPolarHBondContact O-CB 3.25Å; T621-Q625 WeakPolarHBondContact O-CG 3.36Å; T621-Q625 PolarHBondContact O-N 2.84Å
622	L	97.1	Very high	96.5	Very high	103 Å²	103	59 Å²	59	54%	0.539	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-38.5	-178.3	-173.3	144.7	0	0	0	112.4	R618 K626	R618-L622 PolarHBondContact O-N 3.41Å; L622-K626 PolarHBondContact O-N 3.26Å; L622-K626 VanDerWaalsContact O-N 3.12Å
623	Q	97.4	Very high	96.6	Very high	77 Å²	77	59 Å²	59	36%	0.36	28%	0.281	S	S	.	.	H	α-helix	trans	-72.2	-35.6	174	-68.6	-169.8	10.2	0	0	113	L619 F620 T621 I627 T705 L710	L619-Q623 WeakPolarHBondContact O-CG 3.46Å; L619-Q623 PolarHBondContact O-N 3.21Å; F620-Q623 PolarHBondContact O-N 3.37Å; T621-Q623 PolarHBondContact O-N 3.06Å; Q623-I627 WeakPolarHBondContact O-CG1 3.25Å; Q623-I627 PolarHBondContact O-N 3.02Å; Q623-T705 VanDerWaalsContact OE1-CB 3.28Å; Q623-T705 PolarHBondContact OE1-OG1 2.96Å; Q623-L710 HydrophobicContact CB-CD1 3.67Å
624	L	97.5	Very high	96.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-65.5	-45.9	174.6	-179.3	61.4	0	0	0	110.9	F620 T621 K626 I627 S628 I635 L710 L713	F620-L624 HydrophobicContact CE1-CD2 3.98Å; F620-L624 HydrophobicContact CZ-CD2 3.91Å; F620-L624 VanDerWaalsContact O-CB 3.25Å; F620-L624 WeakPolarHBondContact O-CB 3.47Å; F620-L624 PolarHBondContact O-N 3.49Å; T621-L624 PolarHBondContact O-N 2.89Å; L624-K626 PolarHBondContact O-N 3.46Å; L624-I627 PolarHBondContact O-N 3.23Å; L624-S628 WeakPolarHBondContact O-CB 3.36Å; L624-S628 PolarHBondContact O-N 3.01Å; L624-S628 PolarHBondContact O-OG 3.26Å; L624-I635 HydrophobicContact CD2-CD1 4.16Å; L624-I635 HydrophobicContact CG-CD1 3.86Å; L624-L710 HydrophobicContact CB-CD2 4.35Å; L624-L710 HydrophobicContact CD1-CD2 4.19Å; L624-L713 HydrophobicContact CD1-CD2 4.18Å
625	Q	97.8	Very high	96.8	Very high	32 Å²	32	47 Å²	47	15%	0.15	24%	0.236	C	C	.	.	H	α-helix	trans	-53.7	-50.7	173.8	-77.8	166.5	-31.3	0	0	111	T621 S628 N629 I635 G637	T621-Q625 HydrophobicContact CG2-CG 4.4Å; T621-Q625 WeakPolarHBondContact O-CB 3.25Å; T621-Q625 WeakPolarHBondContact O-CG 3.36Å; T621-Q625 PolarHBondContact O-N 2.84Å; Q625-S628 WeakPolarHBondContact CA-OG 3.26Å; Q625-S628 PolarHBondContact O-N 3.38Å; Q625-S628 PolarHBondContact O-OG 3.43Å; Q625-N629 WeakPolarHBondContact O-CB 3.46Å; Q625-N629 PolarHBondContact O-N 3.35Å; Q625-I635 HydrophobicContact CG-CB 4.05Å; Q625-I635 HydrophobicContact CG-CG2 3.89Å; Q625-G637 PolarHBondContact NE2-O 3.1Å
626	K	96.8	Very high	96.7	Very high	135 Å²	135	46.7 Å²	46.7	59%	0.587	24%	0.236	S	C	*	.	H	α-helix	trans	-55.7	-57.4	176.4	-179.6	172.7	-179.8	173	0	112.3	L622 L624 S628 N629 D630	L622-K626 PolarHBondContact O-N 3.26Å; L622-K626 VanDerWaalsContact O-N 3.12Å; L624-K626 PolarHBondContact O-N 3.46Å; K626-S628 PolarHBondContact O-N 3Å; K626-N629 PolarHBondContact O-N 3.2Å; K626-N629 VanDerWaalsContact O-N 3.15Å; K626-D630 VanDerWaalsContact O-CG 3.25Å; K626-D630 PolarHBondContact O-N 3.02Å
627	I	96.5	Very high	96.4	Very high	31 Å²	31	47.8 Å²	47.8	16%	0.159	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-26.8	-177.2	-62.8	-66.3	0	0	0	112.1	Q623 L624 A631 P707 L710	Q623-I627 WeakPolarHBondContact O-CG1 3.25Å; Q623-I627 PolarHBondContact O-N 3.02Å; L624-I627 PolarHBondContact O-N 3.23Å; I627-A631 WeakPolarHBondContact O-CB 3.2Å; I627-A631 PolarHBondContact O-N 3.49Å; I627-P707 HydrophobicContact CD1-CB 4.08Å; I627-L710 HydrophobicContact CB-CB 4.14Å; I627-L710 HydrophobicContact CG1-CB 4.16Å; I627-L710 HydrophobicContact CG1-CD1 4.16Å; I627-L710 HydrophobicContact CG2-CB 3.95Å
628	S	97.1	Very high	96.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.7	-42.2	174.2	79.2	0	0	0	0	112.3	L624 Q625 K626 A631 G632 M633 I635	L624-S628 WeakPolarHBondContact O-CB 3.36Å; L624-S628 PolarHBondContact O-N 3.01Å; L624-S628 PolarHBondContact O-OG 3.26Å; Q625-S628 WeakPolarHBondContact CA-OG 3.26Å; Q625-S628 PolarHBondContact O-N 3.38Å; Q625-S628 PolarHBondContact O-OG 3.43Å; K626-S628 PolarHBondContact O-N 3Å; S628-A631 CarbonylContact O-C 3.59Å; S628-A631 PolarHBondContact O-N 3.1Å; S628-G632 PolarHBondContact O-N 3.09Å; S628-G632 VanDerWaalsContact O-N 3.13Å; S628-M633 CarbonylContact C-O 3.54Å; S628-M633 WeakPolarHBondContact CB-O 3.37Å; S628-M633 CarbonylContact O-C 3.59Å; S628-M633 PolarHBondContact O-N 2.92Å; S628-M633 PolarHBondContact OG-O 3.48Å; S628-I635 WeakPolarHBondContact OG-CG1 3.45Å; S628-I635 PolarHBondContact OG-N 3.45Å
629	N	96.5	Very high	96.4	Very high	97 Å²	97	47.5 Å²	47.5	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-67.8	-44.6	176.5	-167.2	18.3	0	0	0	111.4	Q625 K626 A631 G632	Q625-N629 WeakPolarHBondContact O-CB 3.46Å; Q625-N629 PolarHBondContact O-N 3.35Å; K626-N629 PolarHBondContact O-N 3.2Å; K626-N629 VanDerWaalsContact O-N 3.15Å; N629-A631 PolarHBondContact O-N 3.26Å; N629-G632 PolarHBondContact O-N 2.97Å
630	D	95.1	Very high	96.4	Very high	93 Å²	93	46.1 Å²	46.1	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-54.7	-36.4	173	-66.2	-22.4	0	0	0	111.6	K626	K626-D630 VanDerWaalsContact O-CG 3.25Å; K626-D630 PolarHBondContact O-N 3.02Å
631	A	96.2	Very high	96.3	Very high	7 Å²	7	47.5 Å²	47.5	6%	0.058	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.5	176.7	0	0	0	0	0	114.7	M587 Q591 F592 I627 S628 N629	M587-A631 HydrophobicContact CE-CB 3.89Å; Q591-A631 CarbonylContact C-O 3.46Å; Q591-A631 VanDerWaalsContact CA-O 3.3Å; Q591-A631 WeakPolarHBondContact CA-O 3.48Å; F592-A631 HydrophobicContact CD2-CB 4.45Å; F592-A631 VanDerWaalsContact CD2-O 3.32Å; F592-A631 WeakPolarHBondContact CD2-O 3.21Å; F592-A631 HydrophobicContact CE2-CB 3.93Å; F592-A631 HydrophobicContact CZ-CB 4.05Å; F592-A631 PolarHBondContact N-O 2.88Å; I627-A631 WeakPolarHBondContact O-CB 3.2Å; I627-A631 PolarHBondContact O-N 3.49Å; S628-A631 CarbonylContact O-C 3.59Å; S628-A631 PolarHBondContact O-N 3.1Å; N629-A631 PolarHBondContact O-N 3.26Å
632	G	96.2	Very high	96.2	Very high	18 Å²	18	50 Å²	50	19%	0.186	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	20.7	-179.3	0	0	0	0	0	115.4	G595 S628 N629 P634	G595-G632 WeakPolarHBondContact CA-O 3.41Å; S628-G632 PolarHBondContact O-N 3.09Å; S628-G632 VanDerWaalsContact O-N 3.13Å; N629-G632 PolarHBondContact O-N 2.97Å; G632-P634 VanDerWaalsContact C-CD 3.44Å; G632-P634 WeakPolarHBondContact O-CD 3.35Å
633	M	97.2	Very high	96.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.			trans	-116.1	70.4	171.1	-176.8	-163.1	74.1	0	0	108.4	F592 I596 I598 S628 I635 C714 I717 N718	F592-M633 HydrophobicContact CD2-CB 3.8Å; F592-M633 HydrophobicContact CE2-CB 3.69Å; F592-M633 HydrophobicContact CE2-CG 4.47Å; F592-M633 HydrophobicContact CE2-SD 4.3Å; I596-M633 WeakPolarHBondContact O-CA 3.17Å; I596-M633 WeakPolarHBondContact O-CG 3.35Å; I598-M633 HydrophobicContact CD1-CE 3.91Å; I598-M633 HydrophobicContact CD1-CG 4.02Å; I598-M633 HydrophobicContact CD1-SD 3.91Å; I598-M633 HydrophobicContact CG1-CG 4.45Å; S628-M633 CarbonylContact C-O 3.54Å; S628-M633 WeakPolarHBondContact CB-O 3.37Å; S628-M633 CarbonylContact O-C 3.59Å; S628-M633 PolarHBondContact O-N 2.92Å; S628-M633 PolarHBondContact OG-O 3.48Å; M633-I635 HydrophobicContact CE-CD1 4.34Å; M633-I635 HydrophobicContact CE-CG1 4.47Å; M633-I635 PolarHBondContact O-N 3.25Å; M633-C714 HydrophobicContact CE-CB 3.95Å; M633-I717 HydrophobicContact CE-CB 4.1Å; M633-I717 HydrophobicContact CE-CG2 3.91Å; M633-I717 HydrophobicContact SD-CB 3.94Å; M633-I717 HydrophobicContact SD-CG2 3.68Å; M633-N718 HydrophobicContact CG-CB 4.35Å; M633-N718 HydrophobicContact SD-CB 3.66Å; M633-N718 PolarHBondContact SD-N 3.41Å
634	P	97.3	Very high	96.1	Very high	27 Å²	27	50.3 Å²	50.3	18%	0.175	27%	0.273	C	S	.	.			trans	-63.9	123.1	-170.8	26	-34	0	0	0	111.4	E597 I598 G632 L636	E597-P634 HydrophobicContact CB-CG 4.3Å; E597-P634 HydrophobicContact CG-CG 4.24Å; I598-P634 PolarHBondContact N-O 2.84Å; G632-P634 VanDerWaalsContact C-CD 3.44Å; G632-P634 WeakPolarHBondContact O-CD 3.35Å; P634-L636 HydrophobicContact CB-CD2 4.15Å
635	I	97.8	Very high	96.1	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.067	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-87.6	107.3	166.4	-64	166.7	0	0	0	107.8	I598 W601 L624 Q625 S628 M633	I598-I635 HydrophobicContact CB-CG1 4.1Å; I598-I635 HydrophobicContact CD1-CG1 3.94Å; I598-I635 HydrophobicContact CG1-CG1 4.46Å; I598-I635 HydrophobicContact CG2-CG1 4.49Å; W601-I635 HydrophobicContact CD2-CG2 4.21Å; W601-I635 VanDerWaalsContact CE2-CG2 3.46Å; W601-I635 HydrophobicContact CZ2-CG2 3.7Å; W601-I635 VanDerWaalsContact NE1-CG2 3.34Å; L624-I635 HydrophobicContact CD2-CD1 4.16Å; L624-I635 HydrophobicContact CG-CD1 3.86Å; Q625-I635 HydrophobicContact CG-CB 4.05Å; Q625-I635 HydrophobicContact CG-CG2 3.89Å; S628-I635 WeakPolarHBondContact OG-CG1 3.45Å; S628-I635 PolarHBondContact OG-N 3.45Å; M633-I635 HydrophobicContact CE-CD1 4.34Å; M633-I635 HydrophobicContact CE-CG1 4.47Å; M633-I635 PolarHBondContact O-N 3.25Å
636	L	94.4	Very high	95.8	Very high	77 Å²	77	54.2 Å²	54.2	40%	0.403	30%	0.3	S	S	.	.			trans	-86.7	136.2	179.8	-56.4	-174.4	0	0	0	110.2	E597 I598 K599 P634	E597-L636 HydrophobicContact CG-CD1 3.7Å; E597-L636 HydrophobicContact CG-CG 4.12Å; I598-L636 PolarHBondContact O-N 3.35Å; K599-L636 HydrophobicContact CG-CD1 4.39Å; P634-L636 HydrophobicContact CB-CD2 4.15Å
637	G	90.6	Very high	95.6	Very high	53 Å²	53	49.9 Å²	49.9	55%	0.546	30%	0.295	S	S	.	.	S	Bend	trans	67.3	172.5	176.1	0	0	0	0	0	115.2	W601 Q625	W601-G637 PolarHBondContact NE1-O 3.34Å; Q625-G637 PolarHBondContact NE2-O 3.1Å
638	Q	95.1	Very high	95.4	Very high	122 Å²	122	50.6 Å²	50.6	57%	0.57	30%	0.297	S	S	*	.	S	Bend	trans	-73.7	157.3	168.3	-67.5	-54.9	-42.3	0	0	110.2	C640	Q638-C640 PolarHBondContact O-N 2.85Å
639	P	96.6	Very high	95.2	Very high	21 Å²	21	54.7 Å²	54.7	14%	0.136	32%	0.319	C	S	.	.			trans	-62.1	137.9	179.2	26.5	-34.2	0	0	0	110.7	W601 I603 F641 C642	W601-P639 HydrophobicContact CD2-CB 3.9Å; W601-P639 HydrophobicContact CE3-CB 3.97Å; W601-P639 HydrophobicContact CH2-CB 3.98Å; W601-P639 HydrophobicContact CH2-CG 4.02Å; W601-P639 HydrophobicContact CZ2-CB 3.9Å; W601-P639 HydrophobicContact CZ2-CG 4.08Å; W601-P639 HydrophobicContact CZ3-CB 4.01Å; W601-P639 HydrophobicContact CZ3-CG 4.41Å; W601-P639 CarbonylContact O-C 3.55Å; W601-P639 WeakPolarHBondContact O-CA 3.41Å; W601-P639 WeakPolarHBondContact O-CB 3.42Å; I603-P639 HydrophobicContact CD1-CB 4.47Å; I603-P639 HydrophobicContact CD1-CG 3.93Å; I603-P639 HydrophobicContact CG1-CB 4.12Å; I603-P639 HydrophobicContact CG1-CG 4.09Å; P639-F641 PolarHBondContact O-N 3.14Å; P639-F641 VanDerWaalsContact O-N 3.12Å; P639-C642 HydrophobicContact CG-CB 4.38Å
640	C	96.1	Very high	95.2	Very high	55 Å²	55	54.9 Å²	54.9	37%	0.372	32%	0.317	S	S	.	.	S	Bend	trans	-66.9	-14.1	-178.5	67.8	0	0	0	0	113.3	V600 W601 Q638 H662	V600-C640 HydrophobicContact CG1-CB 4.48Å; W601-C640 PolarHBondContact O-N 3.38Å; W601-C640 PolarHBondContact O-SG 3.37Å; W601-C640 VanDerWaalsContact O-SG 3.36Å; Q638-C640 PolarHBondContact O-N 2.85Å; C640-H662 PolarHBondContact O-CE1 2.94Å; C640-H662 VanDerWaalsContact SG-CG 3.57Å
641	F	96.2	Very high	95.3	Very high	31 Å²	31	50.5 Å²	50.5	14%	0.136	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	133.7	175.5	178.3	-85.6	0	0	0	109.7	A602 I603 P639 K643 M654 Y657 L658	A602-F641 CarbonylContact C-O 3.55Å; A602-F641 WeakPolarHBondContact CA-O 3.28Å; A602-F641 HydrophobicContact CB-CB 4.01Å; A602-F641 HydrophobicContact CB-CD1 4.46Å; I603-F641 PolarHBondContact N-O 3.17Å; P639-F641 PolarHBondContact O-N 3.14Å; P639-F641 VanDerWaalsContact O-N 3.12Å; F641-K643 HydrophobicContact CD1-CB 4.49Å; F641-K643 HydrophobicContact CD1-CG 4.46Å; F641-K643 HydrophobicContact CD2-CG 4.39Å; F641-K643 HydrophobicContact CE1-CB 3.64Å; F641-K643 HydrophobicContact CE1-CG 3.83Å; F641-K643 HydrophobicContact CE2-CB 4.42Å; F641-K643 HydrophobicContact CE2-CG 3.75Å; F641-K643 HydrophobicContact CZ-CB 3.61Å; F641-K643 HydrophobicContact CZ-CG 3.44Å; F641-K643 VanDerWaalsContact CZ-CG 3.44Å; F641-M654 HydrophobicContact CE1-CE 4.16Å; F641-M654 HydrophobicContact CE1-CG 4.25Å; F641-M654 HydrophobicContact CE1-SD 3.93Å; F641-M654 HydrophobicContact CZ-CE 4.09Å; F641-M654 HydrophobicContact CZ-CG 4.26Å; F641-M654 HydrophobicContact CZ-SD 4.3Å; F641-Y657 AromaticContact CD2-CE1 3.9Å; F641-Y657 HydrophobicContact CD2-CE1 3.9Å; F641-Y657 HydrophobicContact CE2-CD1 4.13Å; F641-Y657 AromaticContact CE2-CE1 3.72Å; F641-Y657 HydrophobicContact CE2-CE1 3.72Å; F641-L658 HydrophobicContact CB-CD2 3.65Å; F641-L658 HydrophobicContact CD1-CD1 4.49Å; F641-L658 HydrophobicContact CD1-CD2 3.75Å; F641-L658 HydrophobicContact CD2-CD2 3.98Å; F641-L658 HydrophobicContact CE1-CD2 4.29Å; F641-L658 HydrophobicContact CG-CD2 3.55Å
642	C	95.9	Very high	95.3	Very high	57 Å²	57	52.1 Å²	52.1	39%	0.385	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	111.7	171.3	-171.1	0	0	0	0	108.9	I603 P639	I603-C642 HydrophobicContact CB-CB 4.37Å; I603-C642 WeakPolarHBondContact O-CA 3.25Å; P639-C642 HydrophobicContact CG-CB 4.38Å
643	K	95.8	Very high	95.4	Very high	127 Å²	127	54.4 Å²	54.4	55%	0.552	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.1	178.9	-67.5	-66.2	-179.3	-179.7	0	112.2	I603 C605 F641	I603-K643 PolarHBondContact O-N 3.18Å; C605-K643 PolarHBondContact N-O 2.96Å; F641-K643 HydrophobicContact CD1-CB 4.49Å; F641-K643 HydrophobicContact CD1-CG 4.46Å; F641-K643 HydrophobicContact CD2-CG 4.39Å; F641-K643 HydrophobicContact CE1-CB 3.64Å; F641-K643 HydrophobicContact CE1-CG 3.83Å; F641-K643 HydrophobicContact CE2-CB 4.42Å; F641-K643 HydrophobicContact CE2-CG 3.75Å; F641-K643 HydrophobicContact CZ-CB 3.61Å; F641-K643 HydrophobicContact CZ-CG 3.44Å; F641-K643 VanDerWaalsContact CZ-CG 3.44Å
644	Y	96.8	Very high	95.3	Very high	60 Å²	60	55.5 Å²	55.5	24%	0.235	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	154.6	168.5	-62.7	-86.8	0	0	0	111.4	C605 A607 Q609 V612 E614 L617	C605-Y644 HydrophobicContact CB-CD1 3.63Å; C605-Y644 HydrophobicContact CB-CE1 3.89Å; C605-Y644 HydrophobicContact CB-CG 4.33Å; C605-Y644 CarbonylContact O-C 3.58Å; C605-Y644 VanDerWaalsContact O-CA 3.24Å; C605-Y644 WeakPolarHBondContact O-CA 3.27Å; C605-Y644 VanDerWaalsContact SG-CE1 3.59Å; A607-Y644 WeakPolarHBondContact O-CD1 3.49Å; Q609-Y644 HydrophobicContact CB-CD1 4.21Å; Q609-Y644 HydrophobicContact CB-CE1 3.99Å; Q609-Y644 HydrophobicContact CB-CE2 4.34Å; Q609-Y644 HydrophobicContact CB-CG 4.48Å; Q609-Y644 HydrophobicContact CG-CD2 4.36Å; Q609-Y644 HydrophobicContact CG-CE1 4.14Å; Q609-Y644 HydrophobicContact CG-CE2 3.81Å; V612-Y644 WeakPolarHBondContact O-CE1 3.22Å; V612-Y644 PolarHBondContact O-OH 3.36Å; E614-Y644 HydrophobicContact CG-CE2 3.72Å; E614-Y644 WeakPolarHBondContact CG-OH 3.33Å; E614-Y644 PolarHBondContact N-OH 3.14Å; L617-Y644 HydrophobicContact CD1-CE1 4.2Å; L617-Y644 WeakPolarHBondContact CD1-OH 3.49Å
645	A	95.7	Very high	95.4	Very high	12 Å²	12	54.2 Å²	54.2	10%	0.099	31%	0.308	C	S	.	.			trans	-148.6	165.9	172.2	0	0	0	0	0	110.8	C605 F606 Q650 M654	C605-A645 PolarHBondContact O-N 3.24Å; F606-A645 WeakPolarHBondContact CA-O 3.47Å; F606-A645 HydrophobicContact CD1-CB 3.79Å; F606-A645 HydrophobicContact CE1-CB 3.49Å; F606-A645 VanDerWaalsContact CE1-CB 3.49Å; F606-A645 HydrophobicContact CE2-CB 4.33Å; F606-A645 HydrophobicContact CG-CB 4.33Å; F606-A645 HydrophobicContact CZ-CB 3.77Å; A645-Q650 HydrophobicContact CB-CB 4.21Å; A645-M654 HydrophobicContact CB-CE 3.8Å
646	T	93	Very high	95.3	Very high	102 Å²	102	58.3 Å²	58.3	63%	0.626	32%	0.323	S	S	*	.			trans	-139.4	153.1	177.8	48	0	0	0	0	110.4	Q650	T646-Q650 WeakPolarHBondContact O-CG 3.29Å
647	G	91	Very high	95.5	Very high	45 Å²	45	60.3 Å²	60.3	46%	0.464	33%	0.326	S	S	.	.	S	Bend	trans	71.2	175.1	-174.6	0	0	0	0	0	113.9	F606 V678	F606-G647 WeakPolarHBondContact CD1-O 3.49Å; F606-G647 WeakPolarHBondContact CE1-O 3.32Å; G647-V678 WeakPolarHBondContact O-CG2 3.49Å
648	Q	92.5	Very high	95.8	Very high	45 Å²	45	57.8 Å²	57.8	21%	0.21	30%	0.3	C	S	.	.	S	Bend	trans	-86	-29.4	174.7	63.4	-169.1	-1.6	0	0	111.6	Q650 V651 V678 E681	Q648-Q650 PolarHBondContact O-N 3.3Å; Q648-V651 VanDerWaalsContact O-CB 3.23Å; Q648-V651 WeakPolarHBondContact O-CB 3.44Å; Q648-V651 WeakPolarHBondContact O-CG2 3.4Å; Q648-V651 PolarHBondContact O-N 3.44Å; Q648-V678 HydrophobicContact CB-CG2 4.22Å; Q648-E681 HydrophobicContact CB-CB 4.17Å; Q648-E681 HydrophobicContact CB-CG 4.31Å
649	D	94.4	Very high	95.8	Very high	87 Å²	87	55.4 Å²	55.4	47%	0.465	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16	-169.1	-49.1	-75.5	0	0	0	112.9	V651 P653 K970	D649-V651 VanDerWaalsContact C-N 3.34Å; D649-P653 WeakPolarHBondContact O-CD 3.43Å; D649-K970 IonicContact OD1-NZ 3.05Å; D649-K970 PolarHBondContact OD1-NZ 2.83Å
650	Q	95.7	Very high	95.8	Very high	101 Å²	101	60.5 Å²	60.5	47%	0.472	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13	170.4	-64.7	-61	-36	0	0	113.9	F606 A645 T646 Q648 M654	F606-Q650 HydrophobicContact CE1-CB 4.28Å; A645-Q650 HydrophobicContact CB-CB 4.21Å; T646-Q650 WeakPolarHBondContact O-CG 3.29Å; Q648-Q650 PolarHBondContact O-N 3.3Å; Q650-M654 WeakPolarHBondContact O-CB 3.38Å; Q650-M654 PolarHBondContact O-N 3.36Å
651	V	96.8	Very high	95.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-48.3	-179.4	175.9	0	0	0	0	111.4	F606 Q648 D649 F655 V678 E681 V682 V685	F606-V651 HydrophobicContact CE1-CG2 3.68Å; F606-V651 HydrophobicContact CE2-CG2 4.28Å; F606-V651 HydrophobicContact CZ-CB 4.32Å; F606-V651 HydrophobicContact CZ-CG2 3.5Å; Q648-V651 VanDerWaalsContact O-CB 3.23Å; Q648-V651 WeakPolarHBondContact O-CB 3.44Å; Q648-V651 WeakPolarHBondContact O-CG2 3.4Å; Q648-V651 PolarHBondContact O-N 3.44Å; D649-V651 VanDerWaalsContact C-N 3.34Å; V651-F655 HydrophobicContact CG1-CD1 4.45Å; V651-F655 HydrophobicContact CG1-CD2 4.34Å; V651-F655 HydrophobicContact CG1-CE1 4.28Å; V651-F655 HydrophobicContact CG1-CE2 4.13Å; V651-F655 HydrophobicContact CG1-CG 4.48Å; V651-F655 HydrophobicContact CG1-CZ 4.11Å; V651-F655 WeakPolarHBondContact O-CB 3.19Å; V651-F655 WeakPolarHBondContact O-CD1 3.38Å; V651-F655 WeakPolarHBondContact O-CG 3.49Å; V651-F655 PolarHBondContact O-N 2.95Å; V651-V678 HydrophobicContact CG2-CG1 3.91Å; V651-E681 HydrophobicContact CB-CG 3.85Å; V651-E681 HydrophobicContact CG1-CG 4.13Å; V651-E681 HydrophobicContact CG2-CB 4.43Å; V651-E681 HydrophobicContact CG2-CG 4.12Å; V651-V682 HydrophobicContact CG1-CB 4.42Å; V651-V682 HydrophobicContact CG1-CG2 3.75Å; V651-V682 HydrophobicContact CG2-CG2 3.84Å; V651-V685 HydrophobicContact CG1-CB 4.03Å; V651-V685 HydrophobicContact CG1-CG1 4.31Å; V651-V685 HydrophobicContact CG1-CG2 4Å
652	E	96.5	Very high	95.8	Very high	41 Å²	41	61.5 Å²	61.5	19%	0.192	32%	0.318	C	S	.	.	H	α-helix	trans	-70.4	-46.4	-174.5	-160.9	-167.2	110.5	0	0	113.3	M654 F655 R656 R684 V685 M689 F690	E652-M654 VanDerWaalsContact C-N 3.35Å; E652-M654 PolarHBondContact O-N 3.03Å; E652-F655 PolarHBondContact O-N 3.01Å; E652-R656 VanDerWaalsContact O-CB 3.28Å; E652-R656 WeakPolarHBondContact O-CB 3.44Å; E652-R656 PolarHBondContact O-N 3.45Å; E652-R656 IonicContact OE1-CZ 3.81Å; E652-R656 VanDerWaalsContact OE1-CZ 3.31Å; E652-R656 IonicContact OE1-NH1 2.79Å; E652-R656 PolarHBondContact OE1-NH1 3.13Å; E652-R656 IonicContact OE1-NH2 2.8Å; E652-R656 PolarHBondContact OE1-NH2 3.05Å; E652-R684 IonicContact OE2-CZ 2.81Å; E652-R684 IonicContact OE2-NH1 3.19Å; E652-R684 IonicContact OE2-NH2 2.7Å; E652-R684 PolarHBondContact OE2-NH2 3.02Å; E652-V685 HydrophobicContact CB-CG1 4.32Å; E652-V685 HydrophobicContact CB-CG2 3.89Å; E652-V685 HydrophobicContact CG-CG1 4.1Å; E652-V685 HydrophobicContact CG-CG2 4.02Å; E652-M689 VanDerWaalsContact CD-CE 3.41Å; E652-M689 HydrophobicContact CG-CE 3.91Å; E652-M689 HydrophobicContact CG-SD 3.95Å; E652-M689 WeakPolarHBondContact OE2-CE 3.3Å; E652-F690 HydrophobicContact CG-CE2 3.99Å; E652-F690 HydrophobicContact CG-CZ 4.06Å
653	P	97.2	Very high	95.6	Very high	66 Å²	66	63.2 Å²	63.2	43%	0.429	34%	0.337	S	S	.	.	H	α-helix	trans	-59.3	-43.5	173.1	-23.5	35.1	0	0	0	112.4	D649 R656 Y657	D649-P653 WeakPolarHBondContact O-CD 3.43Å; P653-R656 PolarHBondContact O-N 3.45Å; P653-Y657 WeakPolarHBondContact O-CB 3.36Å; P653-Y657 PolarHBondContact O-N 2.95Å
654	M	97	Very high	95.5	Very high	23 Å²	23	60.1 Å²	60.1	11%	0.113	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-43.2	178.9	-177.5	175.4	-72.2	0	0	112	A604 F641 A645 Q650 E652 Y657 L658	A604-M654 HydrophobicContact CB-SD 3.58Å; A604-M654 VanDerWaalsContact CB-SD 3.58Å; F641-M654 HydrophobicContact CE1-CE 4.16Å; F641-M654 HydrophobicContact CE1-CG 4.25Å; F641-M654 HydrophobicContact CE1-SD 3.93Å; F641-M654 HydrophobicContact CZ-CE 4.09Å; F641-M654 HydrophobicContact CZ-CG 4.26Å; F641-M654 HydrophobicContact CZ-SD 4.3Å; A645-M654 HydrophobicContact CB-CE 3.8Å; Q650-M654 WeakPolarHBondContact O-CB 3.38Å; Q650-M654 PolarHBondContact O-N 3.36Å; E652-M654 VanDerWaalsContact C-N 3.35Å; E652-M654 PolarHBondContact O-N 3.03Å; M654-Y657 PolarHBondContact O-N 3.13Å; M654-L658 HydrophobicContact CG-CD1 3.98Å; M654-L658 HydrophobicContact CG-CG 4.41Å; M654-L658 WeakPolarHBondContact O-CB 3.19Å; M654-L658 VanDerWaalsContact O-CG 3.23Å; M654-L658 WeakPolarHBondContact O-CG 3.48Å; M654-L658 PolarHBondContact O-N 2.93Å
655	F	97.5	Very high	95.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-73	-32.7	-179.6	-75.6	21.4	0	0	0	112	V651 E652 L658 K659 I668 V670 V682 V685 F690 L692 T694	V651-F655 HydrophobicContact CG1-CD1 4.45Å; V651-F655 HydrophobicContact CG1-CD2 4.34Å; V651-F655 HydrophobicContact CG1-CE1 4.28Å; V651-F655 HydrophobicContact CG1-CE2 4.13Å; V651-F655 HydrophobicContact CG1-CG 4.48Å; V651-F655 HydrophobicContact CG1-CZ 4.11Å; V651-F655 WeakPolarHBondContact O-CB 3.19Å; V651-F655 WeakPolarHBondContact O-CD1 3.38Å; V651-F655 WeakPolarHBondContact O-CG 3.49Å; V651-F655 PolarHBondContact O-N 2.95Å; E652-F655 PolarHBondContact O-N 3.01Å; F655-L658 HydrophobicContact CD1-CD1 4.36Å; F655-L658 PolarHBondContact O-N 2.99Å; F655-K659 PolarHBondContact O-N 3.03Å; F655-I668 HydrophobicContact CD1-CD1 3.86Å; F655-I668 HydrophobicContact CD2-CD1 4.19Å; F655-I668 HydrophobicContact CE1-CD1 3.99Å; F655-I668 HydrophobicContact CE1-CG2 4.02Å; F655-I668 HydrophobicContact CE2-CD1 4.35Å; F655-I668 HydrophobicContact CG-CD1 3.97Å; F655-I668 HydrophobicContact CZ-CD1 4.24Å; F655-I668 HydrophobicContact CZ-CG2 4.25Å; F655-V670 HydrophobicContact CZ-CG2 4.04Å; F655-V682 HydrophobicContact CE2-CG1 4.3Å; F655-V682 HydrophobicContact CZ-CG1 4.08Å; F655-V682 HydrophobicContact CZ-CG2 4.19Å; F655-V685 HydrophobicContact CB-CG1 3.76Å; F655-V685 HydrophobicContact CD2-CB 4.21Å; F655-V685 HydrophobicContact CD2-CG1 3.59Å; F655-V685 HydrophobicContact CE2-CG1 4.47Å; F655-V685 HydrophobicContact CG-CG1 3.99Å; F655-F690 HydrophobicContact CB-CD2 3.8Å; F655-F690 HydrophobicContact CB-CE2 4Å; F655-L692 HydrophobicContact CB-CD1 4.04Å; F655-L692 HydrophobicContact CD2-CD1 4.29Å; F655-L692 HydrophobicContact CG-CD1 4.39Å; F655-T694 HydrophobicContact CD2-CG2 4.5Å; F655-T694 HydrophobicContact CE2-CG2 3.58Å; F655-T694 HydrophobicContact CZ-CG2 3.97Å
656	R	97.2	Very high	95.6	Very high	100 Å²	100	60.4 Å²	60.4	38%	0.377	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-47.8	171.2	-176.8	179.7	-77.5	109.1	-2.2	111.1	E652 P653 N660 F690	E652-R656 VanDerWaalsContact O-CB 3.28Å; E652-R656 WeakPolarHBondContact O-CB 3.44Å; E652-R656 PolarHBondContact O-N 3.45Å; E652-R656 IonicContact OE1-CZ 3.81Å; E652-R656 VanDerWaalsContact OE1-CZ 3.31Å; E652-R656 IonicContact OE1-NH1 2.79Å; E652-R656 PolarHBondContact OE1-NH1 3.13Å; E652-R656 IonicContact OE1-NH2 2.8Å; E652-R656 PolarHBondContact OE1-NH2 3.05Å; P653-R656 PolarHBondContact O-N 3.45Å; R656-N660 WeakPolarHBondContact O-CB 3.35Å; R656-N660 VanDerWaalsContact O-CG 3.22Å; R656-N660 PolarHBondContact O-N 2.82Å; R656-N660 VanDerWaalsContact O-N 3.17Å; R656-N660 PolarHBondContact O-OD1 2.97Å; R656-F690 HydrophobicContact CB-CE2 4.02Å; R656-F690 HydrophobicContact CB-CZ 3.78Å; R656-F690 HydrophobicContact CG-CZ 4.33Å
657	Y	97.1	Very high	95.8	Very high	119 Å²	119	55.6 Å²	55.6	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-57.5	-51.8	172.5	173.2	-94.2	0	0	0	111.3	F641 P653 M654 K659 N660 T661	F641-Y657 AromaticContact CD2-CE1 3.9Å; F641-Y657 HydrophobicContact CD2-CE1 3.9Å; F641-Y657 HydrophobicContact CE2-CD1 4.13Å; F641-Y657 AromaticContact CE2-CE1 3.72Å; F641-Y657 HydrophobicContact CE2-CE1 3.72Å; P653-Y657 WeakPolarHBondContact O-CB 3.36Å; P653-Y657 PolarHBondContact O-N 2.95Å; M654-Y657 PolarHBondContact O-N 3.13Å; Y657-K659 PolarHBondContact O-N 2.96Å; Y657-N660 PolarHBondContact O-N 3.04Å; Y657-N660 VanDerWaalsContact O-N 3.14Å; Y657-T661 HydrophobicContact CE1-CG2 4.45Å; Y657-T661 HydrophobicContact CE2-CG2 4.35Å; Y657-T661 WeakPolarHBondContact CE2-OG1 3.42Å; Y657-T661 WeakPolarHBondContact O-CB 3.32Å; Y657-T661 PolarHBondContact O-N 2.93Å; Y657-T661 PolarHBondContact O-OG1 3.22Å
658	L	97	Very high	96.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-41.9	-178.5	-75.8	172.5	0	0	0	113.3	A602 F641 M654 F655 H662 L665 I668	A602-L658 HydrophobicContact CB-CD1 4.24Å; A602-L658 HydrophobicContact CB-CD2 3.88Å; F641-L658 HydrophobicContact CB-CD2 3.65Å; F641-L658 HydrophobicContact CD1-CD1 4.49Å; F641-L658 HydrophobicContact CD1-CD2 3.75Å; F641-L658 HydrophobicContact CD2-CD2 3.98Å; F641-L658 HydrophobicContact CE1-CD2 4.29Å; F641-L658 HydrophobicContact CG-CD2 3.55Å; M654-L658 HydrophobicContact CG-CD1 3.98Å; M654-L658 HydrophobicContact CG-CG 4.41Å; M654-L658 WeakPolarHBondContact O-CB 3.19Å; M654-L658 VanDerWaalsContact O-CG 3.23Å; M654-L658 WeakPolarHBondContact O-CG 3.48Å; M654-L658 PolarHBondContact O-N 2.93Å; F655-L658 HydrophobicContact CD1-CD1 4.36Å; F655-L658 PolarHBondContact O-N 2.99Å; L658-H662 PolarHBondContact O-N 2.95Å; L658-L665 HydrophobicContact CB-CD2 3.79Å; L658-I668 HydrophobicContact CB-CD1 4.38Å; L658-I668 HydrophobicContact CD1-CD1 3.69Å; L658-I668 HydrophobicContact CD1-CG1 4.2Å; L658-I668 HydrophobicContact CD1-CG2 4.39Å
659	K	95.3	Very high	96.4	Very high	72 Å²	72	51.4 Å²	51.4	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-66.8	-36.4	176.8	-173.3	164.7	-172.6	167.2	0	112.3	F655 Y657 F690 L692 E1001	F655-K659 PolarHBondContact O-N 3.03Å; Y657-K659 PolarHBondContact O-N 2.96Å; K659-F690 HydrophobicContact CD-CB 4.16Å; K659-F690 PolarHBondContact NZ-O 2.97Å; K659-L692 HydrophobicContact CB-CD1 4.28Å; K659-L692 HydrophobicContact CB-CD2 4.29Å; K659-L692 HydrophobicContact CD-CD2 4.21Å; K659-L692 HydrophobicContact CG-CD2 4.31Å; K659-E1001 IonicContact NZ-OE1 3.74Å; K659-E1001 IonicContact NZ-OE2 2.68Å; K659-E1001 PolarHBondContact NZ-OE2 3.31Å
660	N	96.3	Very high	96.6	Very high	128 Å²	128	47.2 Å²	47.2	68%	0.684	26%	0.26	S	S	*	.	H	α-helix	trans	-83.3	-35	-175.6	-67.3	6.5	0	0	0	112.9	R656 Y657	R656-N660 WeakPolarHBondContact O-CB 3.35Å; R656-N660 VanDerWaalsContact O-CG 3.22Å; R656-N660 PolarHBondContact O-N 2.82Å; R656-N660 VanDerWaalsContact O-N 3.17Å; R656-N660 PolarHBondContact O-OD1 2.97Å; Y657-N660 PolarHBondContact O-N 3.04Å; Y657-N660 VanDerWaalsContact O-N 3.14Å
661	T	96.8	Very high	96.8	Very high	72 Å²	72	42.4 Å²	42.4	44%	0.442	24%	0.237	S	C	.	.	H	α-helix	trans	-88.8	-29.7	-175.1	-59.4	0	0	0	0	113.4	Y657	Y657-T661 HydrophobicContact CE1-CG2 4.45Å; Y657-T661 HydrophobicContact CE2-CG2 4.35Å; Y657-T661 WeakPolarHBondContact CE2-OG1 3.42Å; Y657-T661 WeakPolarHBondContact O-CB 3.32Å; Y657-T661 PolarHBondContact O-N 2.93Å; Y657-T661 PolarHBondContact O-OG1 3.22Å
662	H	95.3	Very high	96.8	Very high	34 Å²	34	42.7 Å²	42.7	16%	0.157	24%	0.239	C	C	.	.	S	Bend	trans	-112.2	87.2	-177.4	-57.1	-65.3	0	0	0	111.5	V600 C640 L658 G664 L665	V600-H662 HydrophobicContact CG1-CB 4.15Å; C640-H662 PolarHBondContact O-CE1 2.94Å; C640-H662 VanDerWaalsContact SG-CG 3.57Å; L658-H662 PolarHBondContact O-N 2.95Å; H662-G664 PolarHBondContact O-N 3.35Å; H662-L665 HydrophobicContact CB-CB 4.22Å; H662-L665 VanDerWaalsContact O-CB 3.29Å; H662-L665 WeakPolarHBondContact O-CB 3.27Å; H662-L665 PolarHBondContact O-N 3.06Å; H662-L665 VanDerWaalsContact O-N 3.11Å
663	A	93.2	Very high	96.7	Very high	94 Å²	94	43.3 Å²	43.3	78%	0.777	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	131.3	172.9	0	0	0	0	0	111.1
664	G	93.4	Very high	96.5	Very high	62 Å²	62	41.4 Å²	41.4	64%	0.639	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	13.4	-178.3	0	0	0	0	0	115.8	H662 Q666	H662-G664 PolarHBondContact O-N 3.35Å; G664-Q666 PolarHBondContact O-N 2.72Å; G664-Q666 VanDerWaalsContact O-N 3.12Å
665	L	96.9	Very high	96.1	Very high	24 Å²	24	48.3 Å²	48.3	13%	0.126	27%	0.268	C	S	.	.			trans	-52.2	114.3	175.5	177.2	64.2	0	0	0	112.6	V600 A602 L658 H662 I668 L692	V600-L665 HydrophobicContact CG1-CB 4.28Å; V600-L665 HydrophobicContact CG1-CD1 4.24Å; A602-L665 HydrophobicContact CB-CD1 4.23Å; L658-L665 HydrophobicContact CB-CD2 3.79Å; H662-L665 HydrophobicContact CB-CB 4.22Å; H662-L665 VanDerWaalsContact O-CB 3.29Å; H662-L665 WeakPolarHBondContact O-CB 3.27Å; H662-L665 PolarHBondContact O-N 3.06Å; H662-L665 VanDerWaalsContact O-N 3.11Å; L665-I668 HydrophobicContact CD2-CD1 4.23Å; L665-I668 HydrophobicContact CD2-CG1 4.09Å; L665-L692 HydrophobicContact CD2-CD2 4.47Å
666	Q	96.8	Very high	95.9	Very high	53 Å²	53	50 Å²	50	25%	0.248	28%	0.278	C	S	.	.			trans	-90.1	-39	-177.3	-66.2	168.2	-86	0	0	112.9	E597 V600 G664 A693 L721	E597-Q666 PolarHBondContact O-NE2 3.18Å; V600-Q666 PolarHBondContact O-N 3.19Å; G664-Q666 PolarHBondContact O-N 2.72Å; G664-Q666 VanDerWaalsContact O-N 3.12Å; Q666-A693 WeakPolarHBondContact O-CB 3.15Å; Q666-L721 HydrophobicContact CB-CD2 4.27Å; Q666-L721 WeakPolarHBondContact O-CD2 3.45Å
667	L	98	Very high	95.6	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	134.9	-167.7	-179.2	69.5	0	0	0	112.9	I598 W601 A602 V669 Q695 I717	I598-L667 HydrophobicContact CD1-CD2 4.46Å; W601-L667 CarbonylContact C-O 3.59Å; W601-L667 VanDerWaalsContact CA-O 3.27Å; W601-L667 WeakPolarHBondContact CA-O 3.42Å; W601-L667 HydrophobicContact CB-CB 4.15Å; A602-L667 PolarHBondContact N-O 2.83Å; L667-V669 HydrophobicContact CD2-CG2 3.82Å; L667-V669 HydrophobicContact CG-CG2 4.14Å; L667-Q695 HydrophobicContact CD1-CB 4.12Å; L667-I717 HydrophobicContact CD1-CG2 4.39Å; L667-I717 HydrophobicContact CD2-CD1 4.21Å; L667-I717 HydrophobicContact CD2-CG1 4.3Å; L667-I717 HydrophobicContact CD2-CG2 3.69Å
668	I	98.4	Very high	95.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.9	163.2	-52.4	174.7	0	0	0	109.5	A604 F655 L658 L665 V670 L692 A693 T694 Q695	A604-I668 HydrophobicContact CB-CG2 4.26Å; F655-I668 HydrophobicContact CD1-CD1 3.86Å; F655-I668 HydrophobicContact CD2-CD1 4.19Å; F655-I668 HydrophobicContact CE1-CD1 3.99Å; F655-I668 HydrophobicContact CE1-CG2 4.02Å; F655-I668 HydrophobicContact CE2-CD1 4.35Å; F655-I668 HydrophobicContact CG-CD1 3.97Å; F655-I668 HydrophobicContact CZ-CD1 4.24Å; F655-I668 HydrophobicContact CZ-CG2 4.25Å; L658-I668 HydrophobicContact CB-CD1 4.38Å; L658-I668 HydrophobicContact CD1-CD1 3.69Å; L658-I668 HydrophobicContact CD1-CG1 4.2Å; L658-I668 HydrophobicContact CD1-CG2 4.39Å; L665-I668 HydrophobicContact CD2-CD1 4.23Å; L665-I668 HydrophobicContact CD2-CG1 4.09Å; I668-V670 HydrophobicContact CG2-CG2 3.83Å; I668-L692 HydrophobicContact CD1-CB 4.48Å; I668-L692 HydrophobicContact CD1-CD1 3.92Å; I668-A693 PolarHBondContact N-O 3.03Å; I668-T694 HydrophobicContact CB-CG2 4.28Å; I668-T694 WeakPolarHBondContact O-CA 3.45Å; I668-Q695 PolarHBondContact O-N 3.18Å
669	V	98.5	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123	170.2	-178.7	0	0	0	0	108.5	W601 A602 I603 A604 F620 L667 Q695 V697	W601-V669 HydrophobicContact CE3-CG2 4.1Å; W601-V669 HydrophobicContact CZ3-CG2 4.17Å; A602-V669 PolarHBondContact O-N 2.71Å; I603-V669 WeakPolarHBondContact CA-O 3.36Å; I603-V669 HydrophobicContact CG1-CB 4.42Å; A604-V669 PolarHBondContact N-O 3.24Å; F620-V669 HydrophobicContact CE1-CG1 4.21Å; F620-V669 HydrophobicContact CZ-CG1 4.43Å; L667-V669 HydrophobicContact CD2-CG2 3.82Å; L667-V669 HydrophobicContact CG-CG2 4.14Å; V669-Q695 WeakPolarHBondContact CA-O 3.36Å; V669-V697 HydrophobicContact CG1-CG2 4.16Å
670	V	98.5	Very high	95.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.6	-172.9	-171.3	0	0	0	0	110.7	A604 F606 F655 I668 L672 V682 Q695 C696 V697	A604-V670 CarbonylContact O-C 3.53Å; A604-V670 WeakPolarHBondContact O-CA 2.98Å; F606-V670 HydrophobicContact CD2-CG1 3.7Å; F606-V670 HydrophobicContact CE2-CG1 4.02Å; F655-V670 HydrophobicContact CZ-CG2 4.04Å; I668-V670 HydrophobicContact CG2-CG2 3.83Å; V670-L672 HydrophobicContact CG1-CD2 3.85Å; V670-L672 HydrophobicContact CG1-CG 4.4Å; V670-V682 HydrophobicContact CB-CG1 4.49Å; V670-V682 HydrophobicContact CG1-CG2 4.07Å; V670-V682 HydrophobicContact CG2-CG1 4.01Å; V670-Q695 PolarHBondContact N-O 2.84Å; V670-C696 CarbonylContact O-C 3.52Å; V670-C696 WeakPolarHBondContact O-CA 3.46Å; V670-V697 PolarHBondContact O-N 3.01Å
671	V	98.4	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.4	178.3	-174.8	0	0	0	0	109.6	I603 A604 C605 F606 A607 V612 L617 V697 V702	I603-V671 HydrophobicContact CG2-CG2 4.48Å; A604-V671 PolarHBondContact O-N 2.92Å; C605-V671 HydrophobicContact CB-CB 4.38Å; F606-V671 WeakPolarHBondContact CA-O 3.24Å; F606-V671 PolarHBondContact N-O 3.36Å; A607-V671 HydrophobicContact CB-CG1 4.29Å; V612-V671 HydrophobicContact CG2-CG1 4.28Å; L617-V671 HydrophobicContact CD2-CG2 4.02Å; V671-V697 CarbonylContact C-O 3.49Å; V671-V697 WeakPolarHBondContact CA-O 3.47Å; V671-V702 HydrophobicContact CG1-CG2 3.84Å; V671-V702 HydrophobicContact CG2-CG2 3.95Å
672	L	97.7	Very high	95.5	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.1	-176.4	-60.1	-180	0	0	0	111.1	F606 V670 G674 T676 V678 Y679 C696 V697 Q698 S699	F606-L672 HydrophobicContact CB-CD2 4.13Å; V670-L672 HydrophobicContact CG1-CD2 3.85Å; V670-L672 HydrophobicContact CG1-CG 4.4Å; L672-G674 PolarHBondContact O-N 2.95Å; L672-T676 HydrophobicContact CB-CG2 4.22Å; L672-T676 HydrophobicContact CD1-CG2 4.4Å; L672-T676 HydrophobicContact CD2-CG2 4.26Å; L672-V678 HydrophobicContact CD2-CB 4.25Å; L672-V678 HydrophobicContact CD2-CG1 3.73Å; L672-Y679 HydrophobicContact CD1-CD2 3.85Å; L672-Y679 HydrophobicContact CD1-CG 4.42Å; L672-C696 HydrophobicContact CD1-CB 3.93Å; L672-C696 HydrophobicContact CG-CB 4.49Å; L672-V697 PolarHBondContact N-O 2.86Å; L672-Q698 CarbonylContact O-C 3.53Å; L672-Q698 WeakPolarHBondContact O-CA 3.37Å; L672-S699 PolarHBondContact O-N 3.08Å
673	P	94.8	Very high	95.6	Very high	53 Å²	53	33.6 Å²	33.6	34%	0.344	21%	0.209	S	C	.	.			trans	-70.8	-14.8	-176.6	27.3	-33.7	0	0	0	113.9	F606 A607 S699	F606-P673 WeakPolarHBondContact O-CD 3.31Å; A607-P673 HydrophobicContact CB-CB 4.2Å; P673-S699 PolarHBondContact O-OG 3.11Å
674	G	92.3	Very high	95.6	Very high	26 Å²	26	32.3 Å²	32.3	27%	0.268	18%	0.184	S	C	.	.	S	Bend	trans	162.1	-129.4	-177.2	0	0	0	0	0	111.9	L672	L672-G674 PolarHBondContact O-N 2.95Å
675	K	88.9	Confident	95.7	Very high	169 Å²	169	29.3 Å²	29.3	74%	0.735	15%	0.154	S	C	*	.	S	Bend	trans	-86.2	116.9	170.5	-168.8	180	-172.5	177.7	0	107.7	D508	D508-K675 VanDerWaalsContact CG-NZ 3.26Å; D508-K675 IonicContact OD1-NZ 3.85Å; D508-K675 PolarHBondContact OD1-NZ 2.93Å; D508-K675 VanDerWaalsContact OD1-NZ 3.08Å; D508-K675 IonicContact OD2-NZ 2.87Å; D508-K675 PolarHBondContact OD2-NZ 2.84Å
676	T	92.2	Very high	95.7	Very high	35 Å²	35	28.2 Å²	28.2	22%	0.215	15%	0.148	C	C	.	.			trans	-153.1	144.6	-171.5	170.9	0	0	0	0	110.7	L672 V678 Y679	L672-T676 HydrophobicContact CB-CG2 4.22Å; L672-T676 HydrophobicContact CD1-CG2 4.4Å; L672-T676 HydrophobicContact CD2-CG2 4.26Å; T676-V678 HydrophobicContact CG2-CB 4.01Å; T676-V678 PolarHBondContact O-N 3.5Å; T676-V678 VanDerWaalsContact OG1-CG2 3.3Å; T676-V678 WeakPolarHBondContact OG1-CG2 3.47Å; T676-V678 PolarHBondContact OG1-N 2.97Å; T676-Y679 PolarHBondContact O-N 2.85Å
677	P	92.3	Very high	95.7	Very high	83 Å²	83	25.9 Å²	25.9	54%	0.539	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.6	175.7	27	-36.3	0	0	0	112.9	Y679 A680 E681	P677-Y679 PolarHBondContact O-N 3.47Å; P677-A680 WeakPolarHBondContact O-CB 3.26Å; P677-A680 PolarHBondContact O-N 3.4Å; P677-E681 PolarHBondContact O-N 2.95Å
678	V	95.8	Very high	95.5	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-49.7	-31.5	172.9	-179.7	0	0	0	0	112.4	F606 G647 Q648 V651 L672 T676 A680 E681 V682	F606-V678 HydrophobicContact CB-CG1 4.14Å; F606-V678 HydrophobicContact CD1-CG1 3.73Å; F606-V678 HydrophobicContact CD1-CG2 4.43Å; F606-V678 HydrophobicContact CD2-CG1 4.17Å; F606-V678 HydrophobicContact CE1-CG1 4.14Å; F606-V678 HydrophobicContact CG-CG1 3.74Å; G647-V678 WeakPolarHBondContact O-CG2 3.49Å; Q648-V678 HydrophobicContact CB-CG2 4.22Å; V651-V678 HydrophobicContact CG2-CG1 3.91Å; L672-V678 HydrophobicContact CD2-CB 4.25Å; L672-V678 HydrophobicContact CD2-CG1 3.73Å; T676-V678 HydrophobicContact CG2-CB 4.01Å; T676-V678 PolarHBondContact O-N 3.5Å; T676-V678 VanDerWaalsContact OG1-CG2 3.3Å; T676-V678 WeakPolarHBondContact OG1-CG2 3.47Å; T676-V678 PolarHBondContact OG1-N 2.97Å; V678-A680 PolarHBondContact O-N 3.18Å; V678-E681 PolarHBondContact O-N 3.02Å; V678-V682 HydrophobicContact CG1-CG2 4.03Å; V678-V682 WeakPolarHBondContact O-CB 3.18Å; V678-V682 WeakPolarHBondContact O-CG2 3.33Å; V678-V682 PolarHBondContact O-N 2.79Å
679	Y	96.1	Very high	95.3	Very high	67 Å²	67	30 Å²	30	26%	0.263	16%	0.157	S	C	.	.	H	α-helix	trans	-61.9	-41.9	175.2	179.9	-92	0	0	0	112.8	L672 T676 P677 K683 C696 Y965	L672-Y679 HydrophobicContact CD1-CD2 3.85Å; L672-Y679 HydrophobicContact CD1-CG 4.42Å; T676-Y679 PolarHBondContact O-N 2.85Å; P677-Y679 PolarHBondContact O-N 3.47Å; Y679-K683 HydrophobicContact CE1-CG 4.19Å; Y679-K683 WeakPolarHBondContact O-CG 3.36Å; Y679-K683 PolarHBondContact O-N 3.1Å; Y679-C696 HydrophobicContact CD2-CB 4.16Å; Y679-C696 HydrophobicContact CE2-CB 4.13Å; Y679-Y965 AromaticContact CD1-CD1 3.93Å; Y679-Y965 HydrophobicContact CD1-CD1 3.93Å; Y679-Y965 AromaticContact CD1-CE1 3.79Å; Y679-Y965 HydrophobicContact CD1-CE1 3.79Å; Y679-Y965 HydrophobicContact CD1-CE2 4.48Å; Y679-Y965 HydrophobicContact CD1-CG 4.34Å; Y679-Y965 HydrophobicContact CE1-CD1 4.14Å; Y679-Y965 AromaticContact CE1-CD2 4Å; Y679-Y965 HydrophobicContact CE1-CD2 4Å; Y679-Y965 HydrophobicContact CE1-CE1 4.07Å; Y679-Y965 AromaticContact CE1-CE2 3.93Å; Y679-Y965 HydrophobicContact CE1-CE2 3.93Å; Y679-Y965 HydrophobicContact CE1-CG 4.1Å; Y679-Y965 AromaticContact CE1-CZ 3.96Å
680	A	95	Very high	95.1	Very high	11 Å²	11	31.3 Å²	31.3	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-46.4	179.2	0	0	0	0	0	110.4	P677 V678 V682 K683 R684 Y965 V968	P677-A680 WeakPolarHBondContact O-CB 3.26Å; P677-A680 PolarHBondContact O-N 3.4Å; V678-A680 PolarHBondContact O-N 3.18Å; A680-V682 PolarHBondContact O-N 3.29Å; A680-K683 CarbonylContact O-C 3.52Å; A680-K683 WeakPolarHBondContact O-CA 3.45Å; A680-K683 PolarHBondContact O-N 3.32Å; A680-R684 PolarHBondContact O-N 2.76Å; A680-Y965 HydrophobicContact CB-CD1 4.12Å; A680-V968 HydrophobicContact CB-CB 4.31Å; A680-V968 HydrophobicContact CB-CG1 4.48Å
681	E	96	Very high	94.9	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-43	179.4	-172.4	71.4	156.5	0	0	112	Q648 V651 P677 V678 K683 R684 V685 K970	Q648-E681 HydrophobicContact CB-CB 4.17Å; Q648-E681 HydrophobicContact CB-CG 4.31Å; V651-E681 HydrophobicContact CB-CG 3.85Å; V651-E681 HydrophobicContact CG1-CG 4.13Å; V651-E681 HydrophobicContact CG2-CB 4.43Å; V651-E681 HydrophobicContact CG2-CG 4.12Å; P677-E681 PolarHBondContact O-N 2.95Å; V678-E681 PolarHBondContact O-N 3.02Å; E681-K683 PolarHBondContact O-N 2.8Å; E681-K683 VanDerWaalsContact O-N 3.14Å; E681-R684 VanDerWaalsContact CD-NH2 3.34Å; E681-R684 PolarHBondContact O-N 3.1Å; E681-R684 VanDerWaalsContact O-N 3.15Å; E681-R684 IonicContact OE1-CZ 3.47Å; E681-R684 IonicContact OE1-NE 2.69Å; E681-R684 IonicContact OE1-NH2 2.93Å; E681-R684 PolarHBondContact OE1-NH2 3.45Å; E681-R684 IonicContact OE2-CZ 3.25Å; E681-R684 IonicContact OE2-NE 2.64Å; E681-R684 PolarHBondContact OE2-NE 2.76Å; E681-R684 IonicContact OE2-NH2 3.96Å; E681-R684 PolarHBondContact OE2-NH2 3.31Å; E681-V685 HydrophobicContact CG-CG2 4.07Å; E681-V685 WeakPolarHBondContact O-CB 3.37Å; E681-V685 VanDerWaalsContact O-CG2 3.31Å; E681-V685 WeakPolarHBondContact O-CG2 3.36Å; E681-V685 PolarHBondContact O-N 3.47Å; E681-K970 WeakPolarHBondContact OE1-CE 3.47Å; E681-K970 IonicContact OE1-NZ 3.92Å; E681-K970 PolarHBondContact OE1-NZ 2.99Å; E681-K970 VanDerWaalsContact OE1-NZ 3.07Å
682	V	97.1	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-28	173.1	165.5	0	0	0	0	112.4	V651 F655 V670 V678 A680 G686 T694	V651-V682 HydrophobicContact CG1-CB 4.42Å; V651-V682 HydrophobicContact CG1-CG2 3.75Å; V651-V682 HydrophobicContact CG2-CG2 3.84Å; F655-V682 HydrophobicContact CE2-CG1 4.3Å; F655-V682 HydrophobicContact CZ-CG1 4.08Å; F655-V682 HydrophobicContact CZ-CG2 4.19Å; V670-V682 HydrophobicContact CB-CG1 4.49Å; V670-V682 HydrophobicContact CG1-CG2 4.07Å; V670-V682 HydrophobicContact CG2-CG1 4.01Å; V678-V682 HydrophobicContact CG1-CG2 4.03Å; V678-V682 WeakPolarHBondContact O-CB 3.18Å; V678-V682 WeakPolarHBondContact O-CG2 3.33Å; V678-V682 PolarHBondContact O-N 2.79Å; A680-V682 PolarHBondContact O-N 3.29Å; V682-G686 PolarHBondContact O-N 2.88Å; V682-G686 VanDerWaalsContact O-N 3.13Å; V682-T694 HydrophobicContact CG1-CG2 4.38Å
683	K	96.4	Very high	94.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-87.3	-34.4	175.4	-64.8	-42.6	-177	179.8	0	113.8	Y679 A680 E681 D687 T694 H966	Y679-K683 HydrophobicContact CE1-CG 4.19Å; Y679-K683 WeakPolarHBondContact O-CG 3.36Å; Y679-K683 PolarHBondContact O-N 3.1Å; A680-K683 CarbonylContact O-C 3.52Å; A680-K683 WeakPolarHBondContact O-CA 3.45Å; A680-K683 PolarHBondContact O-N 3.32Å; E681-K683 PolarHBondContact O-N 2.8Å; E681-K683 VanDerWaalsContact O-N 3.14Å; K683-D687 WeakPolarHBondContact O-CB 3.05Å; K683-D687 VanDerWaalsContact O-CG 3.22Å; K683-D687 PolarHBondContact O-N 2.87Å; K683-T694 PolarHBondContact NZ-O 3.41Å; K683-T694 PolarHBondContact NZ-OG1 3.1Å; K683-H966 PolarHBondContact O-CD2 3.21Å; K683-H966 PolarHBondContact O-NE2 3.46Å
684	R	94.7	Very high	94.9	Very high	67 Å²	67	31.1 Å²	31.1	25%	0.253	17%	0.166	S	C	.	.	I	π-helix	trans	-61.8	-56.6	169.3	-172.3	-171.2	70.2	83.6	2.4	110.3	E652 A680 E681 I688 M689	E652-R684 IonicContact OE2-CZ 2.81Å; E652-R684 IonicContact OE2-NH1 3.19Å; E652-R684 IonicContact OE2-NH2 2.7Å; E652-R684 PolarHBondContact OE2-NH2 3.02Å; A680-R684 PolarHBondContact O-N 2.76Å; E681-R684 VanDerWaalsContact CD-NH2 3.34Å; E681-R684 PolarHBondContact O-N 3.1Å; E681-R684 VanDerWaalsContact O-N 3.15Å; E681-R684 IonicContact OE1-CZ 3.47Å; E681-R684 IonicContact OE1-NE 2.69Å; E681-R684 IonicContact OE1-NH2 2.93Å; E681-R684 PolarHBondContact OE1-NH2 3.45Å; E681-R684 IonicContact OE2-CZ 3.25Å; E681-R684 IonicContact OE2-NE 2.64Å; E681-R684 PolarHBondContact OE2-NE 2.76Å; E681-R684 IonicContact OE2-NH2 3.96Å; E681-R684 PolarHBondContact OE2-NH2 3.31Å; R684-I688 WeakPolarHBondContact O-CA 3.23Å; R684-I688 VanDerWaalsContact O-CB 3.29Å; R684-I688 WeakPolarHBondContact O-CB 3.35Å; R684-I688 PolarHBondContact O-N 3.2Å; R684-M689 PolarHBondContact NH1-SD 3.06Å; R684-M689 PolarHBondContact O-N 2.83Å
685	V	95.9	Very high	95.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-65.1	-44.6	-176.9	179.2	0	0	0	0	111.4	V651 E652 F655 E681 M689 F690	V651-V685 HydrophobicContact CG1-CB 4.03Å; V651-V685 HydrophobicContact CG1-CG1 4.31Å; V651-V685 HydrophobicContact CG1-CG2 4Å; E652-V685 HydrophobicContact CB-CG1 4.32Å; E652-V685 HydrophobicContact CB-CG2 3.89Å; E652-V685 HydrophobicContact CG-CG1 4.1Å; E652-V685 HydrophobicContact CG-CG2 4.02Å; F655-V685 HydrophobicContact CB-CG1 3.76Å; F655-V685 HydrophobicContact CD2-CB 4.21Å; F655-V685 HydrophobicContact CD2-CG1 3.59Å; F655-V685 HydrophobicContact CE2-CG1 4.47Å; F655-V685 HydrophobicContact CG-CG1 3.99Å; E681-V685 HydrophobicContact CG-CG2 4.07Å; E681-V685 WeakPolarHBondContact O-CB 3.37Å; E681-V685 VanDerWaalsContact O-CG2 3.31Å; E681-V685 WeakPolarHBondContact O-CG2 3.36Å; E681-V685 PolarHBondContact O-N 3.47Å; V685-M689 HydrophobicContact CG2-SD 4.12Å; V685-M689 WeakPolarHBondContact O-CB 3.49Å; V685-M689 PolarHBondContact O-N 3.43Å; V685-F690 HydrophobicContact CG1-CD2 3.48Å; V685-F690 VanDerWaalsContact CG1-CD2 3.48Å; V685-F690 HydrophobicContact CG1-CE2 3.5Å; V685-F690 VanDerWaalsContact CG1-CE2 3.5Å; V685-F690 PolarHBondContact O-N 3.48Å; V685-F690 VanDerWaalsContact O-N 3.1Å
686	G	96.4	Very high	95.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-68.5	-58.6	178.7	0	0	0	0	0	113.6	V682 G691 L692	V682-G686 PolarHBondContact O-N 2.88Å; V682-G686 VanDerWaalsContact O-N 3.13Å; G686-G691 CarbonylContact O-C 3.51Å; G686-G691 WeakPolarHBondContact O-CA 3.35Å; G686-G691 PolarHBondContact O-N 3.22Å; G686-G691 VanDerWaalsContact O-N 3.1Å; G686-L692 PolarHBondContact O-N 3.46Å
687	D	96	Very high	95.9	Very high	5 Å²	5	22 Å²	22	3%	0.027	12%	0.12	C	C	.	.	I	π-helix	trans	-80.3	-31.4	-168.6	-47.7	-38.6	0	0	0	113	K683 R962 H966 V998 H999 T1002 Y1007	K683-D687 WeakPolarHBondContact O-CB 3.05Å; K683-D687 VanDerWaalsContact O-CG 3.22Å; K683-D687 PolarHBondContact O-N 2.87Å; D687-R962 VanDerWaalsContact CG-NH1 3.32Å; D687-R962 IonicContact OD1-NH1 2.97Å; D687-R962 PolarHBondContact OD1-NH1 3.2Å; D687-R962 WeakPolarHBondContact OD2-CD 3.27Å; D687-R962 IonicContact OD2-CZ 3.33Å; D687-R962 IonicContact OD2-NE 2.93Å; D687-R962 IonicContact OD2-NH1 3.99Å; D687-R962 PolarHBondContact OD2-NH1 2.72Å; D687-H966 IonicContact OD2-CE1 2.76Å; D687-H966 PolarHBondContact OD2-CE1 2.97Å; D687-H966 IonicContact OD2-NE2 2.92Å; D687-H966 PolarHBondContact OD2-NE2 3.38Å; D687-V998 HydrophobicContact CB-CG1 4.29Å; D687-V998 WeakPolarHBondContact O-CB 3.24Å; D687-H999 PolarHBondContact O-N 2.86Å; D687-T1002 HydrophobicContact CB-CG2 4.18Å; D687-T1002 WeakPolarHBondContact O-CB 3.42Å; D687-T1002 PolarHBondContact O-OG1 2.85Å; D687-Y1007 HydrophobicContact CB-CD2 3.92Å; D687-Y1007 HydrophobicContact CB-CE2 4.4Å
688	I	93.9	Very high	96.2	Very high	32 Å²	32	21.7 Å²	21.7	16%	0.164	11%	0.111	C	C	.	.	I	π-helix	trans	-102.3	-51.3	-175	-64.3	174.9	0	0	0	112.4	R684 H966 A995 T997 V998 H999	R684-I688 WeakPolarHBondContact O-CA 3.23Å; R684-I688 VanDerWaalsContact O-CB 3.29Å; R684-I688 WeakPolarHBondContact O-CB 3.35Å; R684-I688 PolarHBondContact O-N 3.2Å; I688-H966 HydrophobicContact CD1-CB 3.72Å; I688-A995 WeakPolarHBondContact CD1-O 3.43Å; I688-T997 WeakPolarHBondContact CG2-O 3.48Å; I688-V998 HydrophobicContact CG1-CG1 4.25Å; I688-H999 WeakPolarHBondContact O-CB 3.47Å
689	M	93.5	Very high	96.2	Very high	56 Å²	56	21.9 Å²	21.9	28%	0.276	11%	0.113	S	C	.	.	I	π-helix	trans	-78.8	-48.2	-171.1	-62.9	-175.8	66.1	0	0	114.3	E652 R684 V685	E652-M689 VanDerWaalsContact CD-CE 3.41Å; E652-M689 HydrophobicContact CG-CE 3.91Å; E652-M689 HydrophobicContact CG-SD 3.95Å; E652-M689 WeakPolarHBondContact OE2-CE 3.3Å; R684-M689 PolarHBondContact NH1-SD 3.06Å; R684-M689 PolarHBondContact O-N 2.83Å; V685-M689 HydrophobicContact CG2-SD 4.12Å; V685-M689 WeakPolarHBondContact O-CB 3.49Å; V685-M689 PolarHBondContact O-N 3.43Å
690	F	94.5	Very high	96.2	Very high	28 Å²	28	24.7 Å²	24.7	12%	0.123	13%	0.126	C	C	.	.	I	π-helix	trans	-118.2	-5.2	-165.7	-60.4	-40.3	0	0	0	115.1	E652 F655 R656 K659 V685 L692	E652-F690 HydrophobicContact CG-CE2 3.99Å; E652-F690 HydrophobicContact CG-CZ 4.06Å; F655-F690 HydrophobicContact CB-CD2 3.8Å; F655-F690 HydrophobicContact CB-CE2 4Å; R656-F690 HydrophobicContact CB-CE2 4.02Å; R656-F690 HydrophobicContact CB-CZ 3.78Å; R656-F690 HydrophobicContact CG-CZ 4.33Å; K659-F690 HydrophobicContact CD-CB 4.16Å; K659-F690 PolarHBondContact NZ-O 2.97Å; V685-F690 HydrophobicContact CG1-CD2 3.48Å; V685-F690 VanDerWaalsContact CG1-CD2 3.48Å; V685-F690 HydrophobicContact CG1-CE2 3.5Å; V685-F690 VanDerWaalsContact CG1-CE2 3.5Å; V685-F690 PolarHBondContact O-N 3.48Å; V685-F690 VanDerWaalsContact O-N 3.1Å; F690-L692 VanDerWaalsContact C-N 3.27Å; F690-L692 HydrophobicContact CB-CD1 3.74Å; F690-L692 HydrophobicContact CB-CG 3.82Å; F690-L692 HydrophobicContact CD2-CD1 4.34Å; F690-L692 HydrophobicContact CG-CD1 4.48Å; F690-L692 PolarHBondContact O-N 3.29Å
691	G	95.3	Very high	96.3	Very high	17 Å²	17	26.6 Å²	26.6	18%	0.175	14%	0.135	C	C	.	.			trans	73.3	12.5	178.7	0	0	0	0	0	115.7	G686 H999 T1002	G686-G691 CarbonylContact O-C 3.51Å; G686-G691 WeakPolarHBondContact O-CA 3.35Å; G686-G691 PolarHBondContact O-N 3.22Å; G686-G691 VanDerWaalsContact O-N 3.1Å; G691-H999 WeakPolarHBondContact CA-ND1 3.5Å; G691-T1002 WeakPolarHBondContact CA-OG1 3.23Å
692	L	96	Very high	96.3	Very high	15 Å²	15	26.3 Å²	26.3	8%	0.079	13%	0.134	C	C	.	.			trans	-85.6	127.1	-168.1	-62.4	170.2	0	0	0	112	F655 K659 L665 I668 G686 F690 T694	F655-L692 HydrophobicContact CB-CD1 4.04Å; F655-L692 HydrophobicContact CD2-CD1 4.29Å; F655-L692 HydrophobicContact CG-CD1 4.39Å; K659-L692 HydrophobicContact CB-CD1 4.28Å; K659-L692 HydrophobicContact CB-CD2 4.29Å; K659-L692 HydrophobicContact CD-CD2 4.21Å; K659-L692 HydrophobicContact CG-CD2 4.31Å; L665-L692 HydrophobicContact CD2-CD2 4.47Å; I668-L692 HydrophobicContact CD1-CB 4.48Å; I668-L692 HydrophobicContact CD1-CD1 3.92Å; G686-L692 PolarHBondContact O-N 3.46Å; F690-L692 VanDerWaalsContact C-N 3.27Å; F690-L692 HydrophobicContact CB-CD1 3.74Å; F690-L692 HydrophobicContact CB-CG 3.82Å; F690-L692 HydrophobicContact CD2-CD1 4.34Å; F690-L692 HydrophobicContact CG-CD1 4.48Å; F690-L692 PolarHBondContact O-N 3.29Å; L692-T694 PolarHBondContact O-N 3.07Å
693	A	97.2	Very high	96.3	Very high	22 Å²	22	29.9 Å²	29.9	18%	0.182	15%	0.153	C	C	.	.			trans	-68.6	118.6	174.9	0	0	0	0	0	110.9	Q666 I668 K720 L721	Q666-A693 WeakPolarHBondContact O-CB 3.15Å; I668-A693 PolarHBondContact N-O 3.03Å; A693-K720 HydrophobicContact CB-CB 4.44Å; A693-L721 HydrophobicContact CB-CD2 3.83Å
694	T	98.1	Very high	96.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.8	-173.6	49.3	0	0	0	0	112.6	F655 I668 V682 K683 L692 K720	F655-T694 HydrophobicContact CD2-CG2 4.5Å; F655-T694 HydrophobicContact CE2-CG2 3.58Å; F655-T694 HydrophobicContact CZ-CG2 3.97Å; I668-T694 HydrophobicContact CB-CG2 4.28Å; I668-T694 WeakPolarHBondContact O-CA 3.45Å; V682-T694 HydrophobicContact CG1-CG2 4.38Å; K683-T694 PolarHBondContact NZ-O 3.41Å; K683-T694 PolarHBondContact NZ-OG1 3.1Å; L692-T694 PolarHBondContact O-N 3.07Å; T694-K720 PolarHBondContact O-NZ 3.21Å; T694-K720 VanDerWaalsContact O-NZ 3.11Å
695	Q	98.2	Very high	96.3	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	104.9	177.5	-176.3	48.4	54.2	0	0	112	L667 I668 V669 V670 L713 I717	L667-Q695 HydrophobicContact CD1-CB 4.12Å; I668-Q695 PolarHBondContact O-N 3.18Å; V669-Q695 WeakPolarHBondContact CA-O 3.36Å; V670-Q695 PolarHBondContact N-O 2.84Å; Q695-L713 HydrophobicContact CG-CD1 3.59Å; Q695-L713 HydrophobicContact CG-CG 4.24Å; Q695-I717 HydrophobicContact CB-CG1 4.18Å; Q695-I717 HydrophobicContact CG-CD1 4.35Å; Q695-I717 HydrophobicContact CG-CG1 3.87Å
696	C	98.1	Very high	96.2	Very high	19 Å²	19	38.8 Å²	38.8	13%	0.128	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.8	-179.9	-44.4	0	0	0	0	112	V670 L672 Y679	V670-C696 CarbonylContact O-C 3.52Å; V670-C696 WeakPolarHBondContact O-CA 3.46Å; L672-C696 HydrophobicContact CD1-CB 3.93Å; L672-C696 HydrophobicContact CG-CB 4.49Å; Y679-C696 HydrophobicContact CD2-CB 4.16Å; Y679-C696 HydrophobicContact CE2-CB 4.13Å
697	V	98	Very high	96.2	Very high	11 Å²	11	43 Å²	43	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.7	177.5	-171.3	0	0	0	0	108.8	F620 V669 V670 V671 L672 N701 V702 L713	F620-V697 HydrophobicContact CE2-CG1 4.35Å; F620-V697 HydrophobicContact CZ-CG2 4.25Å; V669-V697 HydrophobicContact CG1-CG2 4.16Å; V670-V697 PolarHBondContact O-N 3.01Å; V671-V697 CarbonylContact C-O 3.49Å; V671-V697 WeakPolarHBondContact CA-O 3.47Å; L672-V697 PolarHBondContact N-O 2.86Å; V697-N701 HydrophobicContact CG1-CB 4.02Å; V697-V702 HydrophobicContact CB-CG2 4.29Å; V697-V702 HydrophobicContact CG1-CG2 3.75Å; V697-L713 HydrophobicContact CG2-CD1 4.04Å; V697-L713 HydrophobicContact CG2-CD2 3.81Å
698	Q	97	Very high	96	Very high	76 Å²	76	47.6 Å²	47.6	36%	0.355	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.6	173.4	-71.5	-172	-19.3	0	0	110.6	L672 K700 N701 V702	L672-Q698 CarbonylContact O-C 3.53Å; L672-Q698 WeakPolarHBondContact O-CA 3.37Å; Q698-K700 HydrophobicContact CB-CG 4.35Å; Q698-K700 PolarHBondContact O-N 3.38Å; Q698-K700 VanDerWaalsContact O-N 3.11Å; Q698-K700 VanDerWaalsContact OE1-CE 3.25Å; Q698-N701 WeakPolarHBondContact O-CA 3.25Å; Q698-N701 WeakPolarHBondContact O-CB 3.35Å; Q698-N701 PolarHBondContact O-N 2.86Å; Q698-V702 PolarHBondContact O-N 2.72Å
699	S	96.6	Very high	96.1	Very high	12 Å²	12	48.1 Å²	48.1	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-41	-47	176	52.2	0	0	0	0	113.7	V612 L672 P673 N701 V702 N703	V612-S699 VanDerWaalsContact CG2-CB 3.5Å; L672-S699 PolarHBondContact O-N 3.08Å; P673-S699 PolarHBondContact O-OG 3.11Å; S699-N701 PolarHBondContact O-N 2.93Å; S699-V702 WeakPolarHBondContact O-CB 3.38Å; S699-V702 PolarHBondContact O-N 2.74Å; S699-N703 PolarHBondContact O-N 2.79Å
700	K	95.9	Very high	96.3	Very high	126 Å²	126	45.6 Å²	45.6	55%	0.548	24%	0.243	S	C	.	.	H	α-helix	trans	-57.8	-32.4	178.6	81.6	-164.9	-168.5	-158.2	0	114	Q698 K704	Q698-K700 HydrophobicContact CB-CG 4.35Å; Q698-K700 PolarHBondContact O-N 3.38Å; Q698-K700 VanDerWaalsContact O-N 3.11Å; Q698-K700 VanDerWaalsContact OE1-CE 3.25Å; K700-K704 PolarHBondContact O-N 3.14Å
701	N	96.5	Very high	96.3	Very high	51 Å²	51	45.3 Å²	45.3	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-84.3	-14.3	179	-63.2	13.3	0	0	0	112.4	V697 Q698 S699 T709	V697-N701 HydrophobicContact CG1-CB 4.02Å; Q698-N701 WeakPolarHBondContact O-CA 3.25Å; Q698-N701 WeakPolarHBondContact O-CB 3.35Å; Q698-N701 PolarHBondContact O-N 2.86Å; S699-N701 PolarHBondContact O-N 2.93Å; N701-T709 HydrophobicContact CB-CG2 4.35Å
702	V	97.1	Very high	96.4	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-85.1	-48.7	170.7	176.1	0	0	0	0	109.1	V612 L617 F620 V671 V697 Q698 S699 K704	V612-V702 HydrophobicContact CG1-CG1 3.93Å; L617-V702 HydrophobicContact CD2-CG1 4.04Å; F620-V702 HydrophobicContact CB-CG1 3.77Å; F620-V702 HydrophobicContact CD2-CB 4.31Å; F620-V702 HydrophobicContact CD2-CG1 4.31Å; F620-V702 HydrophobicContact CD2-CG2 4.07Å; F620-V702 HydrophobicContact CE2-CG2 4.22Å; F620-V702 HydrophobicContact CG-CB 4.44Å; F620-V702 HydrophobicContact CG-CG1 3.95Å; F620-V702 HydrophobicContact CG-CG2 4.33Å; V671-V702 HydrophobicContact CG1-CG2 3.84Å; V671-V702 HydrophobicContact CG2-CG2 3.95Å; V697-V702 HydrophobicContact CB-CG2 4.29Å; V697-V702 HydrophobicContact CG1-CG2 3.75Å; Q698-V702 PolarHBondContact O-N 2.72Å; S699-V702 WeakPolarHBondContact O-CB 3.38Å; S699-V702 PolarHBondContact O-N 2.74Å; V702-K704 VanDerWaalsContact C-N 3.35Å; V702-K704 PolarHBondContact O-N 2.66Å
703	N	95.9	Very high	96.4	Very high	74 Å²	74	46.8 Å²	46.8	40%	0.396	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-33.1	178.8	-66.8	2.9	0	0	0	113.2	I611 S699	I611-N703 PolarHBondContact O-ND2 3.43Å; S699-N703 PolarHBondContact O-N 2.79Å
704	K	95.3	Very high	96.5	Very high	176 Å²	176	45.7 Å²	45.7	77%	0.765	24%	0.24	S	C	*	.	S	Bend	trans	-132.7	87	173.3	-167.4	166.7	-174.5	169.9	0	109.7	K700 V702	K700-K704 PolarHBondContact O-N 3.14Å; V702-K704 VanDerWaalsContact C-N 3.35Å; V702-K704 PolarHBondContact O-N 2.66Å
705	T	95.9	Very high	96.4	Very high	34 Å²	34	46 Å²	46	21%	0.209	24%	0.241	C	C	.	.			trans	-65.2	160.8	173.4	46.1	0	0	0	0	112.2	F620 Q623 L710	F620-T705 HydrophobicContact CB-CG2 4.41Å; F620-T705 HydrophobicContact CD2-CG2 3.85Å; Q623-T705 VanDerWaalsContact OE1-CB 3.28Å; Q623-T705 PolarHBondContact OE1-OG1 2.96Å; T705-L710 HydrophobicContact CG2-CD1 4.24Å; T705-L710 HydrophobicContact CG2-CD2 4.26Å
706	S	95.7	Very high	96.4	Very high	46 Å²	46	47.2 Å²	47.2	32%	0.322	25%	0.246	S	C	.	.			trans	-147.4	148.7	160.2	76.6	0	0	0	0	110.5	Q708 T709 L710	S706-Q708 PolarHBondContact O-N 2.98Å; S706-T709 WeakPolarHBondContact O-CB 3.43Å; S706-T709 PolarHBondContact O-N 3.34Å; S706-T709 WeakPolarHBondContact OG-CB 3.36Å; S706-T709 PolarHBondContact OG-N 3.21Å; S706-T709 PolarHBondContact OG-OG1 2.87Å; S706-L710 PolarHBondContact O-N 2.96Å
707	P	94.9	Very high	96.4	Very high	89 Å²	89	46.3 Å²	46.3	58%	0.578	24%	0.24	S	C	*	.	H	α-helix	trans	-55.1	-38.9	-178.8	-28.3	35.9	0	0	0	113.3	I627 L710 S711	I627-P707 HydrophobicContact CD1-CB 4.08Å; P707-L710 PolarHBondContact O-N 3.16Å; P707-S711 VanDerWaalsContact O-CB 3.26Å; P707-S711 WeakPolarHBondContact O-CB 3.38Å; P707-S711 PolarHBondContact O-N 2.95Å
708	Q	93.1	Very high	96.4	Very high	101 Å²	101	45.8 Å²	45.8	47%	0.472	24%	0.237	S	C	.	.	H	α-helix	trans	-66.9	-35.9	176.7	-176.7	60.9	83.6	0	0	112.9	S706 N712	S706-Q708 PolarHBondContact O-N 2.98Å; Q708-N712 PolarHBondContact NE2-ND2 3.36Å; Q708-N712 VanDerWaalsContact NE2-ND2 3.18Å; Q708-N712 PolarHBondContact NE2-OD1 3.03Å; Q708-N712 WeakPolarHBondContact O-CB 3.21Å; Q708-N712 VanDerWaalsContact O-CG 3.22Å; Q708-N712 PolarHBondContact O-N 3.15Å; Q708-N712 VanDerWaalsContact O-N 3.11Å; Q708-N712 PolarHBondContact O-ND2 3.44Å
709	T	95.1	Very high	96.4	Very high	43 Å²	43	42.3 Å²	42.3	26%	0.264	22%	0.221	S	C	.	.	H	α-helix	trans	-70.7	-41.7	176.3	-55.5	0	0	0	0	111	N701 S706 N712 L713	N701-T709 HydrophobicContact CB-CG2 4.35Å; S706-T709 WeakPolarHBondContact O-CB 3.43Å; S706-T709 PolarHBondContact O-N 3.34Å; S706-T709 WeakPolarHBondContact OG-CB 3.36Å; S706-T709 PolarHBondContact OG-N 3.21Å; S706-T709 PolarHBondContact OG-OG1 2.87Å; T709-N712 PolarHBondContact O-N 2.94Å; T709-L713 PolarHBondContact O-N 3.41Å
710	L	96.8	Very high	96.4	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-41.8	177.8	-64.8	174.1	0	0	0	111.7	F620 Q623 L624 I627 T705 S706 P707 N712 L713 C714	F620-L710 HydrophobicContact CD2-CD2 4.18Å; F620-L710 HydrophobicContact CE2-CD2 3.82Å; Q623-L710 HydrophobicContact CB-CD1 3.67Å; L624-L710 HydrophobicContact CB-CD2 4.35Å; L624-L710 HydrophobicContact CD1-CD2 4.19Å; I627-L710 HydrophobicContact CB-CB 4.14Å; I627-L710 HydrophobicContact CG1-CB 4.16Å; I627-L710 HydrophobicContact CG1-CD1 4.16Å; I627-L710 HydrophobicContact CG2-CB 3.95Å; T705-L710 HydrophobicContact CG2-CD1 4.24Å; T705-L710 HydrophobicContact CG2-CD2 4.26Å; S706-L710 PolarHBondContact O-N 2.96Å; P707-L710 PolarHBondContact O-N 3.16Å; L710-N712 PolarHBondContact O-N 3.17Å; L710-L713 CarbonylContact O-C 3.52Å; L710-L713 WeakPolarHBondContact O-CA 3.48Å; L710-L713 VanDerWaalsContact O-CB 3.26Å; L710-L713 WeakPolarHBondContact O-CB 3.48Å; L710-L713 PolarHBondContact O-N 3.12Å; L710-C714 PolarHBondContact O-N 2.95Å; L710-C714 PolarHBondContact O-SG 2.86Å; L710-C714 VanDerWaalsContact O-SG 3.34Å
711	S	96.4	Very high	96.4	Very high	21 Å²	21	37.7 Å²	37.7	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-43.6	173.8	175.6	0	0	0	0	111.8	P707 L713 C714 L715	P707-S711 VanDerWaalsContact O-CB 3.26Å; P707-S711 WeakPolarHBondContact O-CB 3.38Å; P707-S711 PolarHBondContact O-N 2.95Å; S711-L713 PolarHBondContact O-N 2.91Å; S711-C714 PolarHBondContact O-N 3.44Å; S711-L715 PolarHBondContact O-N 2.83Å
712	N	96	Very high	96.3	Very high	45 Å²	45	35.7 Å²	35.7	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-20.3	172.4	-72.8	-28.6	0	0	0	113.6	Q708 T709 L710 K716	Q708-N712 PolarHBondContact NE2-ND2 3.36Å; Q708-N712 VanDerWaalsContact NE2-ND2 3.18Å; Q708-N712 PolarHBondContact NE2-OD1 3.03Å; Q708-N712 WeakPolarHBondContact O-CB 3.21Å; Q708-N712 VanDerWaalsContact O-CG 3.22Å; Q708-N712 PolarHBondContact O-N 3.15Å; Q708-N712 VanDerWaalsContact O-N 3.11Å; Q708-N712 PolarHBondContact O-ND2 3.44Å; T709-N712 PolarHBondContact O-N 2.94Å; L710-N712 PolarHBondContact O-N 3.17Å; N712-K716 WeakPolarHBondContact O-CD 3.31Å
713	L	97.1	Very high	96.2	Very high	18 Å²	18	35.7 Å²	35.7	9%	0.094	19%	0.193	C	C	.	.	H	α-helix	trans	-79.3	-45.6	172.1	-164.4	66.7	0	0	0	110.9	F620 L624 Q695 V697 T709 L710 S711 L715 K716 I717	F620-L713 HydrophobicContact CE2-CD2 4.34Å; F620-L713 HydrophobicContact CZ-CD2 4.05Å; L624-L713 HydrophobicContact CD1-CD2 4.18Å; Q695-L713 HydrophobicContact CG-CD1 3.59Å; Q695-L713 HydrophobicContact CG-CG 4.24Å; V697-L713 HydrophobicContact CG2-CD1 4.04Å; V697-L713 HydrophobicContact CG2-CD2 3.81Å; T709-L713 PolarHBondContact O-N 3.41Å; L710-L713 CarbonylContact O-C 3.52Å; L710-L713 WeakPolarHBondContact O-CA 3.48Å; L710-L713 VanDerWaalsContact O-CB 3.26Å; L710-L713 WeakPolarHBondContact O-CB 3.48Å; L710-L713 PolarHBondContact O-N 3.12Å; S711-L713 PolarHBondContact O-N 2.91Å; L713-L715 VanDerWaalsContact C-N 3.33Å; L713-L715 PolarHBondContact O-N 3.38Å; L713-K716 WeakPolarHBondContact O-CB 3.47Å; L713-K716 PolarHBondContact O-N 3.16Å; L713-I717 HydrophobicContact CD2-CD1 4.49Å; L713-I717 HydrophobicContact CG-CD1 4.05Å; L713-I717 WeakPolarHBondContact O-CG1 3.42Å; L713-I717 PolarHBondContact O-N 3.49Å
714	C	97.9	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.3	-43	174.8	-63.9	0	0	0	0	112	F592 M633 L710 S711 K716 I717 N718	F592-C714 HydrophobicContact CE2-CB 4.35Å; F592-C714 HydrophobicContact CZ-CB 4.08Å; M633-C714 HydrophobicContact CE-CB 3.95Å; L710-C714 PolarHBondContact O-N 2.95Å; L710-C714 PolarHBondContact O-SG 2.86Å; L710-C714 VanDerWaalsContact O-SG 3.34Å; S711-C714 PolarHBondContact O-N 3.44Å; C714-K716 PolarHBondContact O-N 2.99Å; C714-K716 VanDerWaalsContact O-N 3.15Å; C714-I717 PolarHBondContact O-N 2.93Å; C714-N718 PolarHBondContact O-N 2.94Å
715	L	97.4	Very high	96.3	Very high	6 Å²	6	25 Å²	25	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-50.4	-38.3	172.6	-80.7	174.9	0	0	0	112.6	M587 F592 S711 L713 N725	M587-L715 HydrophobicContact SD-CD2 4.01Å; M587-L715 HydrophobicContact SD-CG 4.44Å; F592-L715 HydrophobicContact CE1-CD2 3.73Å; F592-L715 HydrophobicContact CE1-CG 4.41Å; F592-L715 HydrophobicContact CZ-CD2 4.44Å; S711-L715 PolarHBondContact O-N 2.83Å; L713-L715 VanDerWaalsContact C-N 3.33Å; L713-L715 PolarHBondContact O-N 3.38Å; L715-N725 HydrophobicContact CD2-CB 3.99Å; L715-N725 VanDerWaalsContact CD2-ND2 3.29Å; L715-N725 WeakPolarHBondContact CD2-ND2 3.31Å; L715-N725 PolarHBondContact O-ND2 2.72Å
716	K	97.6	Very high	96.3	Very high	35 Å²	35	24.2 Å²	24.2	15%	0.152	14%	0.14	C	C	.	.	H	α-helix	trans	-83.9	-29.8	-179.9	-68.8	165.6	50.4	53.6	0	113.3	N712 L713 C714 K720 R942 A1009	N712-K716 WeakPolarHBondContact O-CD 3.31Å; L713-K716 WeakPolarHBondContact O-CB 3.47Å; L713-K716 PolarHBondContact O-N 3.16Å; C714-K716 PolarHBondContact O-N 2.99Å; C714-K716 VanDerWaalsContact O-N 3.15Å; K716-K720 WeakPolarHBondContact O-CD 3.44Å; K716-K720 VanDerWaalsContact O-CG 3.3Å; K716-K720 WeakPolarHBondContact O-CG 3.47Å; K716-K720 PolarHBondContact O-N 2.55Å; K716-R942 HydrophobicContact CG-CG 4.26Å; K716-A1009 PolarHBondContact NZ-O 3.09Å; K716-A1009 PolarHBondContact NZ-OXT 3.1Å
717	I	98.1	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.3	-53.6	179	-67.8	167.1	0	0	0	109.7	I598 M633 L667 Q695 L713 C714 V719 K720 L721	I598-I717 HydrophobicContact CD1-CG2 3.58Å; M633-I717 HydrophobicContact CE-CB 4.1Å; M633-I717 HydrophobicContact CE-CG2 3.91Å; M633-I717 HydrophobicContact SD-CB 3.94Å; M633-I717 HydrophobicContact SD-CG2 3.68Å; L667-I717 HydrophobicContact CD1-CG2 4.39Å; L667-I717 HydrophobicContact CD2-CD1 4.21Å; L667-I717 HydrophobicContact CD2-CG1 4.3Å; L667-I717 HydrophobicContact CD2-CG2 3.69Å; Q695-I717 HydrophobicContact CB-CG1 4.18Å; Q695-I717 HydrophobicContact CG-CD1 4.35Å; Q695-I717 HydrophobicContact CG-CG1 3.87Å; L713-I717 HydrophobicContact CD2-CD1 4.49Å; L713-I717 HydrophobicContact CG-CD1 4.05Å; L713-I717 WeakPolarHBondContact O-CG1 3.42Å; L713-I717 PolarHBondContact O-N 3.49Å; C714-I717 PolarHBondContact O-N 2.93Å; I717-V719 VanDerWaalsContact C-N 3.29Å; I717-V719 PolarHBondContact O-N 3.34Å; I717-K720 WeakPolarHBondContact O-CB 3.5Å; I717-K720 PolarHBondContact O-N 3.25Å; I717-L721 HydrophobicContact CG2-CD1 3.99Å; I717-L721 HydrophobicContact CG2-CG 4.48Å; I717-L721 PolarHBondContact O-N 3.49Å
718	N	97.8	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-52	-48.4	-175.6	-170.1	50.4	0	0	0	112.1	F592 S594 G595 I596 M633 C714 K720 L721 G722 G723 N725	F592-N718 HydrophobicContact CD2-CB 3.96Å; F592-N718 HydrophobicContact CE2-CB 3.75Å; F592-N718 HydrophobicContact CZ-CB 4.27Å; S594-N718 PolarHBondContact O-ND2 3.4Å; G595-N718 WeakPolarHBondContact CA-OD1 3.49Å; I596-N718 PolarHBondContact N-OD1 2.78Å; M633-N718 HydrophobicContact CG-CB 4.35Å; M633-N718 HydrophobicContact SD-CB 3.66Å; M633-N718 PolarHBondContact SD-N 3.41Å; C714-N718 PolarHBondContact O-N 2.94Å; N718-K720 PolarHBondContact O-N 2.99Å; N718-L721 CarbonylContact O-C 3.38Å; N718-L721 PolarHBondContact O-N 2.87Å; N718-L721 VanDerWaalsContact O-N 3.16Å; N718-G722 PolarHBondContact O-N 3.28Å; N718-G723 WeakPolarHBondContact O-CA 3.24Å; N718-G723 PolarHBondContact O-N 2.73Å; N718-N725 WeakPolarHBondContact CB-OD1 3.28Å; N718-N725 PolarHBondContact ND2-OD1 2.94Å
719	V	96.8	Very high	96.4	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.024	8%	0.079	C	C	.	.	H	α-helix	trans	-62.3	-37.1	178	161.2	0	0	0	0	113.8	I717 L721 G722 N725 V941 M1006 A1009	I717-V719 VanDerWaalsContact C-N 3.29Å; I717-V719 PolarHBondContact O-N 3.34Å; V719-L721 VanDerWaalsContact C-N 3.25Å; V719-L721 PolarHBondContact O-N 3.11Å; V719-G722 PolarHBondContact O-N 2.88Å; V719-N725 WeakPolarHBondContact CG2-ND2 3.12Å; V719-V941 HydrophobicContact CB-CG2 4.31Å; V719-V941 HydrophobicContact CG1-CG2 3.89Å; V719-V941 HydrophobicContact CG2-CB 3.77Å; V719-V941 HydrophobicContact CG2-CG1 4.17Å; V719-V941 HydrophobicContact CG2-CG2 3.67Å; V719-M1006 HydrophobicContact CG1-CB 3.53Å; V719-M1006 HydrophobicContact CG1-CE 4.23Å; V719-M1006 HydrophobicContact CG1-CG 4.2Å; V719-M1006 HydrophobicContact CG1-SD 3.78Å; V719-A1009 HydrophobicContact CG1-CB 3.96Å
720	K	96.5	Very high	96.3	Very high	8 Å²	8	14.3 Å²	14.3	4%	0.035	8%	0.083	C	C	.	.	H	α-helix	trans	-70.5	-24.3	176.4	-78.7	174.6	178.5	173.5	0	113.2	A693 T694 K716 I717 N718 G722 V1005 A1009	A693-K720 HydrophobicContact CB-CB 4.44Å; T694-K720 PolarHBondContact O-NZ 3.21Å; T694-K720 VanDerWaalsContact O-NZ 3.11Å; K716-K720 WeakPolarHBondContact O-CD 3.44Å; K716-K720 VanDerWaalsContact O-CG 3.3Å; K716-K720 WeakPolarHBondContact O-CG 3.47Å; K716-K720 PolarHBondContact O-N 2.55Å; I717-K720 WeakPolarHBondContact O-CB 3.5Å; I717-K720 PolarHBondContact O-N 3.25Å; N718-K720 PolarHBondContact O-N 2.99Å; K720-G722 VanDerWaalsContact C-N 3.31Å; K720-V1005 WeakPolarHBondContact O-CB 3.16Å; K720-V1005 WeakPolarHBondContact O-CG1 3.29Å; K720-A1009 WeakPolarHBondContact CE-O 3.5Å; K720-A1009 HydrophobicContact CG-CB 4.37Å; K720-A1009 PolarHBondContact NZ-O 3.43Å
721	L	96.1	Very high	95.9	Very high	32 Å²	32	19.3 Å²	19.3	17%	0.168	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8	174.5	-53.7	-178.8	0	0	0	112.2	I596 I598 Q666 A693 I717 N718 V719	I596-L721 HydrophobicContact CB-CB 4.13Å; I596-L721 HydrophobicContact CG1-CB 3.95Å; I596-L721 HydrophobicContact CG2-CB 3.91Å; I596-L721 HydrophobicContact CG2-CD1 4.13Å; I598-L721 HydrophobicContact CD1-CD1 3.51Å; I598-L721 HydrophobicContact CG1-CD1 3.6Å; Q666-L721 HydrophobicContact CB-CD2 4.27Å; Q666-L721 WeakPolarHBondContact O-CD2 3.45Å; A693-L721 HydrophobicContact CB-CD2 3.83Å; I717-L721 HydrophobicContact CG2-CD1 3.99Å; I717-L721 HydrophobicContact CG2-CG 4.48Å; I717-L721 PolarHBondContact O-N 3.49Å; N718-L721 CarbonylContact O-C 3.38Å; N718-L721 PolarHBondContact O-N 2.87Å; N718-L721 VanDerWaalsContact O-N 3.16Å; V719-L721 VanDerWaalsContact C-N 3.25Å; V719-L721 PolarHBondContact O-N 3.11Å
722	G	93.8	Very high	95.4	Very high	10 Å²	10	21.3 Å²	21.3	10%	0.103	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	3	175.9	0	0	0	0	0	115.7	N718 V719 K720 R774	N718-G722 PolarHBondContact O-N 3.28Å; V719-G722 PolarHBondContact O-N 2.88Å; K720-G722 VanDerWaalsContact C-N 3.31Å; G722-R774 PolarHBondContact O-NH1 3.19Å
723	G	95.6	Very high	95	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	13%	0.13	C	C	.	.			trans	-70.5	165	176.1	0	0	0	0	0	113.9	S594 N718	S594-G723 CarbonylContact O-C 3.56Å; S594-G723 WeakPolarHBondContact O-CA 3.24Å; N718-G723 WeakPolarHBondContact O-CA 3.24Å; N718-G723 PolarHBondContact O-N 2.73Å
724	I	97	Very high	94.5	Very high	25 Å²	25	22.1 Å²	22.1	13%	0.128	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-116.8	113.7	-178.8	-58.1	-179.8	0	0	0	108.1	F593 S594 I727 R774	F593-I724 HydrophobicContact CB-CB 4.45Å; F593-I724 HydrophobicContact CB-CG2 4.06Å; F593-I724 WeakPolarHBondContact CB-O 3.41Å; F593-I724 HydrophobicContact CD1-CB 4.18Å; F593-I724 HydrophobicContact CD1-CD1 4.47Å; F593-I724 HydrophobicContact CD1-CG2 3.85Å; F593-I724 HydrophobicContact CG-CG2 4.32Å; F593-I724 PolarHBondContact N-O 3.37Å; F593-I724 VanDerWaalsContact N-O 3.08Å; S594-I724 PolarHBondContact N-O 3.34Å; S594-I724 PolarHBondContact O-N 2.63Å; I724-I727 HydrophobicContact CG2-CG2 3.83Å; I724-R774 HydrophobicContact CG1-CG 4.16Å
725	N	96.7	Very high	94.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	15%	0.149	C	C	.	.			trans	-68.8	-47.1	-175.8	-67.7	-9.6	0	0	0	111.9	F592 F593 L715 N718 V719 V941	F592-N725 WeakPolarHBondContact CA-O 3.44Å; F592-N725 HydrophobicContact CD1-CB 3.82Å; F592-N725 HydrophobicContact CE1-CB 4.09Å; F593-N725 PolarHBondContact N-O 3.09Å; L715-N725 HydrophobicContact CD2-CB 3.99Å; L715-N725 VanDerWaalsContact CD2-ND2 3.29Å; L715-N725 WeakPolarHBondContact CD2-ND2 3.31Å; L715-N725 PolarHBondContact O-ND2 2.72Å; N718-N725 WeakPolarHBondContact CB-OD1 3.28Å; N718-N725 PolarHBondContact ND2-OD1 2.94Å; V719-N725 WeakPolarHBondContact CG2-ND2 3.12Å; N725-V941 PolarHBondContact ND2-O 3.18Å
726	S	96.5	Very high	94	Very high	18 Å²	18	24.7 Å²	24.7	13%	0.126	15%	0.151	C	C	.	.			trans	-164	164.3	-179.4	52.7	0	0	0	0	110.1	Q569 S773	Q569-S726 WeakPolarHBondContact O-CA 3.14Å; Q569-S726 WeakPolarHBondContact O-CB 3.33Å; S726-S773 PolarHBondContact O-OG 3.3Å; S726-S773 VanDerWaalsContact O-OG 3.05Å
727	I	96.5	Very high	93.8	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	163.2	176.3	68.5	167.4	0	0	0	110.5	I568 Q569 F593 I724 P730 H771	I568-I727 CarbonylContact C-O 3.59Å; I568-I727 WeakPolarHBondContact CA-O 3.49Å; Q569-I727 HydrophobicContact CB-CD1 4.49Å; Q569-I727 HydrophobicContact CB-CG1 3.85Å; Q569-I727 PolarHBondContact N-O 2.96Å; Q569-I727 PolarHBondContact O-N 3.45Å; F593-I727 HydrophobicContact CD1-CG2 3.89Å; F593-I727 HydrophobicContact CD2-CD1 4.04Å; F593-I727 HydrophobicContact CD2-CG1 3.94Å; F593-I727 HydrophobicContact CD2-CG2 4.25Å; F593-I727 HydrophobicContact CE1-CD1 4.42Å; F593-I727 HydrophobicContact CE1-CG2 4.13Å; F593-I727 HydrophobicContact CE2-CD1 3.47Å; F593-I727 VanDerWaalsContact CE2-CD1 3.47Å; F593-I727 HydrophobicContact CE2-CG1 3.9Å; F593-I727 HydrophobicContact CE2-CG2 4.48Å; F593-I727 HydrophobicContact CG-CG1 4.48Å; F593-I727 HydrophobicContact CG-CG2 3.95Å; F593-I727 HydrophobicContact CZ-CD1 3.69Å; F593-I727 HydrophobicContact CZ-CG1 4.41Å; F593-I727 HydrophobicContact CZ-CG2 4.42Å; I724-I727 HydrophobicContact CG2-CG2 3.83Å; I727-P730 HydrophobicContact CD1-CG 4.1Å; I727-H771 HydrophobicContact CB-CB 4.04Å; I727-H771 HydrophobicContact CG2-CB 3.6Å
728	I	94.9	Very high	93.5	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.9	162.3	-64	153.2	0	0	0	108.1	P566 P730 V732 R733 Q935 T939	P566-I728 HydrophobicContact CB-CG2 4.05Å; I728-P730 WeakPolarHBondContact O-CD 3.46Å; I728-V732 HydrophobicContact CG2-CG2 4.12Å; I728-R733 HydrophobicContact CB-CG 4.39Å; I728-R733 HydrophobicContact CG2-CG 3.79Å; I728-Q935 HydrophobicContact CD1-CB 3.88Å; I728-T939 HydrophobicContact CD1-CG2 3.57Å; I728-T939 HydrophobicContact CG1-CG2 4.03Å
729	V	94.7	Very high	93.3	Very high	7 Å²	7	39 Å²	39	4%	0.042	21%	0.209	C	C	.	.			trans	-53.2	121.6	175.4	163.9	0	0	0	0	109.6	K567 Q569 Q577 S731 V732	K567-V729 HydrophobicContact CB-CB 4.08Å; K567-V729 HydrophobicContact CB-CG2 3.63Å; K567-V729 WeakPolarHBondContact O-CG2 3.42Å; K567-V729 PolarHBondContact O-N 3.43Å; Q569-V729 HydrophobicContact CB-CG2 3.87Å; Q577-V729 HydrophobicContact CG-CG2 4.15Å; V729-S731 WeakPolarHBondContact CG1-OG 3.42Å; V729-S731 PolarHBondContact O-N 3.46Å; V729-V732 HydrophobicContact CB-CG2 4.09Å; V729-V732 HydrophobicContact CG1-CG2 4.43Å; V729-V732 WeakPolarHBondContact O-CG2 3.28Å; V729-V732 PolarHBondContact O-N 3.39Å; V729-V732 VanDerWaalsContact O-N 3.16Å
730	P	91.2	Very high	93.3	Very high	54 Å²	54	40.5 Å²	40.5	35%	0.351	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-58.3	-27.1	-166.3	-31.7	36.7	0	0	0	116.6	Q569 I727 I728 R733	Q569-P730 VanDerWaalsContact OE1-CD 3.3Å; I727-P730 HydrophobicContact CD1-CG 4.1Å; I728-P730 WeakPolarHBondContact O-CD 3.46Å; P730-R733 PolarHBondContact O-NE 3.35Å
731	S	88.8	Confident	93.4	Very high	108 Å²	108	40.6 Å²	40.6	76%	0.755	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-84.1	-9	-176.8	54.5	0	0	0	0	115.5	V729	V729-S731 WeakPolarHBondContact CG1-OG 3.42Å; V729-S731 PolarHBondContact O-N 3.46Å
732	V	87.3	Confident	93.5	Very high	63 Å²	63	39.1 Å²	39.1	38%	0.382	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-106.8	15.8	175.7	-57	0	0	0	0	112.8	I728 V729 Q935	I728-V732 HydrophobicContact CG2-CG2 4.12Å; V729-V732 HydrophobicContact CB-CG2 4.09Å; V729-V732 HydrophobicContact CG1-CG2 4.43Å; V729-V732 WeakPolarHBondContact O-CG2 3.28Å; V729-V732 PolarHBondContact O-N 3.39Å; V729-V732 VanDerWaalsContact O-N 3.16Å; V732-Q935 PolarHBondContact O-NE2 3.03Å
733	R	86	Confident	93.7	Very high	66 Å²	66	38.7 Å²	38.7	25%	0.249	21%	0.207	C	C	.	.	S	Bend	trans	-85.9	140.3	179.4	-68.1	-174.6	-58.9	162.3	5.8	110.9	I728 P730 F737 A770	I728-R733 HydrophobicContact CB-CG 4.39Å; I728-R733 HydrophobicContact CG2-CG 3.79Å; P730-R733 PolarHBondContact O-NE 3.35Å; R733-F737 HydrophobicContact CB-CB 4.18Å; R733-F737 HydrophobicContact CB-CD2 3.63Å; R733-F737 HydrophobicContact CB-CE2 4.24Å; R733-F737 HydrophobicContact CB-CG 4.04Å; R733-F737 HydrophobicContact CG-CD2 4.28Å; R733-A770 PolarHBondContact NH1-O 3.09Å
734	P	88	Confident	93.9	Very high	15 Å²	15	38.6 Å²	38.6	10%	0.097	21%	0.206	C	C	.	.			trans	-57.2	161.1	176.2	-26.6	34.7	0	0	0	114.1	V736 F737 L932	P734-V736 HydrophobicContact CB-CG1 4.31Å; P734-V736 PolarHBondContact O-N 3.23Å; P734-F737 WeakPolarHBondContact O-CD2 3.45Å; P734-F737 PolarHBondContact O-N 2.71Å; P734-F737 VanDerWaalsContact O-N 3.08Å; P734-L932 HydrophobicContact CG-CB 4.33Å; P734-L932 HydrophobicContact CG-CD1 4.44Å
735	A	90.6	Very high	94	Very high	49 Å²	49	37.4 Å²	37.4	41%	0.405	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-58.2	-23.7	-174.2	0	0	0	0	0	114.4	F737 R738	A735-F737 PolarHBondContact O-N 3.2Å; A735-R738 WeakPolarHBondContact O-CB 3.44Å; A735-R738 VanDerWaalsContact O-CG 3.3Å; A735-R738 WeakPolarHBondContact O-CG 3.45Å; A735-R738 PolarHBondContact O-N 3.13Å
736	V	93	Very high	94	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-50.9	-27.6	173.5	75.8	0	0	0	0	113.6	P734 R738 V741 F924 L932	P734-V736 HydrophobicContact CB-CG1 4.31Å; P734-V736 PolarHBondContact O-N 3.23Å; V736-R738 VanDerWaalsContact C-N 3.31Å; V736-R738 PolarHBondContact O-N 2.89Å; V736-V741 HydrophobicContact CG2-CB 4.35Å; V736-V741 HydrophobicContact CG2-CG1 4.49Å; V736-V741 HydrophobicContact CG2-CG2 4Å; V736-F924 HydrophobicContact CB-CE1 4.2Å; V736-F924 HydrophobicContact CB-CZ 4.14Å; V736-F924 HydrophobicContact CG2-CE1 4.33Å; V736-F924 HydrophobicContact CG2-CZ 3.76Å; V736-L932 HydrophobicContact CG1-CD1 4.07Å; V736-L932 HydrophobicContact CG1-CD2 4.21Å
737	F	93.3	Very high	94.1	Very high	24 Å²	24	37 Å²	37	11%	0.105	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-82.8	2.2	-178.9	-72.7	-77.7	0	0	0	115	R733 P734 A735 E739 V741 F743 P772 L932	R733-F737 HydrophobicContact CB-CB 4.18Å; R733-F737 HydrophobicContact CB-CD2 3.63Å; R733-F737 HydrophobicContact CB-CE2 4.24Å; R733-F737 HydrophobicContact CB-CG 4.04Å; R733-F737 HydrophobicContact CG-CD2 4.28Å; P734-F737 WeakPolarHBondContact O-CD2 3.45Å; P734-F737 PolarHBondContact O-N 2.71Å; P734-F737 VanDerWaalsContact O-N 3.08Å; A735-F737 PolarHBondContact O-N 3.2Å; F737-E739 VanDerWaalsContact C-N 3.34Å; F737-V741 HydrophobicContact CD1-CG1 4.09Å; F737-V741 HydrophobicContact CE1-CG1 4.33Å; F737-F743 HydrophobicContact CD1-CE2 4.43Å; F737-F743 AromaticContact CE1-CE2 3.45Å; F737-F743 HydrophobicContact CE1-CE2 3.45Å; F737-F743 VanDerWaalsContact CE1-CE2 3.45Å; F737-F743 AromaticContact CE1-CZ 3.65Å; F737-F743 HydrophobicContact CE1-CZ 3.65Å; F737-F743 HydrophobicContact CE2-CZ 4.16Å; F737-F743 HydrophobicContact CZ-CE1 4.41Å; F737-F743 AromaticContact CZ-CE2 3.66Å; F737-F743 HydrophobicContact CZ-CE2 3.66Å; F737-F743 AromaticContact CZ-CZ 3.41Å; F737-F743 HydrophobicContact CZ-CZ 3.41Å; F737-F743 VanDerWaalsContact CZ-CZ 3.41Å; F737-P772 VanDerWaalsContact CE1-CD 3.41Å; F737-P772 HydrophobicContact CE1-CG 3.8Å; F737-P772 HydrophobicContact CZ-CG 3.92Å; F737-L932 HydrophobicContact CE2-CD1 3.61Å; F737-L932 HydrophobicContact CZ-CD1 4.06Å
738	R	91.9	Very high	94.1	Very high	218 Å²	218	37 Å²	37	82%	0.823	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-74.5	-25.4	175.9	-68.2	175.4	-178.7	177	1.7	113	A735 V736	A735-R738 WeakPolarHBondContact O-CB 3.44Å; A735-R738 VanDerWaalsContact O-CG 3.3Å; A735-R738 WeakPolarHBondContact O-CG 3.45Å; A735-R738 PolarHBondContact O-N 3.13Å; V736-R738 VanDerWaalsContact C-N 3.31Å; V736-R738 PolarHBondContact O-N 2.89Å
739	E	94.3	Very high	93.9	Very high	94 Å²	94	37.7 Å²	37.7	44%	0.439	20%	0.201	S	C	.	.	S	Bend	trans	-122.8	162.7	178.3	-67.1	167.3	-170.6	0	0	109.4	F737 V741 T812 R813	F737-E739 VanDerWaalsContact C-N 3.34Å; E739-V741 PolarHBondContact O-N 2.8Å; E739-T812 HydrophobicContact CB-CG2 4.21Å; E739-T812 WeakPolarHBondContact CB-OG1 3.36Å; E739-R813 IonicContact OE2-CZ 3.4Å; E739-R813 IonicContact OE2-NH1 3.38Å; E739-R813 PolarHBondContact OE2-NH1 2.84Å; E739-R813 IonicContact OE2-NH2 3.59Å; E739-R813 PolarHBondContact OE2-NH2 2.78Å
740	P	97	Very high	93.7	Very high	36 Å²	36	40.6 Å²	40.6	23%	0.234	21%	0.214	C	C	.	.			trans	-59.3	124.7	178.8	-24.8	34.6	0	0	0	112	F809 K810 P811 T812	P740-F809 HydrophobicContact CB-CB 3.77Å; P740-F809 HydrophobicContact CB-CG 4.37Å; P740-F809 HydrophobicContact CG-CB 3.65Å; P740-F809 HydrophobicContact CG-CD1 3.68Å; P740-F809 HydrophobicContact CG-CG 3.78Å; P740-K810 WeakPolarHBondContact CB-O 3.21Å; P740-P811 CarbonylContact O-C 3.57Å; P740-T812 PolarHBondContact O-N 3.21Å; P740-T812 PolarHBondContact O-OG1 3.22Å
741	V	97.9	Very high	93.5	Very high	10 Å²	10	38.2 Å²	38.2	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.2	-179.5	50.5	0	0	0	0	109.8	V736 F737 E739 F743 R813 I815	V736-V741 HydrophobicContact CG2-CB 4.35Å; V736-V741 HydrophobicContact CG2-CG1 4.49Å; V736-V741 HydrophobicContact CG2-CG2 4Å; F737-V741 HydrophobicContact CD1-CG1 4.09Å; F737-V741 HydrophobicContact CE1-CG1 4.33Å; E739-V741 PolarHBondContact O-N 2.8Å; V741-F743 HydrophobicContact CB-CE2 4.36Å; V741-F743 HydrophobicContact CG1-CE2 3.7Å; V741-F743 HydrophobicContact CG1-CZ 3.96Å; V741-F743 HydrophobicContact CG2-CD2 4.45Å; V741-F743 HydrophobicContact CG2-CE1 4.29Å; V741-F743 HydrophobicContact CG2-CE2 3.82Å; V741-F743 HydrophobicContact CG2-CZ 3.73Å; V741-R813 WeakPolarHBondContact CA-O 3.28Å; V741-R813 HydrophobicContact CB-CB 4.29Å; V741-R813 HydrophobicContact CG2-CB 4.03Å; V741-I815 HydrophobicContact CG2-CG1 3.8Å
742	I	98.5	Very high	93.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.7	176.3	-164	173.2	0	0	0	110.6	L744 A766 L800 F803 P811 R813 I814 I815	I742-L744 HydrophobicContact CD1-CD2 4.15Å; I742-L744 HydrophobicContact CG1-CD2 4.13Å; I742-A766 HydrophobicContact CD1-CB 3.82Å; I742-A766 HydrophobicContact CG1-CB 4.04Å; I742-L800 HydrophobicContact CD1-CD2 4.16Å; I742-L800 HydrophobicContact CG2-CD2 4.33Å; I742-F803 HydrophobicContact CB-CD2 4.1Å; I742-F803 HydrophobicContact CB-CE2 4.12Å; I742-F803 HydrophobicContact CD1-CB 3.7Å; I742-F803 HydrophobicContact CD1-CD2 3.67Å; I742-F803 HydrophobicContact CD1-CG 3.84Å; I742-F803 HydrophobicContact CG1-CD2 3.71Å; I742-F803 HydrophobicContact CG1-CE2 4.13Å; I742-F803 HydrophobicContact CG1-CG 4.34Å; I742-P811 HydrophobicContact CB-CB 4.06Å; I742-P811 HydrophobicContact CB-CG 3.82Å; I742-P811 HydrophobicContact CD1-CG 4.36Å; I742-P811 HydrophobicContact CG2-CB 3.76Å; I742-P811 HydrophobicContact CG2-CG 3.79Å; I742-R813 PolarHBondContact N-O 3.1Å; I742-I814 HydrophobicContact CG2-CB 4.18Å; I742-I814 HydrophobicContact CG2-CG1 3.79Å; I742-I814 HydrophobicContact CG2-CG2 4.19Å; I742-I815 PolarHBondContact O-N 2.79Å
743	F	98.7	Very high	92.5	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	110.6	178.5	-63.1	-85.7	0	0	0	109.3	F737 V741 A766 S767 P772 I815 L932 L936	F737-F743 HydrophobicContact CD1-CE2 4.43Å; F737-F743 AromaticContact CE1-CE2 3.45Å; F737-F743 HydrophobicContact CE1-CE2 3.45Å; F737-F743 VanDerWaalsContact CE1-CE2 3.45Å; F737-F743 AromaticContact CE1-CZ 3.65Å; F737-F743 HydrophobicContact CE1-CZ 3.65Å; F737-F743 HydrophobicContact CE2-CZ 4.16Å; F737-F743 HydrophobicContact CZ-CE1 4.41Å; F737-F743 AromaticContact CZ-CE2 3.66Å; F737-F743 HydrophobicContact CZ-CE2 3.66Å; F737-F743 AromaticContact CZ-CZ 3.41Å; F737-F743 HydrophobicContact CZ-CZ 3.41Å; F737-F743 VanDerWaalsContact CZ-CZ 3.41Å; V741-F743 HydrophobicContact CB-CE2 4.36Å; V741-F743 HydrophobicContact CG1-CE2 3.7Å; V741-F743 HydrophobicContact CG1-CZ 3.96Å; V741-F743 HydrophobicContact CG2-CD2 4.45Å; V741-F743 HydrophobicContact CG2-CE1 4.29Å; V741-F743 HydrophobicContact CG2-CE2 3.82Å; V741-F743 HydrophobicContact CG2-CZ 3.73Å; F743-A766 WeakPolarHBondContact O-CA 3.25Å; F743-S767 PolarHBondContact N-OG 2.85Å; F743-S767 PolarHBondContact O-N 2.95Å; F743-P772 HydrophobicContact CD2-CB 3.69Å; F743-P772 HydrophobicContact CD2-CG 3.67Å; F743-P772 HydrophobicContact CE2-CB 4.26Å; F743-P772 HydrophobicContact CE2-CG 3.74Å; F743-P772 HydrophobicContact CG-CB 4.33Å; F743-P772 HydrophobicContact CG-CG 4.41Å; F743-I815 HydrophobicContact CD1-CB 3.85Å; F743-I815 HydrophobicContact CD1-CG1 4.14Å; F743-I815 HydrophobicContact CD1-CG2 4.24Å; F743-I815 HydrophobicContact CE1-CB 4.05Å; F743-I815 HydrophobicContact CE1-CG1 3.86Å; F743-I815 HydrophobicContact CE1-CG2 4.39Å; F743-L932 HydrophobicContact CE1-CD1 3.85Å; F743-L932 HydrophobicContact CE1-CD2 4.14Å; F743-L932 HydrophobicContact CE1-CG 4.28Å; F743-L932 HydrophobicContact CZ-CD1 4.09Å; F743-L936 HydrophobicContact CD1-CD1 3.67Å; F743-L936 HydrophobicContact CD1-CD2 4.22Å; F743-L936 HydrophobicContact CE1-CD1 3.96Å; F743-L936 HydrophobicContact CG-CD2 4.38Å
744	L	98.8	Very high	91.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	145.5	177.3	-56.6	-174.5	0	0	0	110.5	I742 V765 A766 V796 I814 I815 Y816 Y817	I742-L744 HydrophobicContact CD1-CD2 4.15Å; I742-L744 HydrophobicContact CG1-CD2 4.13Å; L744-V765 VanDerWaalsContact CA-O 3.27Å; L744-V765 WeakPolarHBondContact CA-O 3.41Å; L744-A766 HydrophobicContact CD2-CB 3.35Å; L744-V796 HydrophobicContact CD1-CG1 4.48Å; L744-V796 HydrophobicContact CD1-CG2 4.29Å; L744-I814 HydrophobicContact CD1-CG2 3.45Å; L744-I814 VanDerWaalsContact CD1-CG2 3.45Å; L744-I814 HydrophobicContact CG-CG2 3.93Å; L744-I815 PolarHBondContact N-O 3.29Å; L744-Y816 HydrophobicContact CB-CD2 3.67Å; L744-Y816 HydrophobicContact CB-CE2 4.5Å; L744-Y816 HydrophobicContact CD1-CD2 3.87Å; L744-Y816 HydrophobicContact CG-CD2 4.42Å; L744-Y817 PolarHBondContact O-N 2.87Å
745	G	98.6	Very high	91.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.2	171.3	0	0	0	0	0	110.7	V764 V765 Y817 A956	G745-V764 CarbonylContact O-C 3.58Å; G745-V764 VanDerWaalsContact O-CA 3.27Å; G745-V764 WeakPolarHBondContact O-CA 3.49Å; G745-V765 PolarHBondContact N-O 3.49Å; G745-V765 PolarHBondContact O-N 3.1Å; G745-Y817 CarbonylContact C-O 3.46Å; G745-Y817 WeakPolarHBondContact CA-O 3.47Å; G745-A956 WeakPolarHBondContact O-CB 3.29Å
746	A	98.5	Very high	90.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.9	-175.2	0	0	0	0	0	112.8	A763 V764 I789 Y816 Y817 D819	A746-A763 WeakPolarHBondContact CA-O 3.19Å; A746-V764 HydrophobicContact CB-CG2 4.09Å; A746-I789 HydrophobicContact CB-CD1 3.87Å; A746-Y816 HydrophobicContact CB-CE2 3.74Å; A746-Y816 WeakPolarHBondContact CB-OH 3.15Å; A746-Y817 PolarHBondContact N-O 2.98Å; A746-D819 PolarHBondContact O-N 2.86Å
747	D	97.4	Very high	90.3	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.053	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.7	176.8	172.8	61.8	0	0	0	110.7	T749 A763 A956 H957 A960	D747-T749 PolarHBondContact OD2-N 3.45Å; D747-T749 PolarHBondContact OD2-OG1 2.83Å; D747-A763 PolarHBondContact N-O 3.33Å; D747-A763 VanDerWaalsContact N-O 3.09Å; D747-A763 PolarHBondContact O-N 3.2Å; D747-A956 HydrophobicContact CB-CB 3.9Å; D747-H957 HydrophobicContact CB-CB 4.29Å; D747-A960 WeakPolarHBondContact OD2-CB 3.3Å
748	V	95.8	Very high	90	Very high	8 Å²	8	53 Å²	53	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	92.3	171.6	-177.2	0	0	0	0	111	H750 I761 A762 Q786 E787 I789	V748-H750 PolarHBondContact O-N 3.15Å; V748-H750 PolarHBondContact O-ND1 2.94Å; V748-I761 CarbonylContact C-O 3.54Å; V748-I761 WeakPolarHBondContact CA-O 3.43Å; V748-A762 HydrophobicContact CG2-CB 4.15Å; V748-Q786 WeakPolarHBondContact CG1-O 3.44Å; V748-E787 WeakPolarHBondContact CG2-O 3.5Å; V748-I789 HydrophobicContact CG2-CD1 4.06Å; V748-I789 HydrophobicContact CG2-CG1 3.51Å
749	T	92.5	Very high	89.9	Confident	17 Å²	17	43.1 Å²	43.1	10%	0.104	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	97.1	178.1	-72.1	0	0	0	0	111.2	D747 I761 F961 R964	D747-T749 PolarHBondContact OD2-N 3.45Å; D747-T749 PolarHBondContact OD2-OG1 2.83Å; T749-I761 PolarHBondContact N-O 2.77Å; T749-I761 PolarHBondContact O-N 2.87Å; T749-F961 HydrophobicContact CG2-CD2 4.17Å; T749-F961 HydrophobicContact CG2-CE2 3.91Å; T749-F961 HydrophobicContact CG2-CZ 4.44Å; T749-R964 PolarHBondContact O-NH2 3.41Å
750	H	90.6	Very high	89.9	Confident	68 Å²	68	38.6 Å²	38.6	32%	0.315	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-57.7	157.1	169.8	-75.8	23.9	0	0	0	113.7	V748 E787	V748-H750 PolarHBondContact O-N 3.15Å; V748-H750 PolarHBondContact O-ND1 2.94Å; H750-E787 IonicContact CE1-OE2 3.5Å; H750-E787 PolarHBondContact CE1-OE2 3.08Å; H750-E787 IonicContact ND1-OE2 2.67Å; H750-E787 IonicContact NE2-OE2 3.91Å
751	P	86.2	Confident	89.8	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.032	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-72.8	159.7	169.6	33.6	-38.3	0	0	0	112.7	D755 K758 H784 R785	P751-D755 HydrophobicContact CB-CB 4.15Å; P751-K758 HydrophobicContact CB-CB 3.99Å; P751-K758 WeakPolarHBondContact CG-O 3.28Å; P751-H784 VanDerWaalsContact CG-CE1 3.41Å; P751-H784 WeakPolarHBondContact CG-CE1 3.42Å; P751-R785 HydrophobicContact CG-CG 4.44Å; P751-R785 PolarHBondContact O-NH1 2.76Å
752	P	80	Confident	89.7	Confident	86 Å²	86	36.4 Å²	36.4	56%	0.558	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-54.5	157.2	-177.8	-26.2	35.5	0	0	0	114.4	G754 D755 R785	P752-G754 PolarHBondContact O-N 3.14Å; P752-D755 VanDerWaalsContact O-CB 3.28Å; P752-D755 WeakPolarHBondContact O-CB 3.45Å; P752-D755 PolarHBondContact O-N 3.43Å; P752-D755 VanDerWaalsContact O-N 3.17Å; P752-R785 PolarHBondContact O-NH2 3.33Å
753	A	74.4	Confident	89.7	Confident	51 Å²	51	36.4 Å²	36.4	42%	0.421	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.3	175	0	0	0	0	0	111.1	I503 D755	I503-A753 HydrophobicContact CG2-CB 3.92Å; A753-D755 VanDerWaalsContact C-N 3.29Å; A753-D755 PolarHBondContact O-N 2.96Å
754	G	71.9	Confident	89.7	Confident	68 Å²	68	36.4 Å²	36.4	70%	0.701	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	-16.5	-176.1	0	0	0	0	0	115.5	P752	P752-G754 PolarHBondContact O-N 3.14Å
755	D	78.6	Confident	89.7	Confident	32 Å²	32	36.3 Å²	36.3	17%	0.171	21%	0.213	C	C	.	.			trans	-67.5	140.1	167.4	-162.9	-55.3	0	0	0	109.6	P751 P752 A753 T757 K758 H784 R785	P751-D755 HydrophobicContact CB-CB 4.15Å; P752-D755 VanDerWaalsContact O-CB 3.28Å; P752-D755 WeakPolarHBondContact O-CB 3.45Å; P752-D755 PolarHBondContact O-N 3.43Å; P752-D755 VanDerWaalsContact O-N 3.17Å; A753-D755 VanDerWaalsContact C-N 3.29Å; A753-D755 PolarHBondContact O-N 2.96Å; D755-T757 PolarHBondContact OD1-N 3.47Å; D755-K758 PolarHBondContact OD1-N 2.87Å; D755-K758 WeakPolarHBondContact OD2-CD 3.44Å; D755-K758 VanDerWaalsContact OD2-CE 3.28Å; D755-K758 WeakPolarHBondContact OD2-CE 3.48Å; D755-K758 WeakPolarHBondContact OD2-CG 3.37Å; D755-H784 PolarHBondContact O-CE1 2.85Å; D755-H784 PolarHBondContact O-NE2 2.85Å; D755-R785 PolarHBondContact O-NH2 2.89Å
756	K	79.2	Confident	89.6	Confident	179 Å²	179	36.3 Å²	36.3	78%	0.778	21%	0.213	S	C	*	.			trans	-123.2	-10.5	-177	-69.7	-172.4	175.4	-173.2	0	114.4	H784	K756-H784 VanDerWaalsContact C-CE1 3.45Å; K756-H784 VanDerWaalsContact CA-CE1 3.49Å; K756-H784 WeakPolarHBondContact CA-CE1 3.33Å
757	T	82.9	Confident	89.6	Confident	124 Å²	124	36.3 Å²	36.3	76%	0.761	21%	0.213	S	C	*	.	S	Bend	trans	-123.1	-27.8	-165.9	56.1	0	0	0	0	113.3	D755	D755-T757 PolarHBondContact OD1-N 3.47Å
758	K	86.1	Confident	89.6	Confident	104 Å²	104	36.7 Å²	36.7	45%	0.452	21%	0.214	S	C	.	.	S	Bend	trans	-74.2	140.7	-177.4	-61.3	-175.2	-164.2	-175.6	0	110.5	P751 D755 H784	P751-K758 HydrophobicContact CB-CB 3.99Å; P751-K758 WeakPolarHBondContact CG-O 3.28Å; D755-K758 PolarHBondContact OD1-N 2.87Å; D755-K758 WeakPolarHBondContact OD2-CD 3.44Å; D755-K758 VanDerWaalsContact OD2-CE 3.28Å; D755-K758 WeakPolarHBondContact OD2-CE 3.48Å; D755-K758 WeakPolarHBondContact OD2-CG 3.37Å; K758-H784 PolarHBondContact O-ND1 3.5Å
759	P	90.9	Very high	89.5	Confident	11 Å²	11	37.3 Å²	37.3	7%	0.071	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.5	159.2	-178.3	28.7	-36.8	0	0	0	111.8	V781 Q782 R964 L967 M992	P759-V781 HydrophobicContact CB-CB 4.19Å; P759-V781 HydrophobicContact CB-CG1 4.46Å; P759-V781 HydrophobicContact CG-CB 4.26Å; P759-V781 HydrophobicContact CG-CG1 4.04Å; P759-Q782 WeakPolarHBondContact CA-O 3.37Å; P759-Q782 VanDerWaalsContact CB-O 3.27Å; P759-Q782 WeakPolarHBondContact CB-O 3.4Å; P759-R964 VanDerWaalsContact O-CZ 3.29Å; P759-R964 PolarHBondContact O-NH1 2.99Å; P759-R964 PolarHBondContact O-NH2 3.27Å; P759-L967 HydrophobicContact CG-CD1 4.44Å; P759-M992 HydrophobicContact CG-CE 4.49Å; P759-M992 HydrophobicContact CG-SD 3.86Å
760	S	93.1	Very high	89.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	151.6	156.9	-79.4	0	0	0	0	109.2	Q782 R785 Q786	S760-Q782 PolarHBondContact N-O 3.45Å; S760-Q782 PolarHBondContact O-N 3.05Å; S760-R785 WeakPolarHBondContact OG-CA 3.16Å; S760-R785 PolarHBondContact OG-N 2.87Å; S760-R785 VanDerWaalsContact OG-N 3.14Å; S760-Q786 PolarHBondContact OG-O 3.49Å
761	I	95.2	Very high	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.9	174.9	-60.2	172.3	0	0	0	107.8	V748 T749 V779 V781 A960 A963 R964 L967	V748-I761 CarbonylContact C-O 3.54Å; V748-I761 WeakPolarHBondContact CA-O 3.43Å; T749-I761 PolarHBondContact N-O 2.77Å; T749-I761 PolarHBondContact O-N 2.87Å; I761-V779 HydrophobicContact CG2-CG2 3.56Å; I761-V781 HydrophobicContact CG1-CG1 4.44Å; I761-A960 HydrophobicContact CG2-CB 4.13Å; I761-A963 HydrophobicContact CD1-CB 4.25Å; I761-A963 HydrophobicContact CG2-CB 4Å; I761-R964 HydrophobicContact CD1-CB 3.75Å; I761-R964 HydrophobicContact CD1-CG 4.42Å; I761-R964 VanDerWaalsContact CD1-CZ 3.47Å; I761-L967 HydrophobicContact CD1-CD1 3.77Å; I761-L967 HydrophobicContact CG1-CD1 4.17Å
762	A	97	Very high	89.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.9	170.8	0	0	0	0	0	109.6	V748 V779 R780 I789	V748-A762 HydrophobicContact CG2-CB 4.15Å; A762-V779 WeakPolarHBondContact O-CA 3.38Å; A762-V779 WeakPolarHBondContact O-CG2 3.45Å; A762-R780 PolarHBondContact N-O 3.39Å; A762-R780 PolarHBondContact O-N 3.41Å; A762-I789 HydrophobicContact CB-CB 4.39Å; A762-I789 HydrophobicContact CB-CD1 4.42Å; A762-I789 HydrophobicContact CB-CG1 3.95Å; A762-I789 HydrophobicContact CB-CG2 3.86Å
763	A	97.8	Very high	90.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135	175.7	0	0	0	0	0	110.3	A746 D747 T778 V779 A956 V959 A960	A746-A763 WeakPolarHBondContact CA-O 3.19Å; D747-A763 PolarHBondContact N-O 3.33Å; D747-A763 VanDerWaalsContact N-O 3.09Å; D747-A763 PolarHBondContact O-N 3.2Å; A763-T778 WeakPolarHBondContact CA-O 3.45Å; A763-V779 HydrophobicContact CB-CG2 4.39Å; A763-A956 WeakPolarHBondContact CB-O 3.43Å; A763-V959 HydrophobicContact CB-CB 3.85Å; A763-V959 HydrophobicContact CB-CG1 3.64Å; A763-A960 HydrophobicContact CB-CB 3.84Å
764	V	98.4	Very high	91.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.5	175.2	-173.7	0	0	0	0	109.2	G745 A746 T778 I789 L792 M795 L799	G745-V764 CarbonylContact O-C 3.58Å; G745-V764 VanDerWaalsContact O-CA 3.27Å; G745-V764 WeakPolarHBondContact O-CA 3.49Å; A746-V764 HydrophobicContact CB-CG2 4.09Å; V764-T778 PolarHBondContact N-O 3.12Å; V764-T778 PolarHBondContact O-N 3.27Å; V764-T778 PolarHBondContact O-OG1 3.21Å; V764-I789 HydrophobicContact CG2-CD1 4Å; V764-L792 HydrophobicContact CG2-CD1 3.7Å; V764-M795 HydrophobicContact CB-CE 3.93Å; V764-M795 HydrophobicContact CG2-CE 3.69Å; V764-M795 HydrophobicContact CG2-SD 4.25Å; V764-L799 HydrophobicContact CB-CD1 4.16Å; V764-L799 HydrophobicContact CG1-CD1 3.72Å
765	V	98.2	Very high	92.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	157.8	175.5	-60.6	0	0	0	0	110.7	L744 G745 Y775 S776 A777 P952 A956 V959	L744-V765 VanDerWaalsContact CA-O 3.27Å; L744-V765 WeakPolarHBondContact CA-O 3.41Å; G745-V765 PolarHBondContact N-O 3.49Å; G745-V765 PolarHBondContact O-N 3.1Å; V765-Y775 HydrophobicContact CB-CD1 4.28Å; V765-Y775 HydrophobicContact CG2-CD1 4.04Å; V765-S776 CarbonylContact C-O 3.42Å; V765-S776 WeakPolarHBondContact CA-O 3.41Å; V765-S776 WeakPolarHBondContact CB-O 3.26Å; V765-A777 HydrophobicContact CG1-CB 4.02Å; V765-P952 HydrophobicContact CG2-CB 4.29Å; V765-P952 WeakPolarHBondContact CG2-O 3.45Å; V765-A956 HydrophobicContact CG2-CB 4.39Å; V765-V959 HydrophobicContact CG1-CG2 3.91Å
766	A	98.1	Very high	93.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.9	172.4	0	0	0	0	0	112.1	I742 F743 L744 M768 Y775 S776 L799	I742-A766 HydrophobicContact CD1-CB 3.82Å; I742-A766 HydrophobicContact CG1-CB 4.04Å; F743-A766 WeakPolarHBondContact O-CA 3.25Å; L744-A766 HydrophobicContact CD2-CB 3.35Å; A766-M768 HydrophobicContact CB-CE 3.7Å; A766-Y775 CarbonylContact O-C 3.14Å; A766-Y775 WeakPolarHBondContact O-CA 3.39Å; A766-S776 PolarHBondContact N-O 2.78Å; A766-S776 PolarHBondContact O-N 3.15Å; A766-L799 HydrophobicContact CB-CB 3.81Å; A766-L799 HydrophobicContact CB-CD1 4.05Å; A766-L799 HydrophobicContact CB-CD2 3.86Å; A766-L799 HydrophobicContact CB-CG 4.11Å
767	S	97.8	Very high	94.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	132.7	171.4	58.4	0	0	0	0	110.7	F743 R774 F803	F743-S767 PolarHBondContact N-OG 2.85Å; F743-S767 PolarHBondContact O-N 2.95Å; S767-R774 CarbonylContact C-O 3.54Å; S767-R774 WeakPolarHBondContact CA-O 3.46Å; S767-F803 VanDerWaalsContact O-CD2 3.26Å; S767-F803 WeakPolarHBondContact O-CD2 3.43Å
768	M	96.3	Very high	94.8	Very high	18 Å²	18	18.8 Å²	18.8	9%	0.089	10%	0.099	C	C	.	.			trans	-106.4	5.5	-177.1	-68.1	-70	110.8	0	0	113.8	A766 R774 S776 Q802 F803 A806 T807	A766-M768 HydrophobicContact CB-CE 3.7Å; M768-R774 HydrophobicContact CB-CB 4.46Å; M768-R774 PolarHBondContact N-O 3.36Å; M768-S776 WeakPolarHBondContact CG-OG 3.2Å; M768-Q802 HydrophobicContact CE-CB 4.19Å; M768-Q802 HydrophobicContact SD-CB 3.71Å; M768-F803 HydrophobicContact CE-CB 4.04Å; M768-A806 HydrophobicContact CB-CB 4.46Å; M768-T807 WeakPolarHBondContact O-CG2 3.37Å
769	D	94.1	Very high	95.3	Very high	21 Å²	21	14.3 Å²	14.3	11%	0.112	8%	0.08	C	C	.	.	S	Bend	trans	-142.9	168.3	178.5	63	52.7	0	0	0	111.2	H771 P772 S773 R774	D769-H771 PolarHBondContact O-N 2.93Å; D769-H771 VanDerWaalsContact OD1-CA 3.27Å; D769-H771 WeakPolarHBondContact OD1-CA 3.39Å; D769-H771 WeakPolarHBondContact OD1-CB 3.43Å; D769-H771 PolarHBondContact OD1-N 2.82Å; D769-P772 VanDerWaalsContact OD1-CA 3.26Å; D769-P772 WeakPolarHBondContact OD1-CA 3.44Å; D769-S773 PolarHBondContact OD1-N 2.92Å; D769-R774 VanDerWaalsContact OD2-CB 3.32Å; D769-R774 WeakPolarHBondContact OD2-CB 3.31Å; D769-R774 PolarHBondContact OD2-N 2.95Å
770	A	93.3	Very high	95.4	Very high	68 Å²	68	16.2 Å²	16.2	56%	0.562	9%	0.086	S	C	*	.	S	Bend	trans	-80.7	1.3	177	0	0	0	0	0	113.9	R733 P772	R733-A770 PolarHBondContact NH1-O 3.09Å; A770-P772 VanDerWaalsContact C-CD 3.47Å; A770-P772 WeakPolarHBondContact O-CD 3.38Å
771	H	90.8	Very high	95.5	Very high	53 Å²	53	17.1 Å²	17.1	25%	0.245	9%	0.091	C	C	.	.	S	Bend	trans	-96.1	13.2	177.3	-62	-58.6	0	0	0	113	F593 I727 D769 S773	F593-H771 AromaticContact CE1-NE2 3.98Å; I727-H771 HydrophobicContact CB-CB 4.04Å; I727-H771 HydrophobicContact CG2-CB 3.6Å; D769-H771 PolarHBondContact O-N 2.93Å; D769-H771 VanDerWaalsContact OD1-CA 3.27Å; D769-H771 WeakPolarHBondContact OD1-CA 3.39Å; D769-H771 WeakPolarHBondContact OD1-CB 3.43Å; D769-H771 PolarHBondContact OD1-N 2.82Å; H771-S773 PolarHBondContact O-N 2.83Å
772	P	90.4	Very high	95.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.095	C	C	.	.	S	Bend	trans	-11.6	76.6	-130.5	18.9	-36.8	0	0	0	114.9	F737 F743 D769 A770 Y775 L936	F737-P772 VanDerWaalsContact CE1-CD 3.41Å; F737-P772 HydrophobicContact CE1-CG 3.8Å; F737-P772 HydrophobicContact CZ-CG 3.92Å; F743-P772 HydrophobicContact CD2-CB 3.69Å; F743-P772 HydrophobicContact CD2-CG 3.67Å; F743-P772 HydrophobicContact CE2-CB 4.26Å; F743-P772 HydrophobicContact CE2-CG 3.74Å; F743-P772 HydrophobicContact CG-CB 4.33Å; F743-P772 HydrophobicContact CG-CG 4.41Å; D769-P772 VanDerWaalsContact OD1-CA 3.26Å; D769-P772 WeakPolarHBondContact OD1-CA 3.44Å; A770-P772 VanDerWaalsContact C-CD 3.47Å; A770-P772 WeakPolarHBondContact O-CD 3.38Å; P772-Y775 WeakPolarHBondContact O-CE2 3.38Å; P772-L936 HydrophobicContact CB-CD2 4.45Å; P772-L936 HydrophobicContact CG-CD2 3.97Å
773	S	93.3	Very high	95.1	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	12%	0.121	C	C	.	.			trans	-108.6	-48.9	-178.4	-158.3	0	0	0	0	112.6	S726 D769 H771 Y775	S726-S773 PolarHBondContact O-OG 3.3Å; S726-S773 VanDerWaalsContact O-OG 3.05Å; D769-S773 PolarHBondContact OD1-N 2.92Å; H771-S773 PolarHBondContact O-N 2.83Å; S773-Y775 WeakPolarHBondContact O-CD2 3.23Å
774	R	95.2	Very high	94.8	Very high	87 Å²	87	24.9 Å²	24.9	33%	0.328	14%	0.136	S	C	.	.			trans	-82.4	142.3	171.4	-67.4	-177.9	60.9	159.6	-7.5	111.2	G722 I724 S767 M768 D769 R1004	G722-R774 PolarHBondContact O-NH1 3.19Å; I724-R774 HydrophobicContact CG1-CG 4.16Å; S767-R774 CarbonylContact C-O 3.54Å; S767-R774 WeakPolarHBondContact CA-O 3.46Å; M768-R774 HydrophobicContact CB-CB 4.46Å; M768-R774 PolarHBondContact N-O 3.36Å; D769-R774 VanDerWaalsContact OD2-CB 3.32Å; D769-R774 WeakPolarHBondContact OD2-CB 3.31Å; D769-R774 PolarHBondContact OD2-N 2.95Å; R774-R1004 PolarHBondContact NH2-O 3.41Å
775	Y	97.2	Very high	94.3	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.6	175.8	-74	-106.2	0	0	0	111.7	V765 A766 P772 S773 P952 Y955 M1006	V765-Y775 HydrophobicContact CB-CD1 4.28Å; V765-Y775 HydrophobicContact CG2-CD1 4.04Å; A766-Y775 CarbonylContact O-C 3.14Å; A766-Y775 WeakPolarHBondContact O-CA 3.39Å; P772-Y775 WeakPolarHBondContact O-CE2 3.38Å; S773-Y775 WeakPolarHBondContact O-CD2 3.23Å; Y775-P952 HydrophobicContact CE1-CB 3.83Å; Y775-P952 HydrophobicContact CE1-CG 4.38Å; Y775-Y955 HydrophobicContact CD1-CD2 4.05Å; Y775-Y955 AromaticContact CD2-CD2 3.65Å; Y775-Y955 HydrophobicContact CD2-CD2 3.65Å; Y775-Y955 AromaticContact CD2-CE2 3.37Å; Y775-Y955 HydrophobicContact CD2-CE2 3.37Å; Y775-Y955 HydrophobicContact CE1-CD2 4.42Å; Y775-Y955 HydrophobicContact CE2-CD2 4.05Å; Y775-Y955 AromaticContact CE2-CE2 3.6Å; Y775-Y955 HydrophobicContact CE2-CE2 3.6Å; Y775-Y955 AromaticContact CG-CD2 3.67Å; Y775-Y955 HydrophobicContact CG-CD2 3.67Å; Y775-Y955 AromaticContact CG-CE2 3.92Å; Y775-Y955 HydrophobicContact CG-CE2 3.92Å; Y775-M1006 HydrophobicContact CD2-CE 4.32Å; Y775-M1006 PolarHBondContact N-SD 2.88Å; Y775-M1006 VanDerWaalsContact N-SD 3.36Å; Y775-M1006 WeakPolarHBondContact O-CG 3.43Å
776	S	95.8	Very high	94	Very high	8 Å²	8	31.9 Å²	31.9	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	163.4	162.4	-81.6	0	0	0	0	110.4	V765 A766 M768 Q802 L1003	V765-S776 CarbonylContact C-O 3.42Å; V765-S776 WeakPolarHBondContact CA-O 3.41Å; V765-S776 WeakPolarHBondContact CB-O 3.26Å; A766-S776 PolarHBondContact N-O 2.78Å; A766-S776 PolarHBondContact O-N 3.15Å; M768-S776 WeakPolarHBondContact CG-OG 3.2Å; S776-Q802 PolarHBondContact OG-OE1 2.81Å; S776-L1003 PolarHBondContact OG-O 2.84Å
777	A	96.3	Very high	93.9	Very high	5 Å²	5	33 Å²	33	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.9	-179.1	0	0	0	0	0	112.3	V765 V959 Y1007 F1008	V765-A777 HydrophobicContact CG1-CB 4.02Å; A777-V959 HydrophobicContact CB-CG1 4.18Å; A777-V959 HydrophobicContact CB-CG2 3.59Å; A777-Y1007 HydrophobicContact CB-CE1 4.21Å; A777-F1008 HydrophobicContact CB-CD1 4.07Å; A777-F1008 HydrophobicContact CB-CE1 3.79Å
778	T	95.9	Very high	93.8	Very high	10 Å²	10	35 Å²	35	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.5	164.2	56.3	0	0	0	0	108.7	A763 V764 M795 D798 L799	A763-T778 WeakPolarHBondContact CA-O 3.45Å; V764-T778 PolarHBondContact N-O 3.12Å; V764-T778 PolarHBondContact O-N 3.27Å; V764-T778 PolarHBondContact O-OG1 3.21Å; T778-M795 WeakPolarHBondContact O-CE 3.41Å; T778-M795 WeakPolarHBondContact OG1-CB 3.41Å; T778-M795 WeakPolarHBondContact OG1-CE 3.27Å; T778-D798 HydrophobicContact CG2-CB 4.06Å; T778-L799 HydrophobicContact CG2-CD1 4.26Å; T778-L799 HydrophobicContact CG2-CD2 3.98Å; T778-L799 HydrophobicContact CG2-CG 3.81Å
779	V	95.6	Very high	93.9	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.067	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146.5	-180	68	0	0	0	0	110	I761 A762 A763 V959 A963 V996	I761-V779 HydrophobicContact CG2-CG2 3.56Å; A762-V779 WeakPolarHBondContact O-CA 3.38Å; A762-V779 WeakPolarHBondContact O-CG2 3.45Å; A763-V779 HydrophobicContact CB-CG2 4.39Å; V779-V959 HydrophobicContact CB-CG1 3.93Å; V779-V959 HydrophobicContact CG2-CG1 4.21Å; V779-A963 HydrophobicContact CG2-CB 3.66Å; V779-V996 HydrophobicContact CG1-CB 4.04Å; V779-V996 HydrophobicContact CG1-CG2 4.14Å; V779-V996 WeakPolarHBondContact CG1-O 3.41Å
780	R	94.3	Very high	93.9	Very high	51 Å²	51	38.6 Å²	38.6	19%	0.192	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.9	178.3	-63.3	-68.5	-171.4	-85.6	-2.6	110.1	A762 D791 M795 D798	A762-R780 PolarHBondContact N-O 3.39Å; A762-R780 PolarHBondContact O-N 3.41Å; R780-D791 HydrophobicContact CB-CB 4.24Å; R780-D791 VanDerWaalsContact CD-OD2 3.25Å; R780-D791 WeakPolarHBondContact CD-OD2 3.3Å; R780-D791 HydrophobicContact CG-CB 3.7Å; R780-D791 WeakPolarHBondContact CG-OD2 3.35Å; R780-D791 IonicContact NE-OD2 3.45Å; R780-M795 HydrophobicContact CB-SD 4.13Å; R780-M795 HydrophobicContact CG-CE 4.17Å; R780-M795 HydrophobicContact CG-CG 3.86Å; R780-M795 HydrophobicContact CG-SD 3.53Å; R780-M795 VanDerWaalsContact CG-SD 3.53Å; R780-D798 IonicContact NH2-OD2 3.72Å; R780-D798 PolarHBondContact NH2-OD2 2.99Å
781	V	93.6	Very high	94	Very high	18 Å²	18	37.5 Å²	37.5	11%	0.109	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.2	168.4	-76.3	0	0	0	0	108.7	P759 I761 L967 M992 M993 V996	P759-V781 HydrophobicContact CB-CB 4.19Å; P759-V781 HydrophobicContact CB-CG1 4.46Å; P759-V781 HydrophobicContact CG-CB 4.26Å; P759-V781 HydrophobicContact CG-CG1 4.04Å; I761-V781 HydrophobicContact CG1-CG1 4.44Å; V781-L967 HydrophobicContact CG1-CD1 3.76Å; V781-M992 HydrophobicContact CG1-CB 4.42Å; V781-M992 HydrophobicContact CG2-CB 3.9Å; V781-M993 HydrophobicContact CG2-CG 3.71Å; V781-V996 HydrophobicContact CG1-CG1 4.22Å; V781-V996 HydrophobicContact CG1-CG2 4.41Å
782	Q	93	Very high	94.3	Very high	17 Å²	17	35 Å²	35	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	171.7	-179.7	70.2	-179.2	31.9	0	0	111.8	P759 S760 Q786 I788 H790	P759-Q782 WeakPolarHBondContact CA-O 3.37Å; P759-Q782 VanDerWaalsContact CB-O 3.27Å; P759-Q782 WeakPolarHBondContact CB-O 3.4Å; S760-Q782 PolarHBondContact N-O 3.45Å; S760-Q782 PolarHBondContact O-N 3.05Å; Q782-Q786 HydrophobicContact CG-CB 4.48Å; Q782-Q786 PolarHBondContact NE2-O 3.4Å; Q782-I788 PolarHBondContact NE2-O 2.81Å; Q782-I788 PolarHBondContact OE1-O 2.9Å; Q782-H790 VanDerWaalsContact OE1-N 3.12Å
783	S	92.3	Very high	94.6	Very high	78 Å²	78	37.7 Å²	37.7	55%	0.545	18%	0.179	S	C	.	.	S	Bend	trans	-51.5	148.7	-172	-52.2	0	0	0	0	113.5	R785 Q786	S783-R785 PolarHBondContact O-N 2.9Å; S783-R785 VanDerWaalsContact O-N 3.09Å; S783-Q786 VanDerWaalsContact CB-OE1 3.24Å; S783-Q786 WeakPolarHBondContact O-CB 3.38Å; S783-Q786 PolarHBondContact O-N 2.66Å; S783-Q786 PolarHBondContact OG-OE1 3.11Å
784	H	90	Very high	94.8	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.315	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	115.6	-174.4	-176	83.6	0	0	0	112.1	P751 D755 K756 K758 Q786	P751-H784 VanDerWaalsContact CG-CE1 3.41Å; P751-H784 WeakPolarHBondContact CG-CE1 3.42Å; D755-H784 PolarHBondContact O-CE1 2.85Å; D755-H784 PolarHBondContact O-NE2 2.85Å; K756-H784 VanDerWaalsContact C-CE1 3.45Å; K756-H784 VanDerWaalsContact CA-CE1 3.49Å; K756-H784 WeakPolarHBondContact CA-CE1 3.33Å; K758-H784 PolarHBondContact O-ND1 3.5Å; H784-Q786 PolarHBondContact O-N 2.89Å
785	R	89.3	Confident	94.9	Very high	96 Å²	96	35.2 Å²	35.2	36%	0.362	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	19.6	-178.4	-57.4	177.7	-168.1	-69.7	-11.4	115.3	P751 P752 D755 S760 S783 E787	P751-R785 HydrophobicContact CG-CG 4.44Å; P751-R785 PolarHBondContact O-NH1 2.76Å; P752-R785 PolarHBondContact O-NH2 3.33Å; D755-R785 PolarHBondContact O-NH2 2.89Å; S760-R785 WeakPolarHBondContact OG-CA 3.16Å; S760-R785 PolarHBondContact OG-N 2.87Å; S760-R785 VanDerWaalsContact OG-N 3.14Å; S783-R785 PolarHBondContact O-N 2.9Å; S783-R785 VanDerWaalsContact O-N 3.09Å; R785-E787 PolarHBondContact O-N 3.23Å
786	Q	92.3	Very high	95	Very high	52 Å²	52	35 Å²	35	24%	0.243	17%	0.174	C	C	.	.			trans	-67.6	126.6	162.2	-175.4	176.3	-2.3	0	0	108.9	V748 S760 Q782 S783 H784	V748-Q786 WeakPolarHBondContact CG1-O 3.44Å; S760-Q786 PolarHBondContact OG-O 3.49Å; Q782-Q786 HydrophobicContact CG-CB 4.48Å; Q782-Q786 PolarHBondContact NE2-O 3.4Å; S783-Q786 VanDerWaalsContact CB-OE1 3.24Å; S783-Q786 WeakPolarHBondContact O-CB 3.38Å; S783-Q786 PolarHBondContact O-N 2.66Å; S783-Q786 PolarHBondContact OG-OE1 3.11Å; H784-Q786 PolarHBondContact O-N 2.89Å
787	E	94.4	Very high	95	Very high	22 Å²	22	37.3 Å²	37.3	10%	0.103	18%	0.181	C	C	.	.			trans	-93.9	-38.1	178.6	-179.5	52.8	-140.3	0	0	112.6	V748 H750 R785 I789 R818	V748-E787 WeakPolarHBondContact CG2-O 3.5Å; H750-E787 IonicContact CE1-OE2 3.5Å; H750-E787 PolarHBondContact CE1-OE2 3.08Å; H750-E787 IonicContact ND1-OE2 2.67Å; H750-E787 IonicContact NE2-OE2 3.91Å; R785-E787 PolarHBondContact O-N 3.23Å; E787-I789 PolarHBondContact O-N 3.26Å; E787-R818 PolarHBondContact O-NH2 2.97Å; E787-R818 IonicContact OE1-CZ 3.65Å; E787-R818 IonicContact OE1-NH1 3.11Å; E787-R818 PolarHBondContact OE1-NH1 3.37Å; E787-R818 IonicContact OE1-NH2 3.86Å; E787-R818 PolarHBondContact OE1-NH2 2.98Å; E787-R818 VanDerWaalsContact OE1-NH2 3.08Å
788	I	96.4	Very high	95	Very high	44 Å²	44	39.2 Å²	39.2	23%	0.226	19%	0.19	C	C	.	.	S	Bend	trans	-60.8	130.7	174.2	-64.9	172.3	0	0	0	109.3	Q782 H790 N828 V829 H832	Q782-I788 PolarHBondContact NE2-O 2.81Å; Q782-I788 PolarHBondContact OE1-O 2.9Å; I788-H790 PolarHBondContact O-N 2.92Å; I788-N828 HydrophobicContact CD1-CB 4.46Å; I788-V829 HydrophobicContact CG1-CG2 3.91Å; I788-H832 HydrophobicContact CG2-CB 3.72Å; I788-H832 VanDerWaalsContact CG2-ND1 3.33Å; I788-H832 WeakPolarHBondContact CG2-ND1 3.38Å
789	I	97.5	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.			trans	-72.7	109.2	173.4	-60.3	177.1	0	0	0	108.9	A746 V748 A762 V764 E787 L792 M795 H832 E833	A746-I789 HydrophobicContact CB-CD1 3.87Å; V748-I789 HydrophobicContact CG2-CD1 4.06Å; V748-I789 HydrophobicContact CG2-CG1 3.51Å; A762-I789 HydrophobicContact CB-CB 4.39Å; A762-I789 HydrophobicContact CB-CD1 4.42Å; A762-I789 HydrophobicContact CB-CG1 3.95Å; A762-I789 HydrophobicContact CB-CG2 3.86Å; V764-I789 HydrophobicContact CG2-CD1 4Å; E787-I789 PolarHBondContact O-N 3.26Å; I789-L792 HydrophobicContact CB-CB 4.21Å; I789-L792 HydrophobicContact CG2-CB 3.81Å; I789-L792 HydrophobicContact CG2-CD1 4.15Å; I789-M795 HydrophobicContact CG2-SD 4.04Å; I789-H832 PolarHBondContact O-CE1 2.83Å; I789-H832 VanDerWaalsContact O-CE1 3.27Å; I789-H832 PolarHBondContact O-ND1 2.83Å; I789-E833 WeakPolarHBondContact CG1-OE1 3.48Å; I789-E833 PolarHBondContact N-OE1 2.88Å
790	H	94.7	Very high	95.2	Very high	113 Å²	113	38.4 Å²	38.4	52%	0.523	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-54.9	-176	-170.2	50.2	0	0	0	111.5	Q782 I788 L792	Q782-H790 VanDerWaalsContact OE1-N 3.12Å; I788-H790 PolarHBondContact O-N 2.92Å; H790-L792 PolarHBondContact O-N 3.02Å
791	D	95.1	Very high	95.3	Very high	45 Å²	45	36.2 Å²	36.2	24%	0.241	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	27.6	-177	-77.8	2.2	0	0	0	113.7	R780 Y793 P794 M795	R780-D791 HydrophobicContact CB-CB 4.24Å; R780-D791 VanDerWaalsContact CD-OD2 3.25Å; R780-D791 WeakPolarHBondContact CD-OD2 3.3Å; R780-D791 HydrophobicContact CG-CB 3.7Å; R780-D791 WeakPolarHBondContact CG-OD2 3.35Å; R780-D791 IonicContact NE-OD2 3.45Å; D791-Y793 VanDerWaalsContact C-N 3.31Å; D791-Y793 PolarHBondContact O-N 2.89Å; D791-P794 HydrophobicContact CB-CG 4.1Å; D791-P794 WeakPolarHBondContact O-CD 3.37Å; D791-P794 VanDerWaalsContact O-CG 3.26Å; D791-P794 WeakPolarHBondContact O-CG 3.34Å; D791-M795 HydrophobicContact CB-CG 4.5Å; D791-M795 HydrophobicContact CB-SD 4.26Å; D791-M795 WeakPolarHBondContact O-CB 3.32Å; D791-M795 WeakPolarHBondContact O-CG 3.47Å; D791-M795 PolarHBondContact O-N 2.82Å
792	L	97.7	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-35.5	-173.6	-172.3	62.1	0	0	0	112.5	V764 I789 H790 M795 V796 Y816 E833 A836 I837	V764-L792 HydrophobicContact CG2-CD1 3.7Å; I789-L792 HydrophobicContact CB-CB 4.21Å; I789-L792 HydrophobicContact CG2-CB 3.81Å; I789-L792 HydrophobicContact CG2-CD1 4.15Å; H790-L792 PolarHBondContact O-N 3.02Å; L792-M795 PolarHBondContact O-N 2.98Å; L792-V796 HydrophobicContact CD1-CG2 3.69Å; L792-V796 HydrophobicContact CG-CG2 3.93Å; L792-V796 WeakPolarHBondContact O-CB 3.2Å; L792-V796 VanDerWaalsContact O-CG2 3.31Å; L792-V796 WeakPolarHBondContact O-CG2 3.41Å; L792-V796 PolarHBondContact O-N 2.63Å; L792-Y816 HydrophobicContact CD1-CE2 4.25Å; L792-Y816 HydrophobicContact CD2-CE2 4.47Å; L792-E833 HydrophobicContact CD2-CB 3.45Å; L792-E833 VanDerWaalsContact CD2-CB 3.45Å; L792-E833 HydrophobicContact CD2-CG 3.69Å; L792-E833 WeakPolarHBondContact CD2-O 3.48Å; L792-A836 HydrophobicContact CB-CB 3.87Å; L792-A836 HydrophobicContact CD2-CB 4.33Å; L792-A836 HydrophobicContact CG-CB 4.27Å; L792-I837 HydrophobicContact CD2-CD1 4.23Å; L792-I837 HydrophobicContact CD2-CG1 3.95Å; L792-I837 HydrophobicContact CG-CG1 4.44Å
793	Y	97	Very high	95.5	Very high	58 Å²	58	36.4 Å²	36.4	23%	0.227	18%	0.177	C	C	.	.	H	α-helix	trans	-54.7	-60.3	177	156.4	-119.7	0	0	0	112.4	D791 M795 V796 R797 E839 A840 K843	D791-Y793 VanDerWaalsContact C-N 3.31Å; D791-Y793 PolarHBondContact O-N 2.89Å; Y793-M795 VanDerWaalsContact C-N 3.34Å; Y793-M795 PolarHBondContact O-N 2.8Å; Y793-V796 PolarHBondContact O-N 3.42Å; Y793-R797 HydrophobicContact CE2-CB 4.45Å; Y793-R797 WeakPolarHBondContact O-CB 3.44Å; Y793-R797 PolarHBondContact O-N 3.44Å; Y793-E839 HydrophobicContact CD2-CB 4.28Å; Y793-E839 HydrophobicContact CD2-CG 3.88Å; Y793-E839 HydrophobicContact CE2-CG 4.22Å; Y793-E839 HydrophobicContact CG-CG 4.24Å; Y793-A840 HydrophobicContact CD2-CB 3.9Å; Y793-A840 HydrophobicContact CE2-CB 4.44Å; Y793-K843 HydrophobicContact CE1-CD 4.36Å; Y793-K843 HydrophobicContact CE2-CB 4.04Å; Y793-K843 HydrophobicContact CE2-CD 3.86Å; Y793-K843 HydrophobicContact CE2-CG 4.47Å; Y793-K843 WeakPolarHBondContact OH-CD 3.15Å
794	P	97	Very high	95.7	Very high	39 Å²	39	35.5 Å²	35.5	25%	0.253	16%	0.162	S	C	.	.	H	α-helix	trans	-65.6	-35.6	179.2	25.5	-34.8	0	0	0	112.5	D791 V796 R797 D798	D791-P794 HydrophobicContact CB-CG 4.1Å; D791-P794 WeakPolarHBondContact O-CD 3.37Å; D791-P794 VanDerWaalsContact O-CG 3.26Å; D791-P794 WeakPolarHBondContact O-CG 3.34Å; P794-V796 PolarHBondContact O-N 3.22Å; P794-R797 PolarHBondContact O-N 3.29Å; P794-D798 WeakPolarHBondContact O-CB 3.29Å; P794-D798 PolarHBondContact O-N 2.74Å
795	M	97.5	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-45.3	177	-70.1	173.7	86.2	0	0	111.9	V764 T778 R780 I789 D791 L792 Y793 L799	V764-M795 HydrophobicContact CB-CE 3.93Å; V764-M795 HydrophobicContact CG2-CE 3.69Å; V764-M795 HydrophobicContact CG2-SD 4.25Å; T778-M795 WeakPolarHBondContact O-CE 3.41Å; T778-M795 WeakPolarHBondContact OG1-CB 3.41Å; T778-M795 WeakPolarHBondContact OG1-CE 3.27Å; R780-M795 HydrophobicContact CB-SD 4.13Å; R780-M795 HydrophobicContact CG-CE 4.17Å; R780-M795 HydrophobicContact CG-CG 3.86Å; R780-M795 HydrophobicContact CG-SD 3.53Å; R780-M795 VanDerWaalsContact CG-SD 3.53Å; I789-M795 HydrophobicContact CG2-SD 4.04Å; D791-M795 HydrophobicContact CB-CG 4.5Å; D791-M795 HydrophobicContact CB-SD 4.26Å; D791-M795 WeakPolarHBondContact O-CB 3.32Å; D791-M795 WeakPolarHBondContact O-CG 3.47Å; D791-M795 PolarHBondContact O-N 2.82Å; L792-M795 PolarHBondContact O-N 2.98Å; Y793-M795 VanDerWaalsContact C-N 3.34Å; Y793-M795 PolarHBondContact O-N 2.8Å; M795-L799 WeakPolarHBondContact O-CD1 3.32Å; M795-L799 VanDerWaalsContact O-CG 3.25Å; M795-L799 WeakPolarHBondContact O-CG 3.37Å; M795-L799 PolarHBondContact O-N 2.84Å
796	V	98.4	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.7	-39.8	177.7	174.2	0	0	0	0	111.2	L744 L792 Y793 P794 D798 L799 L800 I837 A840	L744-V796 HydrophobicContact CD1-CG1 4.48Å; L744-V796 HydrophobicContact CD1-CG2 4.29Å; L792-V796 HydrophobicContact CD1-CG2 3.69Å; L792-V796 HydrophobicContact CG-CG2 3.93Å; L792-V796 WeakPolarHBondContact O-CB 3.2Å; L792-V796 VanDerWaalsContact O-CG2 3.31Å; L792-V796 WeakPolarHBondContact O-CG2 3.41Å; L792-V796 PolarHBondContact O-N 2.63Å; Y793-V796 PolarHBondContact O-N 3.42Å; P794-V796 PolarHBondContact O-N 3.22Å; V796-D798 PolarHBondContact O-N 2.83Å; V796-L799 PolarHBondContact O-N 3.22Å; V796-L800 HydrophobicContact CG1-CD1 3.84Å; V796-L800 HydrophobicContact CG1-CG 4.18Å; V796-L800 WeakPolarHBondContact O-CB 3.44Å; V796-L800 WeakPolarHBondContact O-CG 3.5Å; V796-L800 PolarHBondContact O-N 3.45Å; V796-I837 HydrophobicContact CG1-CG2 4.46Å; V796-I837 HydrophobicContact CG2-CG1 4.17Å; V796-A840 HydrophobicContact CB-CB 3.84Å; V796-A840 HydrophobicContact CG1-CB 3.68Å
797	R	97.8	Very high	96.3	Very high	56 Å²	56	34.5 Å²	34.5	21%	0.211	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-48.1	174	-179.4	179.9	176.6	-98.6	6.5	111.8	Y793 P794 L799 L800 L801 A840 L844	Y793-R797 HydrophobicContact CE2-CB 4.45Å; Y793-R797 WeakPolarHBondContact O-CB 3.44Å; Y793-R797 PolarHBondContact O-N 3.44Å; P794-R797 PolarHBondContact O-N 3.29Å; R797-L799 VanDerWaalsContact C-N 3.31Å; R797-L799 PolarHBondContact O-N 2.99Å; R797-L800 PolarHBondContact O-N 2.89Å; R797-L801 HydrophobicContact CG-CD1 4.29Å; R797-L801 WeakPolarHBondContact O-CG 3.48Å; R797-L801 PolarHBondContact O-N 2.77Å; R797-A840 HydrophobicContact CB-CB 4.4Å; R797-L844 HydrophobicContact CG-CD1 4.36Å; R797-L844 HydrophobicContact CG-CD2 3.88Å; R797-L844 HydrophobicContact CG-CG 4.07Å
798	D	95.5	Very high	96.4	Very high	45 Å²	45	41.9 Å²	41.9	24%	0.241	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-39	178.9	-70.6	-19.5	0	0	0	111.8	T778 R780 P794 V796 Q802	T778-D798 HydrophobicContact CG2-CB 4.06Å; R780-D798 IonicContact NH2-OD2 3.72Å; R780-D798 PolarHBondContact NH2-OD2 2.99Å; P794-D798 WeakPolarHBondContact O-CB 3.29Å; P794-D798 PolarHBondContact O-N 2.74Å; V796-D798 PolarHBondContact O-N 2.83Å; D798-Q802 VanDerWaalsContact O-CG 3.29Å; D798-Q802 WeakPolarHBondContact O-CG 3.16Å; D798-Q802 PolarHBondContact O-N 2.68Å; D798-Q802 VanDerWaalsContact O-N 3.1Å; D798-Q802 PolarHBondContact O-NE2 3.45Å
799	L	97.3	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-74.3	-38.7	179.6	-68.9	167	0	0	0	112.6	V764 A766 T778 M795 V796 R797 Q802 F803	V764-L799 HydrophobicContact CB-CD1 4.16Å; V764-L799 HydrophobicContact CG1-CD1 3.72Å; A766-L799 HydrophobicContact CB-CB 3.81Å; A766-L799 HydrophobicContact CB-CD1 4.05Å; A766-L799 HydrophobicContact CB-CD2 3.86Å; A766-L799 HydrophobicContact CB-CG 4.11Å; T778-L799 HydrophobicContact CG2-CD1 4.26Å; T778-L799 HydrophobicContact CG2-CD2 3.98Å; T778-L799 HydrophobicContact CG2-CG 3.81Å; M795-L799 WeakPolarHBondContact O-CD1 3.32Å; M795-L799 VanDerWaalsContact O-CG 3.25Å; M795-L799 WeakPolarHBondContact O-CG 3.37Å; M795-L799 PolarHBondContact O-N 2.84Å; V796-L799 PolarHBondContact O-N 3.22Å; R797-L799 VanDerWaalsContact C-N 3.31Å; R797-L799 PolarHBondContact O-N 2.99Å; L799-Q802 PolarHBondContact O-N 3Å; L799-F803 PolarHBondContact O-N 3.03Å
800	L	98	Very high	96.4	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-41.7	173.9	-72.7	171.6	0	0	0	111.6	I742 V796 R797 Q802 F803 Y804 P811 I814 L844 Y848	I742-L800 HydrophobicContact CD1-CD2 4.16Å; I742-L800 HydrophobicContact CG2-CD2 4.33Å; V796-L800 HydrophobicContact CG1-CD1 3.84Å; V796-L800 HydrophobicContact CG1-CG 4.18Å; V796-L800 WeakPolarHBondContact O-CB 3.44Å; V796-L800 WeakPolarHBondContact O-CG 3.5Å; V796-L800 PolarHBondContact O-N 3.45Å; R797-L800 PolarHBondContact O-N 2.89Å; L800-Q802 VanDerWaalsContact C-N 3.35Å; L800-Q802 PolarHBondContact O-N 2.97Å; L800-F803 PolarHBondContact O-N 3.34Å; L800-Y804 PolarHBondContact O-N 2.83Å; L800-P811 HydrophobicContact CD2-CG 3.88Å; L800-I814 HydrophobicContact CD2-CD1 4.35Å; L800-L844 HydrophobicContact CB-CD1 3.65Å; L800-L844 HydrophobicContact CD1-CD1 3.8Å; L800-L844 HydrophobicContact CG-CD1 4.39Å; L800-Y848 HydrophobicContact CD1-CE1 4.41Å
801	L	96.6	Very high	96.6	Very high	4 Å²	4	44 Å²	44	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-39	173.4	-74.7	170.6	0	0	0	112.2	L23 R797 R805 L844	L23-L801 HydrophobicContact CD1-CD1 4.03Å; R797-L801 HydrophobicContact CG-CD1 4.29Å; R797-L801 WeakPolarHBondContact O-CG 3.48Å; R797-L801 PolarHBondContact O-N 2.77Å; L801-R805 WeakPolarHBondContact O-CB 3.28Å; L801-R805 WeakPolarHBondContact O-CD 3.15Å; L801-R805 WeakPolarHBondContact O-CG 3.32Å; L801-R805 PolarHBondContact O-N 2.95Å; L801-L844 HydrophobicContact CD1-CD2 4.03Å; L801-L844 HydrophobicContact CD2-CD2 3.7Å; L801-L844 HydrophobicContact CG-CD2 3.73Å
802	Q	94.7	Very high	96.7	Very high	34 Å²	34	44.3 Å²	44.3	16%	0.159	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-42	174.5	-75	175.4	62.7	0	0	112.2	M768 S776 D798 L799 L800 Y804 R805 A806	M768-Q802 HydrophobicContact CE-CB 4.19Å; M768-Q802 HydrophobicContact SD-CB 3.71Å; S776-Q802 PolarHBondContact OG-OE1 2.81Å; D798-Q802 VanDerWaalsContact O-CG 3.29Å; D798-Q802 WeakPolarHBondContact O-CG 3.16Å; D798-Q802 PolarHBondContact O-N 2.68Å; D798-Q802 VanDerWaalsContact O-N 3.1Å; D798-Q802 PolarHBondContact O-NE2 3.45Å; L799-Q802 PolarHBondContact O-N 3Å; L800-Q802 VanDerWaalsContact C-N 3.35Å; L800-Q802 PolarHBondContact O-N 2.97Å; Q802-Y804 PolarHBondContact O-N 3.1Å; Q802-R805 PolarHBondContact O-N 3.01Å; Q802-A806 WeakPolarHBondContact O-CB 3.41Å; Q802-A806 PolarHBondContact O-N 2.67Å
803	F	96.5	Very high	96.7	Very high	6 Å²	6	47 Å²	47	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-47.4	175.1	-176.2	-84.3	0	0	0	111.7	I742 S767 M768 L799 L800 R805 A806 T807 F809 P811	I742-F803 HydrophobicContact CB-CD2 4.1Å; I742-F803 HydrophobicContact CB-CE2 4.12Å; I742-F803 HydrophobicContact CD1-CB 3.7Å; I742-F803 HydrophobicContact CD1-CD2 3.67Å; I742-F803 HydrophobicContact CD1-CG 3.84Å; I742-F803 HydrophobicContact CG1-CD2 3.71Å; I742-F803 HydrophobicContact CG1-CE2 4.13Å; I742-F803 HydrophobicContact CG1-CG 4.34Å; S767-F803 VanDerWaalsContact O-CD2 3.26Å; S767-F803 WeakPolarHBondContact O-CD2 3.43Å; M768-F803 HydrophobicContact CE-CB 4.04Å; L799-F803 PolarHBondContact O-N 3.03Å; L800-F803 PolarHBondContact O-N 3.34Å; F803-R805 VanDerWaalsContact C-N 3.35Å; F803-R805 PolarHBondContact O-N 2.83Å; F803-A806 PolarHBondContact O-N 3.07Å; F803-T807 HydrophobicContact CD1-CG2 4.32Å; F803-T807 WeakPolarHBondContact CD1-OG1 3.39Å; F803-T807 HydrophobicContact CD2-CG2 4.27Å; F803-T807 HydrophobicContact CE1-CG2 4.07Å; F803-T807 VanDerWaalsContact CE1-OG1 3.22Å; F803-T807 WeakPolarHBondContact CE1-OG1 3.3Å; F803-T807 HydrophobicContact CE2-CG2 4.03Å; F803-T807 HydrophobicContact CG-CG2 4.43Å; F803-T807 HydrophobicContact CZ-CG2 3.93Å; F803-T807 WeakPolarHBondContact O-CB 3.44Å; F803-T807 PolarHBondContact O-N 3.28Å; F803-T807 PolarHBondContact O-OG1 3.18Å; F803-F809 VanDerWaalsContact CD1-O 3.29Å; F803-F809 WeakPolarHBondContact CD1-O 3.38Å; F803-F809 HydrophobicContact CE1-CB 4.36Å; F803-F809 WeakPolarHBondContact CE1-O 3.12Å; F803-P811 HydrophobicContact CD1-CG 3.57Å; F803-P811 HydrophobicContact CE1-CG 3.67Å; F803-P811 HydrophobicContact CG-CG 4.07Å; F803-P811 HydrophobicContact CZ-CG 4.24Å
804	Y	96.8	Very high	96.8	Very high	58 Å²	58	44.3 Å²	44.3	23%	0.227	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-38.4	177.8	-177.3	-104.7	0	0	0	112	F16 L800 Q802 R808 K810	F16-Y804 AromaticContact CD1-CD1 3.78Å; F16-Y804 HydrophobicContact CD1-CD1 3.78Å; F16-Y804 HydrophobicContact CD1-CE1 4Å; F16-Y804 HydrophobicContact CD1-CG 4.09Å; F16-Y804 HydrophobicContact CE1-CD1 4.09Å; F16-Y804 HydrophobicContact CE1-CD2 4.4Å; F16-Y804 AromaticContact CE1-CG 3.95Å; F16-Y804 HydrophobicContact CE1-CG 3.95Å; L800-Y804 PolarHBondContact O-N 2.83Å; Q802-Y804 PolarHBondContact O-N 3.1Å; Y804-R808 VanDerWaalsContact CE2-O 3.27Å; Y804-R808 WeakPolarHBondContact CE2-O 3.31Å; Y804-R808 WeakPolarHBondContact O-CA 3.46Å; Y804-R808 PolarHBondContact O-N 2.87Å; Y804-K810 HydrophobicContact CD2-CG 4.08Å; Y804-K810 HydrophobicContact CE2-CG 4.27Å
805	R	95.1	Very high	96.9	Very high	98 Å²	98	42.4 Å²	42.4	37%	0.37	20%	0.196	S	C	.	.	H	α-helix	trans	-64.7	-36.6	174.2	-73.2	165.2	-179.5	177.7	-0.3	112.7	L801 Q802 F803	L801-R805 WeakPolarHBondContact O-CB 3.28Å; L801-R805 WeakPolarHBondContact O-CD 3.15Å; L801-R805 WeakPolarHBondContact O-CG 3.32Å; L801-R805 PolarHBondContact O-N 2.95Å; Q802-R805 PolarHBondContact O-N 3.01Å; F803-R805 VanDerWaalsContact C-N 3.35Å; F803-R805 PolarHBondContact O-N 2.83Å
806	A	93.2	Very high	96.9	Very high	65 Å²	65	42.4 Å²	42.4	54%	0.537	20%	0.196	S	C	.	.	H	α-helix	trans	-81.1	-39.1	-178	0	0	0	0	0	113.7	M768 Q802 F803	M768-A806 HydrophobicContact CB-CB 4.46Å; Q802-A806 WeakPolarHBondContact O-CB 3.41Å; Q802-A806 PolarHBondContact O-N 2.67Å; F803-A806 PolarHBondContact O-N 3.07Å
807	T	95.5	Very high	96.9	Very high	33 Å²	33	42.4 Å²	42.4	20%	0.202	20%	0.196	C	C	.	.	H	α-helix	trans	-108.6	-20.1	-171.1	67.9	0	0	0	0	114.5	M768 F803 F809	M768-T807 WeakPolarHBondContact O-CG2 3.37Å; F803-T807 HydrophobicContact CD1-CG2 4.32Å; F803-T807 WeakPolarHBondContact CD1-OG1 3.39Å; F803-T807 HydrophobicContact CD2-CG2 4.27Å; F803-T807 HydrophobicContact CE1-CG2 4.07Å; F803-T807 VanDerWaalsContact CE1-OG1 3.22Å; F803-T807 WeakPolarHBondContact CE1-OG1 3.3Å; F803-T807 HydrophobicContact CE2-CG2 4.03Å; F803-T807 HydrophobicContact CG-CG2 4.43Å; F803-T807 HydrophobicContact CZ-CG2 3.93Å; F803-T807 WeakPolarHBondContact O-CB 3.44Å; F803-T807 PolarHBondContact O-N 3.28Å; F803-T807 PolarHBondContact O-OG1 3.18Å; T807-F809 WeakPolarHBondContact O-CD2 3.03Å; T807-F809 PolarHBondContact O-N 3.44Å; T807-F809 PolarHBondContact OG1-N 3.17Å; T807-F809 VanDerWaalsContact OG1-N 3.12Å; T807-F809 PolarHBondContact OG1-O 3.47Å
808	R	96.6	Very high	97	Very high	176 Å²	176	39.8 Å²	39.8	66%	0.664	19%	0.186	S	C	*	.	S	Bend	trans	62.7	5.3	-166.3	-52.8	-56.3	-177.5	166.5	1.1	115.9	Y804	Y804-R808 VanDerWaalsContact CE2-O 3.27Å; Y804-R808 WeakPolarHBondContact CE2-O 3.31Å; Y804-R808 WeakPolarHBondContact O-CA 3.46Å; Y804-R808 PolarHBondContact O-N 2.87Å
809	F	96.9	Very high	96.9	Very high	129 Å²	129	38.4 Å²	38.4	57%	0.566	18%	0.178	S	C	*	.	P	Polyproline II helix	trans	-102.4	146.9	173.3	-67.8	-79.3	0	0	0	111.8	P740 F803 T807	P740-F809 HydrophobicContact CB-CB 3.77Å; P740-F809 HydrophobicContact CB-CG 4.37Å; P740-F809 HydrophobicContact CG-CB 3.65Å; P740-F809 HydrophobicContact CG-CD1 3.68Å; P740-F809 HydrophobicContact CG-CG 3.78Å; F803-F809 VanDerWaalsContact CD1-O 3.29Å; F803-F809 WeakPolarHBondContact CD1-O 3.38Å; F803-F809 HydrophobicContact CE1-CB 4.36Å; F803-F809 WeakPolarHBondContact CE1-O 3.12Å; T807-F809 WeakPolarHBondContact O-CD2 3.03Å; T807-F809 PolarHBondContact O-N 3.44Å; T807-F809 PolarHBondContact OG1-N 3.17Å; T807-F809 VanDerWaalsContact OG1-N 3.12Å; T807-F809 PolarHBondContact OG1-O 3.47Å
810	K	96.7	Very high	96.3	Very high	71 Å²	71	40.8 Å²	40.8	31%	0.309	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-86.4	131	164	-63.2	172.9	-179.9	173.8	0	107.8	F16 P740 Y804 T812 E845 Y848	F16-K810 HydrophobicContact CE2-CD 4.2Å; F16-K810 HydrophobicContact CZ-CD 4.39Å; F16-K810 HydrophobicContact CZ-CG 4.23Å; P740-K810 WeakPolarHBondContact CB-O 3.21Å; Y804-K810 HydrophobicContact CD2-CG 4.08Å; Y804-K810 HydrophobicContact CE2-CG 4.27Å; K810-T812 PolarHBondContact O-N 3.33Å; K810-E845 IonicContact NZ-OE1 2.88Å; K810-E845 PolarHBondContact NZ-OE1 2.98Å; K810-E845 IonicContact NZ-OE2 2.74Å; K810-E845 PolarHBondContact NZ-OE2 2.99Å; K810-Y848 HydrophobicContact CB-CE2 4.28Å
811	P	97.9	Very high	96	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.019	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-58.6	128.7	173.8	-24.8	34.2	0	0	0	111.8	P740 I742 L800 F803 Y848 P850	P740-P811 CarbonylContact O-C 3.57Å; I742-P811 HydrophobicContact CB-CB 4.06Å; I742-P811 HydrophobicContact CB-CG 3.82Å; I742-P811 HydrophobicContact CD1-CG 4.36Å; I742-P811 HydrophobicContact CG2-CB 3.76Å; I742-P811 HydrophobicContact CG2-CG 3.79Å; L800-P811 HydrophobicContact CD2-CG 3.88Å; F803-P811 HydrophobicContact CD1-CG 3.57Å; F803-P811 HydrophobicContact CE1-CG 3.67Å; F803-P811 HydrophobicContact CG-CG 4.07Å; F803-P811 HydrophobicContact CZ-CG 4.24Å; P811-Y848 WeakPolarHBondContact CD-OH 3.28Å; P811-Y848 VanDerWaalsContact O-CE2 3.31Å; P811-Y848 WeakPolarHBondContact O-CE2 3.42Å; P811-Y848 PolarHBondContact O-OH 2.99Å; P811-Y848 VanDerWaalsContact O-OH 3.04Å; P811-P850 WeakPolarHBondContact O-CB 3.34Å
812	T	97.8	Very high	95.6	Very high	51 Å²	51	41.8 Å²	41.8	31%	0.313	22%	0.215	S	C	.	.	S	Bend	trans	-79.2	-25.7	166.5	59.4	0	0	0	0	111.6	E739 P740 K810 P850 G851	E739-T812 HydrophobicContact CB-CG2 4.21Å; E739-T812 WeakPolarHBondContact CB-OG1 3.36Å; P740-T812 PolarHBondContact O-N 3.21Å; P740-T812 PolarHBondContact O-OG1 3.22Å; K810-T812 PolarHBondContact O-N 3.33Å; T812-P850 CarbonylContact O-C 3.52Å; T812-P850 VanDerWaalsContact O-CA 3.29Å; T812-P850 WeakPolarHBondContact O-CA 3.39Å; T812-P850 WeakPolarHBondContact O-CB 3.26Å; T812-G851 PolarHBondContact O-N 3.01Å
813	R	98.3	Very high	95.2	Very high	57 Å²	57	43.4 Å²	43.4	22%	0.215	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.9	-177.7	-56.3	-173.8	179.6	68.2	11.6	111.9	E739 V741 I742 G851 N922	E739-R813 IonicContact OE2-CZ 3.4Å; E739-R813 IonicContact OE2-NH1 3.38Å; E739-R813 PolarHBondContact OE2-NH1 2.84Å; E739-R813 IonicContact OE2-NH2 3.59Å; E739-R813 PolarHBondContact OE2-NH2 2.78Å; V741-R813 WeakPolarHBondContact CA-O 3.28Å; V741-R813 HydrophobicContact CB-CB 4.29Å; V741-R813 HydrophobicContact CG2-CB 4.03Å; I742-R813 PolarHBondContact N-O 3.1Å; R813-G851 CarbonylContact C-O 3.54Å; R813-G851 VanDerWaalsContact CA-O 3.29Å; R813-G851 WeakPolarHBondContact CA-O 3.35Å; R813-N922 WeakPolarHBondContact CD-OD1 3.29Å; R813-N922 WeakPolarHBondContact CG-OD1 3.14Å; R813-N922 PolarHBondContact NE-OD1 2.82Å
814	I	98.6	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.8	175.2	-57.2	-177.5	0	0	0	108.4	I742 L744 L800 I837 P850 G851 I852 T853	I742-I814 HydrophobicContact CG2-CB 4.18Å; I742-I814 HydrophobicContact CG2-CG1 3.79Å; I742-I814 HydrophobicContact CG2-CG2 4.19Å; L744-I814 HydrophobicContact CD1-CG2 3.45Å; L744-I814 VanDerWaalsContact CD1-CG2 3.45Å; L744-I814 HydrophobicContact CG-CG2 3.93Å; L800-I814 HydrophobicContact CD2-CD1 4.35Å; I814-I837 HydrophobicContact CD1-CG2 3.96Å; I814-I837 HydrophobicContact CG2-CG2 4.35Å; I814-P850 HydrophobicContact CD1-CB 4.42Å; I814-P850 HydrophobicContact CD1-CG 3.64Å; I814-P850 HydrophobicContact CG1-CB 4.22Å; I814-P850 HydrophobicContact CG1-CG 3.98Å; I814-G851 PolarHBondContact N-O 3.11Å; I814-I852 HydrophobicContact CB-CG1 4.29Å; I814-I852 WeakPolarHBondContact O-CA 3.18Å; I814-T853 PolarHBondContact O-N 3.45Å
815	I	98.6	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	109.6	177.6	-47.6	-57.4	0	0	0	108.5	V741 I742 F743 L744 Y817 I855 F924	V741-I815 HydrophobicContact CG2-CG1 3.8Å; I742-I815 PolarHBondContact O-N 2.79Å; F743-I815 HydrophobicContact CD1-CB 3.85Å; F743-I815 HydrophobicContact CD1-CG1 4.14Å; F743-I815 HydrophobicContact CD1-CG2 4.24Å; F743-I815 HydrophobicContact CE1-CB 4.05Å; F743-I815 HydrophobicContact CE1-CG1 3.86Å; F743-I815 HydrophobicContact CE1-CG2 4.39Å; L744-I815 PolarHBondContact N-O 3.29Å; I815-Y817 HydrophobicContact CG2-CD2 4.2Å; I815-Y817 HydrophobicContact CG2-CE2 3.62Å; I815-I855 HydrophobicContact CG2-CD1 4.17Å; I815-F924 HydrophobicContact CD1-CE2 3.62Å; I815-F924 HydrophobicContact CD1-CZ 3.77Å
816	Y	98.7	Very high	94.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	106.4	-170.4	-176.5	-105.6	0	0	0	111.9	L744 A746 L792 R818 E833 I837 T853 F854 I855	L744-Y816 HydrophobicContact CB-CD2 3.67Å; L744-Y816 HydrophobicContact CB-CE2 4.5Å; L744-Y816 HydrophobicContact CD1-CD2 3.87Å; L744-Y816 HydrophobicContact CG-CD2 4.42Å; A746-Y816 HydrophobicContact CB-CE2 3.74Å; A746-Y816 WeakPolarHBondContact CB-OH 3.15Å; L792-Y816 HydrophobicContact CD1-CE2 4.25Å; L792-Y816 HydrophobicContact CD2-CE2 4.47Å; Y816-R818 HydrophobicContact CD1-CB 4.17Å; Y816-R818 HydrophobicContact CE1-CB 3.78Å; Y816-R818 HydrophobicContact CE1-CG 4.16Å; Y816-E833 WeakPolarHBondContact CE1-OE2 3.48Å; Y816-E833 PolarHBondContact OH-OE2 3.18Å; Y816-I837 HydrophobicContact CD1-CD1 4.17Å; Y816-I837 HydrophobicContact CD2-CD1 4.03Å; Y816-I837 HydrophobicContact CE1-CD1 4.37Å; Y816-I837 HydrophobicContact CE2-CD1 4.27Å; Y816-I837 HydrophobicContact CG-CD1 3.97Å; Y816-T853 PolarHBondContact N-O 3.31Å; Y816-F854 HydrophobicContact CD1-CD1 4.14Å; Y816-F854 AromaticContact CD1-CD2 3.7Å; Y816-F854 HydrophobicContact CD1-CD2 3.7Å; Y816-F854 HydrophobicContact CD1-CE1 4.03Å; Y816-F854 AromaticContact CD1-CE2 3.59Å; Y816-F854 HydrophobicContact CD1-CE2 3.59Å; Y816-F854 AromaticContact CD1-CG 3.97Å; Y816-F854 HydrophobicContact CD1-CG 3.97Å; Y816-F854 AromaticContact CD1-CZ 3.76Å; Y816-F854 HydrophobicContact CD1-CZ 3.76Å; Y816-F854 HydrophobicContact CE1-CD2 4.12Å; Y816-F854 HydrophobicContact CE1-CE1 4.04Å; Y816-F854 AromaticContact CE1-CE2 3.5Å; Y816-F854 HydrophobicContact CE1-CE2 3.5Å; Y816-F854 AromaticContact CE1-CZ 3.45Å; Y816-F854 HydrophobicContact CE1-CZ 3.45Å; Y816-F854 VanDerWaalsContact CE1-CZ 3.45Å; Y816-I855 PolarHBondContact O-N 3.06Å
817	Y	98.8	Very high	94.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113	175.3	-72.3	-83.5	0	0	0	111.5	L744 G745 A746 I815 I855 V857 T933 L936 P950 P952	L744-Y817 PolarHBondContact O-N 2.87Å; G745-Y817 CarbonylContact C-O 3.46Å; G745-Y817 WeakPolarHBondContact CA-O 3.47Å; A746-Y817 PolarHBondContact N-O 2.98Å; I815-Y817 HydrophobicContact CG2-CD2 4.2Å; I815-Y817 HydrophobicContact CG2-CE2 3.62Å; Y817-I855 CarbonylContact C-O 3.53Å; Y817-I855 WeakPolarHBondContact CA-O 3.47Å; Y817-I855 HydrophobicContact CD1-CB 3.98Å; Y817-I855 HydrophobicContact CD1-CD1 4.27Å; Y817-I855 HydrophobicContact CD1-CG2 4.06Å; Y817-I855 HydrophobicContact CE1-CB 4.15Å; Y817-I855 HydrophobicContact CE1-CD1 3.68Å; Y817-I855 HydrophobicContact CE1-CG1 4.5Å; Y817-I855 HydrophobicContact CE1-CG2 4.02Å; Y817-I855 HydrophobicContact CE2-CD1 4.46Å; Y817-V857 HydrophobicContact CD1-CG2 3.78Å; Y817-V857 HydrophobicContact CG-CG2 4.48Å; Y817-T933 HydrophobicContact CE1-CG2 4.14Å; Y817-T933 PolarHBondContact OH-OG1 3.27Å; Y817-L936 HydrophobicContact CD2-CD1 4.39Å; Y817-L936 HydrophobicContact CE2-CD1 3.45Å; Y817-L936 VanDerWaalsContact CE2-CD1 3.45Å; Y817-P950 HydrophobicContact CD1-CB 4.47Å; Y817-P950 HydrophobicContact CD1-CG 3.87Å; Y817-P950 HydrophobicContact CE1-CG 3.81Å; Y817-P950 HydrophobicContact CG-CB 4.43Å; Y817-P950 HydrophobicContact CG-CG 4.31Å; Y817-P952 HydrophobicContact CD2-CG 4.14Å
818	R	98.3	Very high	94	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	104.7	-174.2	-178.1	60.5	165.4	84.3	5.5	111.4	E787 Y816 V821 E833 F854 I855 V856 V857	E787-R818 PolarHBondContact O-NH2 2.97Å; E787-R818 IonicContact OE1-CZ 3.65Å; E787-R818 IonicContact OE1-NH1 3.11Å; E787-R818 PolarHBondContact OE1-NH1 3.37Å; E787-R818 IonicContact OE1-NH2 3.86Å; E787-R818 PolarHBondContact OE1-NH2 2.98Å; E787-R818 VanDerWaalsContact OE1-NH2 3.08Å; Y816-R818 HydrophobicContact CD1-CB 4.17Å; Y816-R818 HydrophobicContact CE1-CB 3.78Å; Y816-R818 HydrophobicContact CE1-CG 4.16Å; R818-V821 HydrophobicContact CG-CG2 3.68Å; R818-E833 WeakPolarHBondContact CD-OE2 3.43Å; R818-E833 IonicContact CZ-OE1 3.73Å; R818-E833 IonicContact CZ-OE2 3.63Å; R818-E833 IonicContact NE-OE1 2.72Å; R818-E833 PolarHBondContact NE-OE1 3.49Å; R818-E833 IonicContact NE-OE2 3.14Å; R818-E833 PolarHBondContact NE-OE2 3.35Å; R818-E833 IonicContact NH2-OE1 3.7Å; R818-E833 PolarHBondContact NH2-OE1 3.39Å; R818-F854 HydrophobicContact CB-CE1 4.1Å; R818-F854 HydrophobicContact CG-CE1 4.38Å; R818-I855 PolarHBondContact N-O 3.12Å; R818-V856 HydrophobicContact CB-CG2 4.47Å; R818-V856 CarbonylContact O-C 3.55Å; R818-V856 WeakPolarHBondContact O-CA 3.44Å; R818-V857 PolarHBondContact O-N 3.34Å
819	D	94.8	Very high	94	Very high	16 Å²	16	37.7 Å²	37.7	9%	0.086	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	155.4	178.5	-161.1	2.3	0	0	0	111.4	A746 V821 V857 A953	A746-D819 PolarHBondContact O-N 2.86Å; D819-V821 PolarHBondContact O-N 3.42Å; D819-V857 WeakPolarHBondContact CA-O 3.15Å; D819-A953 HydrophobicContact CB-CB 4.42Å
820	G	83.1	Confident	93.9	Very high	50 Å²	50	31.6 Å²	31.6	52%	0.515	19%	0.19	S	C	.	.	S	Bend	trans	88.8	-21.4	160.8	0	0	0	0	0	118.2	V857	G820-V857 PolarHBondContact N-O 2.95Å; G820-V857 VanDerWaalsContact N-O 3.11Å
821	V	91.8	Very high	93.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	18%	0.182	C	C	.	.			trans	-64.6	135.8	-171.5	-175.2	0	0	0	0	112.3	R818 D819 Q825 F826 V829 V856 Q858	R818-V821 HydrophobicContact CG-CG2 3.68Å; D819-V821 PolarHBondContact O-N 3.42Å; V821-Q825 HydrophobicContact CG1-CB 4.17Å; V821-F826 HydrophobicContact CG1-CD1 3.95Å; V821-F826 HydrophobicContact CG1-CE1 4.34Å; V821-V829 HydrophobicContact CG1-CB 4.2Å; V821-V829 HydrophobicContact CG1-CG1 4.45Å; V821-V829 HydrophobicContact CG1-CG2 3.79Å; V821-V829 HydrophobicContact CG2-CG1 4.2Å; V821-V829 HydrophobicContact CG2-CG2 4.43Å; V821-V856 HydrophobicContact CB-CG1 4.08Å; V821-V856 HydrophobicContact CB-CG2 4.45Å; V821-Q858 PolarHBondContact O-NE2 2.91Å
822	G	87.8	Confident	93.8	Very high	30 Å²	30	32.6 Å²	32.6	31%	0.309	20%	0.196	S	C	.	.			trans	-82.5	148	174.1	0	0	0	0	0	113.4	G824 Q825 F826	G822-G824 PolarHBondContact O-N 3.48Å; G822-Q825 WeakPolarHBondContact O-CA 3.28Å; G822-Q825 WeakPolarHBondContact O-CB 3.16Å; G822-Q825 PolarHBondContact O-N 3.01Å; G822-F826 VanDerWaalsContact O-CD1 3.28Å; G822-F826 WeakPolarHBondContact O-CD1 3.44Å; G822-F826 PolarHBondContact O-N 3.23Å
823	E	86.8	Confident	93.8	Very high	68 Å²	68	30.1 Å²	30.1	32%	0.318	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-53.4	-47.4	-176.2	-66.2	162	160.1	0	0	112.9	R357 Q825 F826	R357-E823 IonicContact CZ-OE1 3.78Å; R357-E823 IonicContact CZ-OE2 3.4Å; R357-E823 IonicContact NH1-OE1 3.1Å; R357-E823 PolarHBondContact NH1-OE1 2.85Å; R357-E823 IonicContact NH1-OE2 3.94Å; R357-E823 PolarHBondContact NH1-OE2 2.87Å; R357-E823 IonicContact NH2-OE1 3.19Å; R357-E823 PolarHBondContact NH2-OE1 2.81Å; E823-Q825 PolarHBondContact O-N 3.2Å; E823-F826 HydrophobicContact CB-CE2 4.4Å; E823-F826 HydrophobicContact CB-CZ 4.36Å; E823-F826 HydrophobicContact CG-CE1 4.31Å; E823-F826 HydrophobicContact CG-CE2 4.04Å; E823-F826 HydrophobicContact CG-CZ 3.8Å; E823-F826 WeakPolarHBondContact O-CB 3.17Å; E823-F826 WeakPolarHBondContact O-CG 3.09Å; E823-F826 PolarHBondContact O-N 3.33Å
824	G	85.8	Confident	93.7	Very high	54 Å²	54	27.4 Å²	27.4	56%	0.557	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-67.2	7.8	175.3	0	0	0	0	0	115.6	G822	G822-G824 PolarHBondContact O-N 3.48Å
825	Q	89.8	Confident	93.6	Very high	63 Å²	63	31.8 Å²	31.8	29%	0.294	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-122.2	-3.5	172.5	-63.7	176.5	-54.1	0	0	112.6	V821 G822 E823 L827 N828 V829	V821-Q825 HydrophobicContact CG1-CB 4.17Å; G822-Q825 WeakPolarHBondContact O-CA 3.28Å; G822-Q825 WeakPolarHBondContact O-CB 3.16Å; G822-Q825 PolarHBondContact O-N 3.01Å; E823-Q825 PolarHBondContact O-N 3.2Å; Q825-L827 PolarHBondContact O-N 3.07Å; Q825-N828 PolarHBondContact O-N 3.34Å; Q825-N828 VanDerWaalsContact O-N 3.14Å; Q825-V829 HydrophobicContact CB-CG2 4.35Å; Q825-V829 WeakPolarHBondContact O-CG2 3.23Å; Q825-V829 PolarHBondContact O-N 2.92Å
826	F	93.1	Very high	93.6	Very high	18 Å²	18	32.1 Å²	32.1	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-52.2	-54.2	-175.1	-77.5	0.3	0	0	0	112.8	V821 G822 E823 N828 V829 L830 V856 Q858 H916 L918	V821-F826 HydrophobicContact CG1-CD1 3.95Å; V821-F826 HydrophobicContact CG1-CE1 4.34Å; G822-F826 VanDerWaalsContact O-CD1 3.28Å; G822-F826 WeakPolarHBondContact O-CD1 3.44Å; G822-F826 PolarHBondContact O-N 3.23Å; E823-F826 HydrophobicContact CB-CE2 4.4Å; E823-F826 HydrophobicContact CB-CZ 4.36Å; E823-F826 HydrophobicContact CG-CE1 4.31Å; E823-F826 HydrophobicContact CG-CE2 4.04Å; E823-F826 HydrophobicContact CG-CZ 3.8Å; E823-F826 WeakPolarHBondContact O-CB 3.17Å; E823-F826 WeakPolarHBondContact O-CG 3.09Å; E823-F826 PolarHBondContact O-N 3.33Å; F826-N828 VanDerWaalsContact C-N 3.35Å; F826-N828 PolarHBondContact O-N 3.34Å; F826-V829 PolarHBondContact O-N 3.3Å; F826-L830 WeakPolarHBondContact O-CB 3.39Å; F826-L830 PolarHBondContact O-N 2.97Å; F826-V856 HydrophobicContact CE1-CB 4.32Å; F826-V856 HydrophobicContact CE1-CG1 3.77Å; F826-V856 HydrophobicContact CE1-CG2 4.4Å; F826-V856 HydrophobicContact CZ-CG1 4.16Å; F826-Q858 VanDerWaalsContact CZ-NE2 3.33Å; F826-H916 HydrophobicContact CE2-CB 4.16Å; F826-H916 AromaticContact CE2-CG 3.85Å; F826-H916 AromaticContact CE2-ND1 3.78Å; F826-H916 HydrophobicContact CZ-CB 4.35Å; F826-L918 HydrophobicContact CB-CD1 3.9Å; F826-L918 HydrophobicContact CB-CD2 4.02Å; F826-L918 HydrophobicContact CD1-CD1 4.32Å; F826-L918 HydrophobicContact CD2-CD1 4.5Å; F826-L918 HydrophobicContact CD2-CD2 3.65Å; F826-L918 HydrophobicContact CE2-CD2 4.26Å; F826-L918 HydrophobicContact CG-CD1 4.02Å; F826-L918 HydrophobicContact CG-CD2 3.96Å
827	L	91.9	Very high	93.6	Very high	73 Å²	73	32.1 Å²	32.1	38%	0.382	19%	0.19	S	C	.	.	H	α-helix	trans	-63.3	-38.1	-179.9	-62.9	177.7	0	0	0	112.5	Q825 N831	Q825-L827 PolarHBondContact O-N 3.07Å; L827-N831 VanDerWaalsContact O-CB 3.29Å; L827-N831 WeakPolarHBondContact O-CB 3.48Å; L827-N831 PolarHBondContact O-N 3.34Å; L827-N831 PolarHBondContact O-ND2 3.03Å
828	N	92.7	Very high	93.5	Very high	108 Å²	108	35.8 Å²	35.8	58%	0.578	20%	0.204	S	C	*	.	H	α-helix	trans	-70.8	-39.9	-179.5	-68.7	-15.5	0	0	0	111.9	I788 Q825 F826 H832	I788-N828 HydrophobicContact CD1-CB 4.46Å; Q825-N828 PolarHBondContact O-N 3.34Å; Q825-N828 VanDerWaalsContact O-N 3.14Å; F826-N828 VanDerWaalsContact C-N 3.35Å; F826-N828 PolarHBondContact O-N 3.34Å; N828-H832 PolarHBondContact O-N 2.94Å
829	V	95.4	Very high	93.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-46.6	174.3	170.7	0	0	0	0	110.5	I788 V821 Q825 F826 H832 E833 F854	I788-V829 HydrophobicContact CG1-CG2 3.91Å; V821-V829 HydrophobicContact CG1-CB 4.2Å; V821-V829 HydrophobicContact CG1-CG1 4.45Å; V821-V829 HydrophobicContact CG1-CG2 3.79Å; V821-V829 HydrophobicContact CG2-CG1 4.2Å; V821-V829 HydrophobicContact CG2-CG2 4.43Å; Q825-V829 HydrophobicContact CB-CG2 4.35Å; Q825-V829 WeakPolarHBondContact O-CG2 3.23Å; Q825-V829 PolarHBondContact O-N 2.92Å; F826-V829 PolarHBondContact O-N 3.3Å; V829-H832 PolarHBondContact O-N 2.87Å; V829-E833 HydrophobicContact CG1-CG 4.09Å; V829-E833 VanDerWaalsContact O-CB 3.28Å; V829-E833 WeakPolarHBondContact O-CB 3.43Å; V829-E833 PolarHBondContact O-N 2.9Å; V829-F854 HydrophobicContact CG1-CZ 4.1Å
830	L	96.1	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.2	-52.7	176.5	175.2	64.4	0	0	0	111.7	F172 F826 H832 L834 F854 L918 W919	F172-L830 HydrophobicContact CB-CD2 3.77Å; F172-L830 HydrophobicContact CB-CG 4.04Å; F826-L830 WeakPolarHBondContact O-CB 3.39Å; F826-L830 PolarHBondContact O-N 2.97Å; L830-H832 VanDerWaalsContact C-N 3.26Å; L830-H832 PolarHBondContact O-N 3.27Å; L830-L834 HydrophobicContact CD1-CB 4.08Å; L830-L834 HydrophobicContact CD1-CD2 4.05Å; L830-L834 WeakPolarHBondContact O-CB 3.34Å; L830-L834 PolarHBondContact O-N 2.98Å; L830-F854 HydrophobicContact CD1-CD2 4.26Å; L830-F854 HydrophobicContact CD1-CG 4.34Å; L830-L918 HydrophobicContact CB-CD1 4.39Å; L830-L918 HydrophobicContact CD1-CB 4.03Å; L830-L918 HydrophobicContact CD2-CB 4.26Å; L830-L918 WeakPolarHBondContact CD2-O 3.15Å; L830-W919 HydrophobicContact CD1-CB 4.01Å
831	N	95	Very high	94.2	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-27.5	-176.4	-78.8	-62.9	0	0	0	113.7	Q171 F172 L827 R835	Q171-N831 WeakPolarHBondContact CA-OD1 3.21Å; F172-N831 VanDerWaalsContact CD2-OD1 3.23Å; F172-N831 WeakPolarHBondContact CD2-OD1 3.38Å; F172-N831 PolarHBondContact N-OD1 3.4Å; L827-N831 VanDerWaalsContact O-CB 3.29Å; L827-N831 WeakPolarHBondContact O-CB 3.48Å; L827-N831 PolarHBondContact O-N 3.34Å; L827-N831 PolarHBondContact O-ND2 3.03Å; N831-R835 WeakPolarHBondContact O-CD 3.37Å; N831-R835 WeakPolarHBondContact O-CG 3.3Å; N831-R835 PolarHBondContact O-NE 2.99Å
832	H	95.7	Very high	94.4	Very high	67 Å²	67	39.3 Å²	39.3	31%	0.31	21%	0.211	S	C	.	.	H	α-helix	trans	-87.1	-55.2	173.5	-172.9	-75.3	0	0	0	112	I788 I789 N828 V829 L830 R835 A836	I788-H832 HydrophobicContact CG2-CB 3.72Å; I788-H832 VanDerWaalsContact CG2-ND1 3.33Å; I788-H832 WeakPolarHBondContact CG2-ND1 3.38Å; I789-H832 PolarHBondContact O-CE1 2.83Å; I789-H832 VanDerWaalsContact O-CE1 3.27Å; I789-H832 PolarHBondContact O-ND1 2.83Å; N828-H832 PolarHBondContact O-N 2.94Å; V829-H832 PolarHBondContact O-N 2.87Å; L830-H832 VanDerWaalsContact C-N 3.26Å; L830-H832 PolarHBondContact O-N 3.27Å; H832-R835 PolarHBondContact O-N 3.18Å; H832-A836 PolarHBondContact O-N 3.07Å
833	E	98	Very high	94.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70	-36.5	-170.4	-67.4	-170.8	-164.6	0	0	112.2	I789 L792 Y816 R818 V829 A836 I837 F854	I789-E833 WeakPolarHBondContact CG1-OE1 3.48Å; I789-E833 PolarHBondContact N-OE1 2.88Å; L792-E833 HydrophobicContact CD2-CB 3.45Å; L792-E833 VanDerWaalsContact CD2-CB 3.45Å; L792-E833 HydrophobicContact CD2-CG 3.69Å; L792-E833 WeakPolarHBondContact CD2-O 3.48Å; Y816-E833 WeakPolarHBondContact CE1-OE2 3.48Å; Y816-E833 PolarHBondContact OH-OE2 3.18Å; R818-E833 WeakPolarHBondContact CD-OE2 3.43Å; R818-E833 IonicContact CZ-OE1 3.73Å; R818-E833 IonicContact CZ-OE2 3.63Å; R818-E833 IonicContact NE-OE1 2.72Å; R818-E833 PolarHBondContact NE-OE1 3.49Å; R818-E833 IonicContact NE-OE2 3.14Å; R818-E833 PolarHBondContact NE-OE2 3.35Å; R818-E833 IonicContact NH2-OE1 3.7Å; R818-E833 PolarHBondContact NH2-OE1 3.39Å; V829-E833 HydrophobicContact CG1-CG 4.09Å; V829-E833 VanDerWaalsContact O-CB 3.28Å; V829-E833 WeakPolarHBondContact O-CB 3.43Å; V829-E833 PolarHBondContact O-N 2.9Å; E833-A836 PolarHBondContact O-N 3.41Å; E833-I837 WeakPolarHBondContact O-CD1 3.42Å; E833-I837 VanDerWaalsContact O-CG1 3.29Å; E833-I837 WeakPolarHBondContact O-CG1 3.46Å; E833-I837 PolarHBondContact O-N 2.92Å; E833-F854 HydrophobicContact CB-CE2 3.73Å; E833-F854 HydrophobicContact CB-CZ 4.03Å
834	L	97.4	Very high	95.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-39.6	174.8	-177.5	63.1	0	0	0	112.3	F172 L830 I837 R838 I852 W919	F172-L834 HydrophobicContact CB-CD2 4.42Å; F172-L834 HydrophobicContact CD1-CD2 3.99Å; F172-L834 HydrophobicContact CD2-CD2 3.96Å; F172-L834 HydrophobicContact CE1-CD2 4.27Å; F172-L834 HydrophobicContact CE2-CD2 4.24Å; F172-L834 HydrophobicContact CG-CD2 3.84Å; F172-L834 HydrophobicContact CZ-CD2 4.4Å; L830-L834 HydrophobicContact CD1-CB 4.08Å; L830-L834 HydrophobicContact CD1-CD2 4.05Å; L830-L834 WeakPolarHBondContact O-CB 3.34Å; L830-L834 PolarHBondContact O-N 2.98Å; L834-I837 PolarHBondContact O-N 3.44Å; L834-R838 WeakPolarHBondContact O-CG 3.41Å; L834-R838 PolarHBondContact O-N 3.33Å; L834-I852 HydrophobicContact CD1-CB 4.1Å; L834-I852 HydrophobicContact CD1-CD1 3.8Å; L834-I852 HydrophobicContact CD1-CG2 3.71Å; L834-W919 HydrophobicContact CD1-CG 4.22Å; L834-W919 HydrophobicContact CD2-CB 4.15Å; L834-W919 HydrophobicContact CD2-CD2 3.61Å; L834-W919 HydrophobicContact CD2-CE3 4.09Å; L834-W919 HydrophobicContact CD2-CG 3.6Å
835	R	96.6	Very high	95.6	Very high	91 Å²	91	40.7 Å²	40.7	34%	0.343	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-44.2	176.1	-67.8	-176.8	-173.5	177.3	4.5	110.9	L169 I170 F172 N831 H832 I837 R838 E839	L169-R835 VanDerWaalsContact CD2-NH1 3.34Å; I170-R835 PolarHBondContact O-NH2 2.83Å; F172-R835 HydrophobicContact CE2-CG 3.72Å; F172-R835 HydrophobicContact CZ-CG 4.16Å; N831-R835 WeakPolarHBondContact O-CD 3.37Å; N831-R835 WeakPolarHBondContact O-CG 3.3Å; N831-R835 PolarHBondContact O-NE 2.99Å; H832-R835 PolarHBondContact O-N 3.18Å; R835-I837 VanDerWaalsContact C-N 3.34Å; R835-I837 PolarHBondContact O-N 3.07Å; R835-R838 PolarHBondContact O-N 3.49Å; R835-E839 WeakPolarHBondContact O-CB 3.49Å; R835-E839 PolarHBondContact O-N 3.39Å
836	A	97.5	Very high	95.8	Very high	7 Å²	7	45 Å²	45	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-36.3	178	0	0	0	0	0	113.2	L792 H832 E833 A840	L792-A836 HydrophobicContact CB-CB 3.87Å; L792-A836 HydrophobicContact CD2-CB 4.33Å; L792-A836 HydrophobicContact CG-CB 4.27Å; H832-A836 PolarHBondContact O-N 3.07Å; E833-A836 PolarHBondContact O-N 3.41Å; A836-A840 WeakPolarHBondContact O-CB 3.46Å; A836-A840 PolarHBondContact O-N 2.84Å
837	I	98.3	Very high	95.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-44.4	173	-63.9	161	0	0	0	110.8	L792 V796 I814 Y816 E833 L834 R835 A840 C841 I852 F854	L792-I837 HydrophobicContact CD2-CD1 4.23Å; L792-I837 HydrophobicContact CD2-CG1 3.95Å; L792-I837 HydrophobicContact CG-CG1 4.44Å; V796-I837 HydrophobicContact CG1-CG2 4.46Å; V796-I837 HydrophobicContact CG2-CG1 4.17Å; I814-I837 HydrophobicContact CD1-CG2 3.96Å; I814-I837 HydrophobicContact CG2-CG2 4.35Å; Y816-I837 HydrophobicContact CD1-CD1 4.17Å; Y816-I837 HydrophobicContact CD2-CD1 4.03Å; Y816-I837 HydrophobicContact CE1-CD1 4.37Å; Y816-I837 HydrophobicContact CE2-CD1 4.27Å; Y816-I837 HydrophobicContact CG-CD1 3.97Å; E833-I837 WeakPolarHBondContact O-CD1 3.42Å; E833-I837 VanDerWaalsContact O-CG1 3.29Å; E833-I837 WeakPolarHBondContact O-CG1 3.46Å; E833-I837 PolarHBondContact O-N 2.92Å; L834-I837 PolarHBondContact O-N 3.44Å; R835-I837 VanDerWaalsContact C-N 3.34Å; R835-I837 PolarHBondContact O-N 3.07Å; I837-A840 WeakPolarHBondContact O-CB 3.17Å; I837-A840 PolarHBondContact O-N 3.16Å; I837-C841 PolarHBondContact O-N 2.99Å; I837-C841 PolarHBondContact O-SG 3.42Å; I837-I852 HydrophobicContact CB-CD1 4.21Å; I837-I852 HydrophobicContact CG2-CD1 3.56Å; I837-I852 HydrophobicContact CG2-CG1 4Å; I837-I852 HydrophobicContact CG2-CG2 4.49Å; I837-F854 HydrophobicContact CD1-CD2 4.49Å
838	R	97.4	Very high	96	Very high	77 Å²	77	44.4 Å²	44.4	29%	0.291	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-41.8	177.5	-73.3	-178.3	167.7	174.6	-5.2	112	L834 R835 A840 C841 V842 I852 D921	L834-R838 WeakPolarHBondContact O-CG 3.41Å; L834-R838 PolarHBondContact O-N 3.33Å; R835-R838 PolarHBondContact O-N 3.49Å; R838-A840 VanDerWaalsContact C-N 3.34Å; R838-A840 PolarHBondContact O-N 3.14Å; R838-C841 PolarHBondContact O-N 3.05Å; R838-C841 VanDerWaalsContact O-N 3.16Å; R838-V842 WeakPolarHBondContact O-CG2 3.46Å; R838-V842 PolarHBondContact O-N 2.83Å; R838-I852 HydrophobicContact CG-CD1 3.42Å; R838-I852 VanDerWaalsContact CG-CD1 3.42Å; R838-D921 IonicContact CZ-OD2 3.17Å; R838-D921 IonicContact NH2-OD1 2.79Å; R838-D921 PolarHBondContact NH2-OD1 2.97Å; R838-D921 IonicContact NH2-OD2 2.67Å; R838-D921 PolarHBondContact NH2-OD2 2.8Å
839	E	96.5	Very high	96.2	Very high	73 Å²	73	47 Å²	47	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-41.6	173.4	-175.8	-178.5	178.5	0	0	111.9	Y793 R835 C841 V842 K843	Y793-E839 HydrophobicContact CD2-CB 4.28Å; Y793-E839 HydrophobicContact CD2-CG 3.88Å; Y793-E839 HydrophobicContact CE2-CG 4.22Å; Y793-E839 HydrophobicContact CG-CG 4.24Å; R835-E839 WeakPolarHBondContact O-CB 3.49Å; R835-E839 PolarHBondContact O-N 3.39Å; E839-C841 PolarHBondContact O-N 2.79Å; E839-V842 PolarHBondContact O-N 3.23Å; E839-K843 HydrophobicContact CG-CD 3.85Å; E839-K843 HydrophobicContact CG-CG 4.26Å; E839-K843 WeakPolarHBondContact O-CB 3.4Å; E839-K843 PolarHBondContact O-N 2.92Å; E839-K843 VanDerWaalsContact OE1-CE 3.3Å; E839-K843 WeakPolarHBondContact OE1-CE 3.35Å; E839-K843 IonicContact OE1-NZ 2.86Å; E839-K843 PolarHBondContact OE1-NZ 2.87Å
840	A	97.5	Very high	96.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-30.6	176.2	0	0	0	0	0	113.1	Y793 V796 R797 A836 I837 R838 L844	Y793-A840 HydrophobicContact CD2-CB 3.9Å; Y793-A840 HydrophobicContact CE2-CB 4.44Å; V796-A840 HydrophobicContact CB-CB 3.84Å; V796-A840 HydrophobicContact CG1-CB 3.68Å; R797-A840 HydrophobicContact CB-CB 4.4Å; A836-A840 WeakPolarHBondContact O-CB 3.46Å; A836-A840 PolarHBondContact O-N 2.84Å; I837-A840 WeakPolarHBondContact O-CB 3.17Å; I837-A840 PolarHBondContact O-N 3.16Å; R838-A840 VanDerWaalsContact C-N 3.34Å; R838-A840 PolarHBondContact O-N 3.14Å; A840-L844 WeakPolarHBondContact O-CD1 3.46Å; A840-L844 VanDerWaalsContact O-CG 3.29Å; A840-L844 WeakPolarHBondContact O-CG 3.21Å
841	C	97.8	Very high	96.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-77.8	-53.3	175.6	-56.7	0	0	0	0	110.9	I837 R838 E839 K843 L844 E845 Y848 P850	I837-C841 PolarHBondContact O-N 2.99Å; I837-C841 PolarHBondContact O-SG 3.42Å; R838-C841 PolarHBondContact O-N 3.05Å; R838-C841 VanDerWaalsContact O-N 3.16Å; E839-C841 PolarHBondContact O-N 2.79Å; C841-K843 VanDerWaalsContact C-N 3.31Å; C841-K843 PolarHBondContact O-N 3.22Å; C841-L844 WeakPolarHBondContact O-CB 3.33Å; C841-L844 PolarHBondContact O-N 2.99Å; C841-E845 PolarHBondContact O-N 2.93Å; C841-Y848 HydrophobicContact CB-CD1 3.62Å; C841-Y848 HydrophobicContact CB-CE1 3.75Å; C841-Y848 HydrophobicContact CB-CG 4.48Å; C841-Y848 VanDerWaalsContact CB-O 3.28Å; C841-Y848 WeakPolarHBondContact CB-O 3.41Å; C841-Y848 WeakPolarHBondContact O-CD1 3.25Å; C841-P850 HydrophobicContact CB-CG 4.26Å; C841-P850 VanDerWaalsContact SG-CG 3.55Å
842	V	96.1	Very high	96.6	Very high	66 Å²	66	46.9 Å²	46.9	40%	0.4	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-33.1	-177	175.9	0	0	0	0	112.7	R838 E839 L844 E845	R838-V842 WeakPolarHBondContact O-CG2 3.46Å; R838-V842 PolarHBondContact O-N 2.83Å; E839-V842 PolarHBondContact O-N 3.23Å; V842-L844 VanDerWaalsContact C-N 3.32Å; V842-E845 CarbonylContact O-C 3.52Å
843	K	95.6	Very high	96.7	Very high	122 Å²	122	43.7 Å²	43.7	53%	0.53	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-2	174.7	-70.5	-173.6	173.7	174	0	114.6	Y793 E839 C841	Y793-K843 HydrophobicContact CE1-CD 4.36Å; Y793-K843 HydrophobicContact CE2-CB 4.04Å; Y793-K843 HydrophobicContact CE2-CD 3.86Å; Y793-K843 HydrophobicContact CE2-CG 4.47Å; Y793-K843 WeakPolarHBondContact OH-CD 3.15Å; E839-K843 HydrophobicContact CG-CD 3.85Å; E839-K843 HydrophobicContact CG-CG 4.26Å; E839-K843 WeakPolarHBondContact O-CB 3.4Å; E839-K843 PolarHBondContact O-N 2.92Å; E839-K843 VanDerWaalsContact OE1-CE 3.3Å; E839-K843 WeakPolarHBondContact OE1-CE 3.35Å; E839-K843 IonicContact OE1-NZ 2.86Å; E839-K843 PolarHBondContact OE1-NZ 2.87Å; C841-K843 VanDerWaalsContact C-N 3.31Å; C841-K843 PolarHBondContact O-N 3.22Å
844	L	94.9	Very high	96.8	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.099	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-39.1	167.4	-80.2	172.1	0	0	0	111.8	F16 R797 L800 L801 A840 C841 V842	F16-L844 HydrophobicContact CE2-CB 4.39Å; F16-L844 HydrophobicContact CZ-CB 4.34Å; R797-L844 HydrophobicContact CG-CD1 4.36Å; R797-L844 HydrophobicContact CG-CD2 3.88Å; R797-L844 HydrophobicContact CG-CG 4.07Å; L800-L844 HydrophobicContact CB-CD1 3.65Å; L800-L844 HydrophobicContact CD1-CD1 3.8Å; L800-L844 HydrophobicContact CG-CD1 4.39Å; L801-L844 HydrophobicContact CD1-CD2 4.03Å; L801-L844 HydrophobicContact CD2-CD2 3.7Å; L801-L844 HydrophobicContact CG-CD2 3.73Å; A840-L844 WeakPolarHBondContact O-CD1 3.46Å; A840-L844 VanDerWaalsContact O-CG 3.29Å; A840-L844 WeakPolarHBondContact O-CG 3.21Å; C841-L844 WeakPolarHBondContact O-CB 3.33Å; C841-L844 PolarHBondContact O-N 2.99Å; V842-L844 VanDerWaalsContact C-N 3.32Å
845	E	94.6	Very high	96.8	Very high	40 Å²	40	43.7 Å²	43.7	19%	0.187	23%	0.225	C	C	.	.	S	Bend	trans	-157.1	133.6	178.5	176.5	170.6	89.5	0	0	110.8	F16 K810 C841 V842 G847 Y848	F16-E845 HydrophobicContact CD2-CB 4.03Å; F16-E845 VanDerWaalsContact CD2-OE2 3.29Å; F16-E845 WeakPolarHBondContact CD2-OE2 3.49Å; F16-E845 HydrophobicContact CE2-CB 3.75Å; K810-E845 IonicContact NZ-OE1 2.88Å; K810-E845 PolarHBondContact NZ-OE1 2.98Å; K810-E845 IonicContact NZ-OE2 2.74Å; K810-E845 PolarHBondContact NZ-OE2 2.99Å; C841-E845 PolarHBondContact O-N 2.93Å; V842-E845 CarbonylContact O-C 3.52Å; E845-G847 PolarHBondContact O-N 3.4Å; E845-Y848 WeakPolarHBondContact O-CB 3.39Å; E845-Y848 PolarHBondContact O-N 3.09Å; E845-Y848 VanDerWaalsContact O-N 3.08Å
846	L	92.9	Very high	96.9	Very high	154 Å²	154	39.3 Å²	39.3	81%	0.806	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	124.2	177.8	-175.1	65.3	0	0	0	109.8
847	G	93.6	Very high	97	Very high	57 Å²	57	39 Å²	39	59%	0.588	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-5.2	-176	0	0	0	0	0	115.2	E845 Q849	E845-G847 PolarHBondContact O-N 3.4Å; G847-Q849 PolarHBondContact O-N 3.2Å
848	Y	97.1	Very high	96.8	Very high	22 Å²	22	39.9 Å²	39.9	9%	0.086	21%	0.21	C	C	.	.			trans	-73.1	99.1	174.9	175.1	-123.4	0	0	0	110.9	L800 K810 P811 C841 E845 P850	L800-Y848 HydrophobicContact CD1-CE1 4.41Å; K810-Y848 HydrophobicContact CB-CE2 4.28Å; P811-Y848 WeakPolarHBondContact CD-OH 3.28Å; P811-Y848 VanDerWaalsContact O-CE2 3.31Å; P811-Y848 WeakPolarHBondContact O-CE2 3.42Å; P811-Y848 PolarHBondContact O-OH 2.99Å; P811-Y848 VanDerWaalsContact O-OH 3.04Å; C841-Y848 HydrophobicContact CB-CD1 3.62Å; C841-Y848 HydrophobicContact CB-CE1 3.75Å; C841-Y848 HydrophobicContact CB-CG 4.48Å; C841-Y848 VanDerWaalsContact CB-O 3.28Å; C841-Y848 WeakPolarHBondContact CB-O 3.41Å; C841-Y848 WeakPolarHBondContact O-CD1 3.25Å; E845-Y848 WeakPolarHBondContact O-CB 3.39Å; E845-Y848 PolarHBondContact O-N 3.09Å; E845-Y848 VanDerWaalsContact O-N 3.08Å; Y848-P850 HydrophobicContact CE1-CG 4.17Å; Y848-P850 HydrophobicContact CE2-CB 4.12Å; Y848-P850 HydrophobicContact CE2-CG 4Å
849	Q	96.8	Very high	96.5	Very high	161 Å²	161	39.4 Å²	39.4	75%	0.752	21%	0.21	S	C	*	.			trans	-125.7	76.5	-177.2	-65.1	-177.1	-6.1	0	0	110.6	G847	G847-Q849 PolarHBondContact O-N 3.2Å
850	P	97.7	Very high	96.1	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.071	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-69.9	149.3	175.9	31.9	-36.4	0	0	0	111.2	P811 T812 I814 C841 Y848 I852	P811-P850 WeakPolarHBondContact O-CB 3.34Å; T812-P850 CarbonylContact O-C 3.52Å; T812-P850 VanDerWaalsContact O-CA 3.29Å; T812-P850 WeakPolarHBondContact O-CA 3.39Å; T812-P850 WeakPolarHBondContact O-CB 3.26Å; I814-P850 HydrophobicContact CD1-CB 4.42Å; I814-P850 HydrophobicContact CD1-CG 3.64Å; I814-P850 HydrophobicContact CG1-CB 4.22Å; I814-P850 HydrophobicContact CG1-CG 3.98Å; C841-P850 HydrophobicContact CB-CG 4.26Å; C841-P850 VanDerWaalsContact SG-CG 3.55Å; Y848-P850 HydrophobicContact CE1-CG 4.17Å; Y848-P850 HydrophobicContact CE2-CB 4.12Å; Y848-P850 HydrophobicContact CE2-CG 4Å; P850-I852 PolarHBondContact O-N 2.85Å
851	G	98	Very high	95.8	Very high	14 Å²	14	46.6 Å²	46.6	14%	0.144	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122	178.4	0	0	0	0	0	111.7	T812 R813 I814 N922	T812-G851 PolarHBondContact O-N 3.01Å; R813-G851 CarbonylContact C-O 3.54Å; R813-G851 VanDerWaalsContact CA-O 3.29Å; R813-G851 WeakPolarHBondContact CA-O 3.35Å; I814-G851 PolarHBondContact N-O 3.11Å; G851-N922 VanDerWaalsContact C-ND2 3.32Å; G851-N922 PolarHBondContact O-ND2 2.89Å
852	I	98.6	Very high	95.6	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.4	-178.8	-58	162.3	0	0	0	110.2	I814 L834 I837 R838 P850 D921	I814-I852 HydrophobicContact CB-CG1 4.29Å; I814-I852 WeakPolarHBondContact O-CA 3.18Å; L834-I852 HydrophobicContact CD1-CB 4.1Å; L834-I852 HydrophobicContact CD1-CD1 3.8Å; L834-I852 HydrophobicContact CD1-CG2 3.71Å; I837-I852 HydrophobicContact CB-CD1 4.21Å; I837-I852 HydrophobicContact CG2-CD1 3.56Å; I837-I852 HydrophobicContact CG2-CG1 4Å; I837-I852 HydrophobicContact CG2-CG2 4.49Å; R838-I852 HydrophobicContact CG-CD1 3.42Å; R838-I852 VanDerWaalsContact CG-CD1 3.42Å; P850-I852 PolarHBondContact O-N 2.85Å; I852-D921 PolarHBondContact N-OD2 2.81Å; I852-D921 PolarHBondContact O-N 2.77Å
853	T	98.7	Very high	95.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.9	165.6	-49.1	0	0	0	0	108.9	I814 Y816 I855 V917 W919 D920 N922 F924 I929	I814-T853 PolarHBondContact O-N 3.45Å; Y816-T853 PolarHBondContact N-O 3.31Å; T853-I855 HydrophobicContact CG2-CD1 4.05Å; T853-I855 HydrophobicContact CG2-CG1 3.93Å; T853-V917 HydrophobicContact CG2-CG1 4.11Å; T853-W919 CarbonylContact C-O 3.56Å; T853-W919 WeakPolarHBondContact CA-O 3.48Å; T853-D920 WeakPolarHBondContact CB-OD1 3.37Å; T853-D920 HydrophobicContact CG2-CB 4.1Å; T853-D920 WeakPolarHBondContact CG2-OD1 3.45Å; T853-D920 PolarHBondContact OG1-OD1 2.79Å; T853-N922 PolarHBondContact OG1-ND2 2.94Å; T853-F924 HydrophobicContact CG2-CD2 4.07Å; T853-F924 HydrophobicContact CG2-CE2 4.25Å; T853-F924 WeakPolarHBondContact OG1-CE2 3.44Å; T853-I929 HydrophobicContact CG2-CD1 4.39Å
854	F	98.6	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.8	-176.6	-163.3	-61	0	0	0	109.4	Y816 R818 V829 L830 E833 I837 V856 V917 L918 W919	Y816-F854 HydrophobicContact CD1-CD1 4.14Å; Y816-F854 AromaticContact CD1-CD2 3.7Å; Y816-F854 HydrophobicContact CD1-CD2 3.7Å; Y816-F854 HydrophobicContact CD1-CE1 4.03Å; Y816-F854 AromaticContact CD1-CE2 3.59Å; Y816-F854 HydrophobicContact CD1-CE2 3.59Å; Y816-F854 AromaticContact CD1-CG 3.97Å; Y816-F854 HydrophobicContact CD1-CG 3.97Å; Y816-F854 AromaticContact CD1-CZ 3.76Å; Y816-F854 HydrophobicContact CD1-CZ 3.76Å; Y816-F854 HydrophobicContact CE1-CD2 4.12Å; Y816-F854 HydrophobicContact CE1-CE1 4.04Å; Y816-F854 AromaticContact CE1-CE2 3.5Å; Y816-F854 HydrophobicContact CE1-CE2 3.5Å; Y816-F854 AromaticContact CE1-CZ 3.45Å; Y816-F854 HydrophobicContact CE1-CZ 3.45Å; Y816-F854 VanDerWaalsContact CE1-CZ 3.45Å; R818-F854 HydrophobicContact CB-CE1 4.1Å; R818-F854 HydrophobicContact CG-CE1 4.38Å; V829-F854 HydrophobicContact CG1-CZ 4.1Å; L830-F854 HydrophobicContact CD1-CD2 4.26Å; L830-F854 HydrophobicContact CD1-CG 4.34Å; E833-F854 HydrophobicContact CB-CE2 3.73Å; E833-F854 HydrophobicContact CB-CZ 4.03Å; I837-F854 HydrophobicContact CD1-CD2 4.49Å; F854-V856 HydrophobicContact CD1-CG2 4.4Å; F854-V856 HydrophobicContact CE1-CG2 3.93Å; F854-V917 CarbonylContact O-C 3.51Å; F854-V917 WeakPolarHBondContact O-CA 3.48Å; F854-L918 HydrophobicContact CD1-CB 4.06Å; F854-L918 HydrophobicContact CD1-CD1 4.3Å; F854-L918 HydrophobicContact CE1-CD1 4.2Å; F854-L918 PolarHBondContact O-N 3.06Å; F854-W919 HydrophobicContact CB-CB 3.77Å; F854-W919 PolarHBondContact N-O 2.87Å; F854-W919 PolarHBondContact O-N 3.07Å
855	I	98.7	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	109.7	-173.6	-47.8	175.6	0	0	0	109	I815 Y816 Y817 R818 T853 Y915 H916 V917 I929	I815-I855 HydrophobicContact CG2-CD1 4.17Å; Y816-I855 PolarHBondContact O-N 3.06Å; Y817-I855 CarbonylContact C-O 3.53Å; Y817-I855 WeakPolarHBondContact CA-O 3.47Å; Y817-I855 HydrophobicContact CD1-CB 3.98Å; Y817-I855 HydrophobicContact CD1-CD1 4.27Å; Y817-I855 HydrophobicContact CD1-CG2 4.06Å; Y817-I855 HydrophobicContact CE1-CB 4.15Å; Y817-I855 HydrophobicContact CE1-CD1 3.68Å; Y817-I855 HydrophobicContact CE1-CG1 4.5Å; Y817-I855 HydrophobicContact CE1-CG2 4.02Å; Y817-I855 HydrophobicContact CE2-CD1 4.46Å; R818-I855 PolarHBondContact N-O 3.12Å; T853-I855 HydrophobicContact CG2-CD1 4.05Å; T853-I855 HydrophobicContact CG2-CG1 3.93Å; I855-Y915 HydrophobicContact CG2-CD1 4.3Å; I855-H916 WeakPolarHBondContact CA-O 3.37Å; I855-V917 HydrophobicContact CG1-CG2 4.35Å; I855-I929 HydrophobicContact CD1-CD1 3.66Å; I855-I929 HydrophobicContact CD1-CG1 3.88Å
856	V	98.4	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135	169.7	172	0	0	0	0	109.4	R818 V821 F826 F854 Q858 Y915 H916 L918	R818-V856 HydrophobicContact CB-CG2 4.47Å; R818-V856 CarbonylContact O-C 3.55Å; R818-V856 WeakPolarHBondContact O-CA 3.44Å; V821-V856 HydrophobicContact CB-CG1 4.08Å; V821-V856 HydrophobicContact CB-CG2 4.45Å; F826-V856 HydrophobicContact CE1-CB 4.32Å; F826-V856 HydrophobicContact CE1-CG1 3.77Å; F826-V856 HydrophobicContact CE1-CG2 4.4Å; F826-V856 HydrophobicContact CZ-CG1 4.16Å; F854-V856 HydrophobicContact CD1-CG2 4.4Å; F854-V856 HydrophobicContact CE1-CG2 3.93Å; V856-Q858 HydrophobicContact CG1-CG 4.06Å; V856-Y915 WeakPolarHBondContact O-CA 3.32Å; V856-H916 PolarHBondContact N-O 3.42Å; V856-H916 PolarHBondContact O-N 3.31Å; V856-L918 HydrophobicContact CG2-CD1 3.45Å; V856-L918 VanDerWaalsContact CG2-CD1 3.45Å; V856-L918 HydrophobicContact CG2-CG 4.04Å
857	V	98.3	Very high	96.3	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	-110.9	129.3	175.5	-172.1	0	0	0	0	108.6	Y817 R818 D819 G820 Y915 I949	Y817-V857 HydrophobicContact CD1-CG2 3.78Å; Y817-V857 HydrophobicContact CG-CG2 4.48Å; R818-V857 PolarHBondContact O-N 3.34Å; D819-V857 WeakPolarHBondContact CA-O 3.15Å; G820-V857 PolarHBondContact N-O 2.95Å; G820-V857 VanDerWaalsContact N-O 3.11Å; V857-Y915 HydrophobicContact CB-CD1 4.46Å; V857-Y915 HydrophobicContact CB-CE1 4.34Å; V857-Y915 HydrophobicContact CG1-CD1 4.21Å; V857-Y915 HydrophobicContact CG1-CE1 3.71Å; V857-Y915 HydrophobicContact CG2-CD1 3.89Å; V857-Y915 HydrophobicContact CG2-CE1 3.84Å; V857-I949 HydrophobicContact CG1-CB 4.21Å; V857-I949 HydrophobicContact CG1-CG2 3.62Å
858	Q	95.5	Very high	96.4	Very high	19 Å²	19	29.4 Å²	29.4	9%	0.089	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	102.7	-179.2	-79	174.3	-18.6	0	0	110.4	V821 F826 V856 H861 H914	V821-Q858 PolarHBondContact O-NE2 2.91Å; F826-Q858 VanDerWaalsContact CZ-NE2 3.33Å; V856-Q858 HydrophobicContact CG1-CG 4.06Å; Q858-H861 PolarHBondContact O-CD2 2.72Å; Q858-H914 HydrophobicContact CB-CB 4.05Å; Q858-H914 PolarHBondContact N-O 3.5Å; Q858-H914 PolarHBondContact O-N 3.1Å; Q858-H914 PolarHBondContact OE1-ND1 2.67Å
859	K	89.9	Confident	96.4	Very high	67 Å²	67	31.4 Å²	31.4	29%	0.291	15%	0.15	S	C	.	.			trans	-89.5	-13.7	172.6	-176.4	172	172.7	177.7	0	113.7	S948 I949	K859-S948 WeakPolarHBondContact CE-OG 3.32Å; K859-S948 PolarHBondContact NZ-OG 3.48Å; K859-I949 HydrophobicContact CB-CG2 4.3Å; K859-I949 HydrophobicContact CD-CG2 4.22Å
860	R	87.9	Confident	96.2	Very high	202 Å²	202	32.3 Å²	32.3	76%	0.762	15%	0.152	S	C	*	.	S	Bend	trans	-109.2	64.2	-172.1	-60.2	-172.7	-167.8	168.9	9.4	112.8
861	H	91.3	Very high	96	Very high	22 Å²	22	39.7 Å²	39.7	10%	0.102	18%	0.183	C	C	.	.			trans	-129.1	177.5	179.9	62.5	101	0	0	0	111	Q858 T863 R864 Y899 R911 P912	Q858-H861 PolarHBondContact O-CD2 2.72Å; H861-T863 PolarHBondContact CE1-O 2.99Å; H861-T863 VanDerWaalsContact ND1-CB 3.3Å; H861-T863 WeakPolarHBondContact ND1-CB 3.47Å; H861-T863 PolarHBondContact ND1-N 3.4Å; H861-T863 PolarHBondContact ND1-OG1 3.34Å; H861-T863 VanDerWaalsContact ND1-OG1 3.15Å; H861-R864 PolarHBondContact O-NH1 3.32Å; H861-R864 PolarHBondContact O-NH2 2.67Å; H861-Y899 AromaticContact CE1-CE1 3.91Å; H861-Y899 AromaticContact ND1-CE1 3.85Å; H861-R911 PolarHBondContact O-NH1 3.18Å; H861-P912 PolarHBondContact CE1-O 3.27Å; H861-P912 PolarHBondContact NE2-O 3.15Å
862	H	93.5	Very high	95.9	Very high	46 Å²	46	39.6 Å²	39.6	21%	0.213	18%	0.179	C	C	.	.			trans	-106.5	-6.9	-173.2	-72.9	-87.1	0	0	0	115.5	N192 H353 N366 D368 R864	N192-H862 PolarHBondContact ND2-O 2.95Å; H353-H862 WeakPolarHBondContact CB-ND1 3.37Å; H353-H862 WeakPolarHBondContact CD2-CB 3.45Å; H353-H862 AromaticContact CD2-CD2 3.94Å; H353-H862 AromaticContact CD2-CG 3.4Å; H353-H862 AromaticContact CD2-ND1 3.87Å; H353-H862 AromaticContact CE1-CD2 3.63Å; H353-H862 AromaticContact CE1-CG 3.89Å; H353-H862 AromaticContact CG-CD2 3.64Å; H353-H862 AromaticContact CG-CE1 3.75Å; H353-H862 AromaticContact CG-CG 3.31Å; H353-H862 AromaticContact CG-ND1 3.41Å; H353-H862 AromaticContact CG-NE2 3.95Å; H353-H862 AromaticContact ND1-CD2 3.45Å; H353-H862 PolarHBondContact ND1-CD2 2.93Å; H353-H862 AromaticContact ND1-CE1 3.92Å; H353-H862 AromaticContact ND1-CG 3.66Å; H353-H862 AromaticContact ND1-ND1 3.96Å; H353-H862 AromaticContact ND1-NE2 3.69Å; H353-H862 AromaticContact NE2-CD2 3.92Å; H353-H862 AromaticContact NE2-CG 3.76Å; N366-H862 VanDerWaalsContact OD1-C 3.31Å; N366-H862 WeakPolarHBondContact OD1-CB 3.33Å; D368-H862 HydrophobicContact CB-CB 3.94Å; D368-H862 IonicContact OD2-ND1 3.28Å; D368-H862 PolarHBondContact OD2-ND1 3.48Å; H862-R864 PolarHBondContact O-N 3.02Å
863	T	96.2	Very high	95.7	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	19%	0.191	C	C	.	.			trans	-56.1	128	167	-33.9	0	0	0	0	112.2	N192 H861 I890 Y899	N192-T863 WeakPolarHBondContact OD1-CA 3.14Å; H861-T863 PolarHBondContact CE1-O 2.99Å; H861-T863 VanDerWaalsContact ND1-CB 3.3Å; H861-T863 WeakPolarHBondContact ND1-CB 3.47Å; H861-T863 PolarHBondContact ND1-N 3.4Å; H861-T863 PolarHBondContact ND1-OG1 3.34Å; H861-T863 VanDerWaalsContact ND1-OG1 3.15Å; T863-I890 HydrophobicContact CG2-CD1 3.74Å; T863-Y899 HydrophobicContact CG2-CD1 4.28Å; T863-Y899 HydrophobicContact CG2-CE1 3.79Å; T863-Y899 HydrophobicContact CG2-CE2 4.19Å; T863-Y899 WeakPolarHBondContact OG1-CE1 3.45Å; T863-Y899 PolarHBondContact OG1-OH 3.32Å
864	R	97.6	Very high	95.4	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.008	20%	0.204	C	C	.	.			trans	-127.9	148.2	170.3	-53.6	-62.9	167.9	-107	-11.7	108.4	A191 N192 D368 H861 H862 F866	A191-R864 WeakPolarHBondContact CA-O 3.16Å; N192-R864 PolarHBondContact N-O 2.74Å; N192-R864 PolarHBondContact OD1-N 3.41Å; N192-R864 PolarHBondContact OD1-O 2.87Å; D368-R864 WeakPolarHBondContact OD1-CG 3.3Å; D368-R864 IonicContact OD1-NE 3.72Å; D368-R864 IonicContact OD2-CZ 3.6Å; D368-R864 IonicContact OD2-NE 2.67Å; D368-R864 PolarHBondContact OD2-NE 3.42Å; D368-R864 IonicContact OD2-NH2 3.67Å; D368-R864 PolarHBondContact OD2-NH2 3.05Å; H861-R864 PolarHBondContact O-NH1 3.32Å; H861-R864 PolarHBondContact O-NH2 2.67Å; H862-R864 PolarHBondContact O-N 3.02Å; R864-F866 HydrophobicContact CB-CE1 4.34Å; R864-F866 HydrophobicContact CB-CE2 3.94Å; R864-F866 HydrophobicContact CB-CZ 3.68Å; R864-F866 HydrophobicContact CG-CZ 4.43Å
865	L	98.4	Very high	95	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.2	179.2	-67.5	174.5	0	0	0	108.1	L189 A191 I558 I880 V886 I890 P912	L189-L865 HydrophobicContact CD1-CD1 4.45Å; A191-L865 HydrophobicContact CB-CD2 3.87Å; I558-L865 HydrophobicContact CD1-CD2 4.36Å; L865-I880 HydrophobicContact CB-CD1 3.84Å; L865-I880 HydrophobicContact CB-CG2 4.49Å; L865-I880 HydrophobicContact CD1-CD1 4.34Å; L865-V886 HydrophobicContact CD1-CB 4.4Å; L865-V886 HydrophobicContact CD1-CG2 3.81Å; L865-V886 HydrophobicContact CD2-CG2 4.35Å; L865-I890 HydrophobicContact CD2-CD1 4Å; L865-P912 HydrophobicContact CB-CG 4.48Å; L865-P912 HydrophobicContact CD1-CB 3.99Å; L865-P912 HydrophobicContact CD1-CG 3.91Å; L865-P912 HydrophobicContact CG-CG 4.04Å
866	F	98.4	Very high	94.7	Very high	5 Å²	5	58.3 Å²	58.3	2%	0.022	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.7	-178.7	-50.7	-75.6	0	0	0	109	L189 R190 N192 A522 E526 I529 M555 R864 T909	L189-F866 CarbonylContact C-O 3.6Å; L189-F866 VanDerWaalsContact CA-O 3.25Å; L189-F866 WeakPolarHBondContact CA-O 3.49Å; R190-F866 PolarHBondContact N-O 3.01Å; R190-F866 PolarHBondContact O-N 2.88Å; N192-F866 HydrophobicContact CB-CE2 4.31Å; A522-F866 HydrophobicContact CB-CD1 4.07Å; A522-F866 HydrophobicContact CB-CE1 4.41Å; A522-F866 WeakPolarHBondContact O-CD1 3.4Å; A522-F866 VanDerWaalsContact O-CE1 3.25Å; A522-F866 WeakPolarHBondContact O-CE1 3.38Å; E526-F866 HydrophobicContact CB-CD1 3.81Å; E526-F866 HydrophobicContact CB-CD2 4.07Å; E526-F866 HydrophobicContact CB-CE1 3.86Å; E526-F866 HydrophobicContact CB-CE2 4.13Å; E526-F866 HydrophobicContact CB-CG 3.91Å; E526-F866 HydrophobicContact CB-CZ 4.03Å; E526-F866 HydrophobicContact CG-CD2 4.1Å; E526-F866 HydrophobicContact CG-CE2 4.41Å; E526-F866 HydrophobicContact CG-CG 4.2Å; E526-F866 WeakPolarHBondContact OE1-CB 3.37Å; I529-F866 HydrophobicContact CD1-CE2 4.46Å; I529-F866 HydrophobicContact CD1-CZ 4.09Å; M555-F866 HydrophobicContact CE-CD2 4.39Å; M555-F866 HydrophobicContact CE-CE2 3.87Å; M555-F866 HydrophobicContact SD-CD2 3.93Å; M555-F866 HydrophobicContact SD-CE2 4Å; R864-F866 HydrophobicContact CB-CE1 4.34Å; R864-F866 HydrophobicContact CB-CE2 3.94Å; R864-F866 HydrophobicContact CB-CZ 3.68Å; R864-F866 HydrophobicContact CG-CZ 4.43Å; F866-T909 HydrophobicContact CD1-CG2 4.45Å; F866-T909 HydrophobicContact CE1-CG2 3.77Å
867	C	98.2	Very high	94.4	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.5	173.9	-48.9	0	0	0	0	109.6	R190 D869 D872 Q873	R190-C867 PolarHBondContact NH2-O 2.8Å; C867-D869 VanDerWaalsContact CB-O 3.24Å; C867-D869 WeakPolarHBondContact CB-O 3.4Å; C867-D872 HydrophobicContact CB-CB 4.1Å; C867-D872 PolarHBondContact SG-O 3.16Å; C867-Q873 HydrophobicContact CB-CG 3.82Å
868	A	96.8	Very high	94.4	Very high	38 Å²	38	59.2 Å²	59.2	31%	0.314	29%	0.288	S	S	.	.	S	Bend	trans	-66.2	-50.8	167.2	0	0	0	0	0	110	S188	S188-A868 WeakPolarHBondContact O-CB 3.41Å; S188-A868 PolarHBondContact O-N 3.23Å
869	D	95.9	Very high	94.4	Very high	64 Å²	64	58.3 Å²	58.3	34%	0.342	28%	0.284	S	S	.	.	S	Bend	trans	-84.4	140.2	176.6	-71.5	-28.7	0	0	0	112.7	C867 K871 D872	C867-D869 VanDerWaalsContact CB-O 3.24Å; C867-D869 WeakPolarHBondContact CB-O 3.4Å; D869-K871 HydrophobicContact CB-CD 3.96Å; D869-K871 HydrophobicContact CB-CG 3.86Å; D869-K871 PolarHBondContact O-N 3.44Å; D869-K871 WeakPolarHBondContact OD2-CE 3.17Å; D869-K871 IonicContact OD2-NZ 3.68Å; D869-K871 PolarHBondContact OD2-NZ 3.39Å; D869-D872 PolarHBondContact O-N 3.41Å
870	K	93.8	Very high	94.8	Very high	180 Å²	180	55.3 Å²	55.3	78%	0.783	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-63.1	-28.3	171.2	-68.7	-179.1	-179.2	175.2	0	112.8	D872 Q873	K870-D872 PolarHBondContact O-N 3.3Å; K870-Q873 WeakPolarHBondContact O-CB 3.24Å; K870-Q873 PolarHBondContact O-N 2.93Å; K870-Q873 VanDerWaalsContact O-N 3.16Å
871	K	94.2	Very high	95.3	Very high	166 Å²	166	46 Å²	46	72%	0.722	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-64.1	-25.6	-177.8	80.9	-156.9	-173.9	-155.6	0	113.5	D869	D869-K871 HydrophobicContact CB-CD 3.96Å; D869-K871 HydrophobicContact CB-CG 3.86Å; D869-K871 PolarHBondContact O-N 3.44Å; D869-K871 WeakPolarHBondContact OD2-CE 3.17Å; D869-K871 IonicContact OD2-NZ 3.68Å; D869-K871 PolarHBondContact OD2-NZ 3.39Å
872	D	95	Very high	95.6	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.064	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-93.6	1.8	179.8	-77.1	-87	0	0	0	113	R185 I187 C867 D869 K870	R185-D872 IonicContact CZ-OD1 2.64Å; R185-D872 IonicContact NH1-OD1 2.83Å; R185-D872 PolarHBondContact NH1-OD1 3.24Å; R185-D872 IonicContact NH2-OD1 3.59Å; R185-D872 PolarHBondContact NH2-OD1 2.68Å; I187-D872 HydrophobicContact CD1-CB 3.88Å; I187-D872 HydrophobicContact CG1-CB 4.29Å; C867-D872 HydrophobicContact CB-CB 4.1Å; C867-D872 PolarHBondContact SG-O 3.16Å; D869-D872 PolarHBondContact O-N 3.41Å; K870-D872 PolarHBondContact O-N 3.3Å
873	Q	95.1	Very high	95.7	Very high	54 Å²	54	43.1 Å²	43.1	25%	0.252	22%	0.224	S	C	.	.			trans	-81	119.8	-179.3	-67	-176.1	5.9	0	0	111.4	C867 K870	C867-Q873 HydrophobicContact CB-CG 3.82Å; K870-Q873 WeakPolarHBondContact O-CB 3.24Å; K870-Q873 PolarHBondContact O-N 2.93Å; K870-Q873 VanDerWaalsContact O-N 3.16Å
874	M	92.5	Very high	95.8	Very high	57 Å²	57	43 Å²	43	28%	0.281	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-93.9	112.7	-171.2	-57.7	-49.7	-43.4	0	0	113.3	L582 S877 N879 P881	L582-M874 HydrophobicContact CD1-CE 3.46Å; L582-M874 VanDerWaalsContact CD1-CE 3.46Å; L582-M874 HydrophobicContact CD2-CE 3.51Å; L582-M874 HydrophobicContact CD2-SD 4.07Å; L582-M874 HydrophobicContact CG-CE 4.06Å; M874-S877 PolarHBondContact O-OG 3.24Å; M874-N879 WeakPolarHBondContact CB-O 3.36Å; M874-N879 PolarHBondContact N-O 2.86Å; M874-P881 HydrophobicContact CG-CB 3.81Å; M874-P881 HydrophobicContact SD-CB 4.29Å
875	G	90.4	Very high	95.9	Very high	62 Å²	62	42.9 Å²	42.9	64%	0.639	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	-173	171.3	0	0	0	0	0	114.5	S877 G878	G875-S877 PolarHBondContact O-N 2.72Å; G875-G878 PolarHBondContact O-N 3.32Å
876	K	91.1	Very high	95.9	Very high	222 Å²	222	42.7 Å²	42.7	97%	0.965	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.1	-175.9	-176.5	166.8	-179.5	171.8	0	114.5
877	S	93.5	Very high	95.8	Very high	10 Å²	10	42.7 Å²	42.7	7%	0.07	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-12.2	177.7	68	0	0	0	0	113.7	S521 A522 M874 G875 N879 G905	S521-S877 WeakPolarHBondContact CB-O 3.33Å; A522-S877 PolarHBondContact N-O 2.93Å; M874-S877 PolarHBondContact O-OG 3.24Å; G875-S877 PolarHBondContact O-N 2.72Å; S877-N879 VanDerWaalsContact C-N 3.31Å; S877-N879 WeakPolarHBondContact CB-ND2 3.39Å; S877-N879 PolarHBondContact O-N 2.61Å; S877-N879 PolarHBondContact O-ND2 2.81Å; S877-N879 PolarHBondContact OG-ND2 2.89Å; S877-G905 WeakPolarHBondContact CB-O 3.28Å; S877-G905 PolarHBondContact OG-O 3.16Å
878	G	96.3	Very high	95.6	Very high	8 Å²	8	44.5 Å²	44.5	8%	0.082	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	23.2	177.6	0	0	0	0	0	115.6	G875	G875-G878 PolarHBondContact O-N 3.32Å
879	N	97.6	Very high	95.4	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-80.8	161.4	-171.7	-82.5	-79.5	0	0	0	114.1	M874 S877 G908 T909 S910	M874-N879 WeakPolarHBondContact CB-O 3.36Å; M874-N879 PolarHBondContact N-O 2.86Å; S877-N879 VanDerWaalsContact C-N 3.31Å; S877-N879 WeakPolarHBondContact CB-ND2 3.39Å; S877-N879 PolarHBondContact O-N 2.61Å; S877-N879 PolarHBondContact O-ND2 2.81Å; S877-N879 PolarHBondContact OG-ND2 2.89Å; N879-G908 PolarHBondContact ND2-O 3.24Å; N879-T909 WeakPolarHBondContact OD1-CA 3.46Å; N879-S910 PolarHBondContact OD1-N 2.77Å; N879-S910 PolarHBondContact OD1-OG 3.08Å
880	I	97.7	Very high	95.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-56.1	147.6	164.8	53.1	165.8	0	0	0	112.1	L189 L865 T884 C901	L189-I880 HydrophobicContact CD2-CG2 3.63Å; L865-I880 HydrophobicContact CB-CD1 3.84Å; L865-I880 HydrophobicContact CB-CG2 4.49Å; L865-I880 HydrophobicContact CD1-CD1 4.34Å; I880-T884 HydrophobicContact CB-CG2 4.28Å; I880-T884 HydrophobicContact CD1-CG2 3.92Å; I880-C901 HydrophobicContact CD1-CB 3.41Å; I880-C901 VanDerWaalsContact CD1-CB 3.41Å; I880-C901 HydrophobicContact CG1-CB 4.24Å
881	P	97.2	Very high	95.4	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.039	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-69.4	154.3	179.4	26.3	-32.7	0	0	0	113.1	I187 V562 M874 G883 T884	I187-P881 HydrophobicContact CD1-CG 3.8Å; V562-P881 HydrophobicContact CG1-CB 4.42Å; V562-P881 HydrophobicContact CG1-CG 4.19Å; V562-P881 HydrophobicContact CG2-CG 3.8Å; M874-P881 HydrophobicContact CG-CB 3.81Å; M874-P881 HydrophobicContact SD-CB 4.29Å; P881-G883 PolarHBondContact O-N 2.89Å; P881-T884 WeakPolarHBondContact CD-OG1 3.32Å; P881-T884 WeakPolarHBondContact CG-OG1 3.36Å; P881-T884 WeakPolarHBondContact O-CB 3.24Å; P881-T884 PolarHBondContact O-N 3.24Å; P881-T884 PolarHBondContact O-OG1 3.29Å
882	A	97.3	Very high	95.4	Very high	8 Å²	8	27 Å²	27	7%	0.066	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	133.7	172.4	0	0	0	0	0	110.6	C901 Y934	A882-C901 CarbonylContact C-O 3.45Å; A882-C901 WeakPolarHBondContact CA-O 3.45Å; A882-Y934 VanDerWaalsContact C-OH 3.25Å; A882-Y934 PolarHBondContact O-OH 2.87Å
883	G	97.4	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-4.1	-173.9	0	0	0	0	0	114.1	I563 P881 T885 C901 Y934	I563-G883 PolarHBondContact N-O 2.88Å; P881-G883 PolarHBondContact O-N 2.89Å; G883-T885 PolarHBondContact O-N 3.49Å; G883-T885 PolarHBondContact O-OG1 3.08Å; G883-C901 PolarHBondContact N-O 2.94Å; G883-Y934 WeakPolarHBondContact CA-OH 3.5Å; G883-Y934 PolarHBondContact N-OH 3.47Å
884	T	98.4	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	121.7	173	-59.5	0	0	0	0	110.5	I187 L189 R561 I880 P881 C901	I187-T884 HydrophobicContact CG2-CG2 4.22Å; L189-T884 HydrophobicContact CD1-CG2 3.65Å; L189-T884 HydrophobicContact CD2-CG2 4.25Å; R561-T884 CarbonylContact O-C 3.56Å; R561-T884 WeakPolarHBondContact O-CA 3.38Å; I880-T884 HydrophobicContact CB-CG2 4.28Å; I880-T884 HydrophobicContact CD1-CG2 3.92Å; P881-T884 WeakPolarHBondContact CD-OG1 3.32Å; P881-T884 WeakPolarHBondContact CG-OG1 3.36Å; P881-T884 WeakPolarHBondContact O-CB 3.24Å; P881-T884 PolarHBondContact O-N 3.24Å; P881-T884 PolarHBondContact O-OG1 3.29Å; T884-C901 PolarHBondContact O-N 2.91Å
885	T	98.6	Very high	95.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.8	-172.1	-55	0	0	0	0	110	G560 R561 I563 G883 F898 Y899 L900 Q930	G560-T885 WeakPolarHBondContact CA-O 3.39Å; R561-T885 PolarHBondContact N-O 2.67Å; R561-T885 PolarHBondContact O-N 3.39Å; I563-T885 HydrophobicContact CD1-CG2 4Å; I563-T885 WeakPolarHBondContact CD1-OG1 3.43Å; G883-T885 PolarHBondContact O-N 3.49Å; G883-T885 PolarHBondContact O-OG1 3.08Å; T885-F898 HydrophobicContact CG2-CD2 4.45Å; T885-Y899 CarbonylContact C-O 3.51Å; T885-Y899 VanDerWaalsContact CA-O 3.26Å; T885-Y899 WeakPolarHBondContact CA-O 3.5Å; T885-L900 WeakPolarHBondContact OG1-CD1 3.49Å; T885-Q930 HydrophobicContact CG2-CB 4.46Å; T885-Q930 HydrophobicContact CG2-CG 4.07Å
886	V	98.2	Very high	95.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	114.4	179.4	172.6	0	0	0	0	109.3	L189 I558 L865 Q888 I890 Y899	L189-V886 HydrophobicContact CD1-CG2 3.59Å; I558-V886 HydrophobicContact CD1-CG1 4.32Å; I558-V886 HydrophobicContact CG2-CG1 3.82Å; I558-V886 HydrophobicContact CG2-CG2 4.26Å; L865-V886 HydrophobicContact CD1-CB 4.4Å; L865-V886 HydrophobicContact CD1-CG2 3.81Å; L865-V886 HydrophobicContact CD2-CG2 4.35Å; V886-Q888 WeakPolarHBondContact CG1-O 3.41Å; V886-I890 HydrophobicContact CG1-CD1 4.17Å; V886-I890 HydrophobicContact CG1-CG1 3.93Å; V886-Y899 PolarHBondContact N-O 2.97Å; V886-Y899 PolarHBondContact O-N 3.18Å
887	D	97.1	Very high	95.7	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.021	6%	0.064	C	C	.	.			trans	-119.9	12.9	177.7	54.5	-21.6	0	0	0	113.3	R177 G181 Q360 R561 T891 F898 Q930	R177-D887 PolarHBondContact NH1-O 3.24Å; G181-D887 PolarHBondContact N-OD2 3.5Å; Q360-D887 PolarHBondContact NE2-O 3.46Å; R561-D887 IonicContact CZ-OD1 2.63Å; R561-D887 IonicContact NH2-OD1 2.66Å; R561-D887 PolarHBondContact NH2-OD1 3.45Å; R561-D887 IonicContact NH2-OD2 3.03Å; R561-D887 PolarHBondContact NH2-OD2 3.46Å; D887-T891 PolarHBondContact O-OG1 2.73Å; D887-F898 HydrophobicContact CB-CB 3.86Å; D887-Q930 PolarHBondContact OD2-NE2 3.46Å
888	Q	93.6	Very high	95.9	Very high	40 Å²	40	10.9 Å²	10.9	19%	0.187	6%	0.061	C	C	.	.	S	Bend	trans	-136.9	164.9	-179.8	60	179.9	-1.7	0	0	114	Q360 Q559 V886 I890 T891	Q360-Q888 VanDerWaalsContact OE1-CA 3.28Å; Q559-Q888 PolarHBondContact O-NE2 3.09Å; V886-Q888 WeakPolarHBondContact CG1-O 3.41Å; Q888-I890 PolarHBondContact O-N 2.71Å; Q888-T891 WeakPolarHBondContact CA-OG1 3.36Å; Q888-T891 PolarHBondContact N-OG1 3.42Å
889	V	92.6	Very high	96.1	Very high	43 Å²	43	10.5 Å²	10.5	26%	0.261	6%	0.057	S	C	.	.	S	Bend	trans	67.5	-56.1	178	-174	0	0	0	0	115	S359 M364 I558	S359-V889 WeakPolarHBondContact CB-O 3.37Å; S359-V889 PolarHBondContact OG-O 3.36Å; M364-V889 HydrophobicContact CE-CG1 4.09Å; I558-V889 HydrophobicContact CD1-CB 4.5Å; I558-V889 HydrophobicContact CG1-CB 4.23Å; I558-V889 HydrophobicContact CG1-CG1 4.31Å; I558-V889 HydrophobicContact CG2-CG2 4.44Å
890	I	95.2	Very high	96.1	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	6%	0.057	C	C	.	.	S	Bend	trans	-104.3	1.1	-176.1	62.3	171.2	0	0	0	114.1	A191 H193 M364 A556 I558 T863 L865 V886 Q888 Y899	A191-I890 HydrophobicContact CB-CD1 4.02Å; A191-I890 HydrophobicContact CB-CG2 4.19Å; H193-I890 HydrophobicContact CB-CG2 3.89Å; M364-I890 HydrophobicContact CE-CG2 4.44Å; A556-I890 HydrophobicContact CB-CG2 4.46Å; I558-I890 HydrophobicContact CD1-CB 4.27Å; I558-I890 HydrophobicContact CD1-CD1 3.68Å; I558-I890 HydrophobicContact CD1-CG1 3.77Å; I558-I890 HydrophobicContact CD1-CG2 3.6Å; T863-I890 HydrophobicContact CG2-CD1 3.74Å; L865-I890 HydrophobicContact CD2-CD1 4Å; V886-I890 HydrophobicContact CG1-CD1 4.17Å; V886-I890 HydrophobicContact CG1-CG1 3.93Å; Q888-I890 PolarHBondContact O-N 2.71Å; I890-Y899 HydrophobicContact CD1-CD2 4.05Å; I890-Y899 HydrophobicContact CD1-CE2 3.91Å; I890-Y899 HydrophobicContact CG1-CD2 4.22Å; I890-Y899 HydrophobicContact CG1-CE2 3.95Å
891	T	95.2	Very high	96.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-90.2	167.9	175.2	42.8	0	0	0	0	111.5	S359 Q360 D887 Q888 D897 Y899	S359-T891 CarbonylContact C-O 3.53Å; S359-T891 WeakPolarHBondContact CA-O 3.48Å; S359-T891 WeakPolarHBondContact CB-O 3.29Å; Q360-T891 PolarHBondContact N-O 2.88Å; Q360-T891 PolarHBondContact NE2-OG1 3.07Å; Q360-T891 VanDerWaalsContact NE2-OG1 3.08Å; D887-T891 PolarHBondContact O-OG1 2.73Å; Q888-T891 WeakPolarHBondContact CA-OG1 3.36Å; Q888-T891 PolarHBondContact N-OG1 3.42Å; T891-D897 VanDerWaalsContact CA-OD2 3.27Å; T891-D897 WeakPolarHBondContact CA-OD2 3.39Å; T891-D897 WeakPolarHBondContact CB-OD1 3.47Å; T891-D897 WeakPolarHBondContact CB-OD2 3.48Å; T891-Y899 HydrophobicContact CG2-CD2 4Å; T891-Y899 HydrophobicContact CG2-CE2 4.11Å
892	H	93.4	Very high	96.2	Very high	34 Å²	34	10 Å²	10	16%	0.157	5%	0.054	C	C	.	.			trans	-55.4	141	-177.9	-151.1	-109.3	0	0	0	111.8	R177 I304 T894 E895 D897	R177-H892 PolarHBondContact NH2-O 2.86Å; I304-H892 VanDerWaalsContact CD1-CE1 3.5Å; I304-H892 WeakPolarHBondContact CD1-CE1 3.27Å; I304-H892 WeakPolarHBondContact CD1-NE2 3.36Å; H892-T894 VanDerWaalsContact C-N 3.31Å; H892-T894 PolarHBondContact O-N 3.32Å; H892-E895 HydrophobicContact CB-CB 4.13Å; H892-E895 IonicContact CD2-OE2 2.95Å; H892-E895 VanDerWaalsContact CE1-CD 3.45Å; H892-E895 IonicContact CE1-OE2 3.69Å; H892-E895 PolarHBondContact CE1-OE2 3.09Å; H892-E895 IonicContact CG-OE2 3.45Å; H892-E895 WeakPolarHBondContact ND1-CB 3.45Å; H892-E895 VanDerWaalsContact ND1-CG 3.28Å; H892-E895 WeakPolarHBondContact ND1-CG 3.44Å; H892-E895 PolarHBondContact ND1-N 2.86Å; H892-E895 IonicContact ND1-OE2 2.72Å; H892-E895 PolarHBondContact ND1-OE2 3.15Å; H892-E895 IonicContact NE2-OE2 2.93Å; H892-D897 VanDerWaalsContact CB-OD1 3.3Å; H892-D897 WeakPolarHBondContact CB-OD1 3.15Å; H892-D897 VanDerWaalsContact N-CG 3.27Å; H892-D897 PolarHBondContact N-OD1 2.97Å; H892-D897 PolarHBondContact N-OD2 2.81Å
893	P	91.4	Very high	96.2	Very high	20 Å²	20	11.3 Å²	11.3	13%	0.13	6%	0.058	C	C	.	.	S	Bend	trans	-60	-40.2	-179.2	22.9	-33.6	0	0	0	112.4	I304	I304-P893 HydrophobicContact CD1-CG 3.66Å; I304-P893 HydrophobicContact CG1-CG 4.47Å
894	T	91.2	Very high	96	Very high	16 Å²	16	12.5 Å²	12.5	10%	0.098	7%	0.069	C	C	.	.	S	Bend	trans	-122.4	-22.3	-167.1	52.9	0	0	0	0	115.6	A176 R177 R302 H892	A176-T894 WeakPolarHBondContact CA-O 3.29Å; R177-T894 PolarHBondContact N-O 3.24Å; R302-T894 PolarHBondContact O-OG1 2.98Å; H892-T894 VanDerWaalsContact C-N 3.31Å; H892-T894 PolarHBondContact O-N 3.32Å
895	E	94.3	Very high	95.7	Very high	37 Å²	37	13.2 Å²	13.2	17%	0.173	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-95.9	165.6	-174.3	-63.5	175.9	150.6	0	0	111.8	P174 R177 H892 D897 H916	P174-E895 HydrophobicContact CB-CG 4.17Å; P174-E895 WeakPolarHBondContact CG-OE1 3.07Å; R177-E895 VanDerWaalsContact CZ-O 3.24Å; R177-E895 PolarHBondContact NH2-O 3.3Å; H892-E895 HydrophobicContact CB-CB 4.13Å; H892-E895 IonicContact CD2-OE2 2.95Å; H892-E895 VanDerWaalsContact CE1-CD 3.45Å; H892-E895 IonicContact CE1-OE2 3.69Å; H892-E895 PolarHBondContact CE1-OE2 3.09Å; H892-E895 IonicContact CG-OE2 3.45Å; H892-E895 WeakPolarHBondContact ND1-CB 3.45Å; H892-E895 VanDerWaalsContact ND1-CG 3.28Å; H892-E895 WeakPolarHBondContact ND1-CG 3.44Å; H892-E895 PolarHBondContact ND1-N 2.86Å; H892-E895 IonicContact ND1-OE2 2.72Å; H892-E895 PolarHBondContact ND1-OE2 3.15Å; H892-E895 IonicContact NE2-OE2 2.93Å; E895-D897 PolarHBondContact O-N 3.24Å; E895-H916 IonicContact OE2-CE1 3.18Å; E895-H916 PolarHBondContact OE2-CE1 3.19Å; E895-H916 IonicContact OE2-NE2 3.91Å; E895-H916 PolarHBondContact OE2-NE2 2.9Å
896	F	96.5	Very high	95.3	Very high	3 Å²	3	19 Å²	19	1%	0.013	11%	0.105	C	C	.	.			trans	-91.8	79.2	-173.9	-169.8	-171.3	0	0	0	112.9	P175 R177 P178 V917 A926 I929	P175-F896 HydrophobicContact CG-CB 4.42Å; P175-F896 PolarHBondContact O-N 3.47Å; R177-F896 HydrophobicContact CG-CD2 4.47Å; P178-F896 VanDerWaalsContact CD-CD1 3.47Å; P178-F896 HydrophobicContact CG-CD1 3.93Å; P178-F896 HydrophobicContact CG-CD2 4.44Å; P178-F896 HydrophobicContact CG-CE1 3.51Å; P178-F896 HydrophobicContact CG-CE2 4.08Å; P178-F896 HydrophobicContact CG-CG 4.37Å; P178-F896 HydrophobicContact CG-CZ 3.58Å; F896-V917 HydrophobicContact CB-CB 4.12Å; F896-V917 HydrophobicContact CB-CG2 4.49Å; F896-V917 HydrophobicContact CD1-CB 3.86Å; F896-V917 HydrophobicContact CD1-CG1 4.17Å; F896-V917 HydrophobicContact CD1-CG2 3.79Å; F896-V917 HydrophobicContact CD2-CG2 4.49Å; F896-V917 HydrophobicContact CE1-CG2 4.13Å; F896-V917 HydrophobicContact CG-CB 4.09Å; F896-V917 HydrophobicContact CG-CG2 4Å; F896-V917 PolarHBondContact O-N 2.99Å; F896-A926 HydrophobicContact CE2-CB 4.34Å; F896-I929 HydrophobicContact CE1-CG2 4.27Å; F896-I929 HydrophobicContact CE2-CG2 4.01Å; F896-I929 HydrophobicContact CZ-CG2 3.49Å; F896-I929 VanDerWaalsContact CZ-CG2 3.49Å
897	D	97.4	Very high	94.8	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154.3	175.5	71.6	-40	0	0	0	114.2	R177 T891 H892 E895 H914 Y915 H916	R177-D897 IonicContact CZ-OD1 3.31Å; R177-D897 PolarHBondContact NH1-O 2.86Å; R177-D897 IonicContact NH1-OD1 2.93Å; R177-D897 IonicContact NH2-OD1 2.86Å; R177-D897 PolarHBondContact NH2-OD1 3.4Å; T891-D897 VanDerWaalsContact CA-OD2 3.27Å; T891-D897 WeakPolarHBondContact CA-OD2 3.39Å; T891-D897 WeakPolarHBondContact CB-OD1 3.47Å; T891-D897 WeakPolarHBondContact CB-OD2 3.48Å; H892-D897 VanDerWaalsContact CB-OD1 3.3Å; H892-D897 WeakPolarHBondContact CB-OD1 3.15Å; H892-D897 VanDerWaalsContact N-CG 3.27Å; H892-D897 PolarHBondContact N-OD1 2.97Å; H892-D897 PolarHBondContact N-OD2 2.81Å; E895-D897 PolarHBondContact O-N 3.24Å; D897-H914 IonicContact OD2-NE2 2.68Å; D897-H914 PolarHBondContact OD2-NE2 2.79Å; D897-Y915 CarbonylContact C-O 3.54Å; D897-Y915 WeakPolarHBondContact CA-O 3.49Å; D897-H916 HydrophobicContact CB-CB 4.23Å
898	F	98.4	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	153.4	174.3	61.6	-86	0	0	0	112.5	T885 D887 L900 Y915 I929 Q930 T933	T885-F898 HydrophobicContact CG2-CD2 4.45Å; D887-F898 HydrophobicContact CB-CB 3.86Å; F898-L900 HydrophobicContact CD2-CB 4.24Å; F898-L900 HydrophobicContact CE2-CB 4.25Å; F898-Y915 AromaticContact CD2-CD2 3.99Å; F898-Y915 HydrophobicContact CD2-CD2 3.99Å; F898-Y915 HydrophobicContact CD2-CG 4.36Å; F898-Y915 AromaticContact CE2-CD2 3.63Å; F898-Y915 HydrophobicContact CE2-CD2 3.63Å; F898-Y915 HydrophobicContact CE2-CE2 4.47Å; F898-Y915 AromaticContact CE2-CG 3.76Å; F898-Y915 HydrophobicContact CE2-CG 3.76Å; F898-Y915 HydrophobicContact CZ-CD2 4.26Å; F898-Y915 AromaticContact CZ-CG 3.9Å; F898-Y915 HydrophobicContact CZ-CG 3.9Å; F898-Y915 PolarHBondContact N-O 2.81Å; F898-Y915 PolarHBondContact O-N 2.82Å; F898-I929 HydrophobicContact CE1-CG2 3.72Å; F898-I929 HydrophobicContact CZ-CG2 4.17Å; F898-Q930 HydrophobicContact CD1-CG 4.19Å; F898-Q930 HydrophobicContact CD2-CG 3.76Å; F898-Q930 HydrophobicContact CE1-CG 4.26Å; F898-Q930 HydrophobicContact CE2-CB 4.46Å; F898-Q930 HydrophobicContact CE2-CG 3.83Å; F898-Q930 HydrophobicContact CG-CG 3.95Å; F898-Q930 HydrophobicContact CZ-CG 4.08Å; F898-T933 HydrophobicContact CE2-CG2 4.48Å
899	Y	98.5	Very high	94.6	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.8	168.4	-64.7	-84.9	0	0	0	110.1	H861 T863 T885 V886 I890 T891 S913 H914	H861-Y899 AromaticContact CE1-CE1 3.91Å; H861-Y899 AromaticContact ND1-CE1 3.85Å; T863-Y899 HydrophobicContact CG2-CD1 4.28Å; T863-Y899 HydrophobicContact CG2-CE1 3.79Å; T863-Y899 HydrophobicContact CG2-CE2 4.19Å; T863-Y899 WeakPolarHBondContact OG1-CE1 3.45Å; T863-Y899 PolarHBondContact OG1-OH 3.32Å; T885-Y899 CarbonylContact C-O 3.51Å; T885-Y899 VanDerWaalsContact CA-O 3.26Å; T885-Y899 WeakPolarHBondContact CA-O 3.5Å; V886-Y899 PolarHBondContact N-O 2.97Å; V886-Y899 PolarHBondContact O-N 3.18Å; I890-Y899 HydrophobicContact CD1-CD2 4.05Å; I890-Y899 HydrophobicContact CD1-CE2 3.91Å; I890-Y899 HydrophobicContact CG1-CD2 4.22Å; I890-Y899 HydrophobicContact CG1-CE2 3.95Å; T891-Y899 HydrophobicContact CG2-CD2 4Å; T891-Y899 HydrophobicContact CG2-CE2 4.11Å; Y899-S913 WeakPolarHBondContact CA-O 3.44Å; Y899-H914 HydrophobicContact CD1-CB 3.75Å; Y899-H914 AromaticContact CD1-CD2 3.76Å; Y899-H914 HydrophobicContact CE1-CB 3.58Å; Y899-H914 AromaticContact CE1-CD2 3.42Å; Y899-H914 VanDerWaalsContact CE1-CD2 3.42Å; Y899-H914 WeakPolarHBondContact CE1-CD2 3.29Å; Y899-H914 AromaticContact CE1-CG 3.67Å; Y899-H914 AromaticContact CE2-CD2 3.85Å; Y899-H914 AromaticContact CZ-CD2 3.46Å; Y899-H914 VanDerWaalsContact CZ-CD2 3.46Å; Y899-H914 AromaticContact CZ-NE2 3.97Å
900	L	98.7	Very high	94.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	114.4	173.2	160	66.3	0	0	0	110.5	T885 F898 S902 S913 Y915 T933 Y934	T885-L900 WeakPolarHBondContact OG1-CD1 3.49Å; F898-L900 HydrophobicContact CD2-CB 4.24Å; F898-L900 HydrophobicContact CE2-CB 4.25Å; L900-S902 VanDerWaalsContact C-N 3.31Å; L900-S902 PolarHBondContact O-N 3.34Å; L900-S902 VanDerWaalsContact O-N 3.14Å; L900-S913 PolarHBondContact N-O 2.76Å; L900-S913 PolarHBondContact O-N 3.41Å; L900-Y915 HydrophobicContact CB-CD2 4.13Å; L900-Y915 HydrophobicContact CB-CE2 3.75Å; L900-Y915 HydrophobicContact CD2-CE2 4.3Å; L900-Y915 HydrophobicContact CG-CE2 4.33Å; L900-T933 HydrophobicContact CD2-CG2 3.84Å; L900-Y934 HydrophobicContact CD1-CD2 4.07Å; L900-Y934 HydrophobicContact CD1-CG 4.25Å; L900-Y934 HydrophobicContact CD2-CD2 4.45Å; L900-Y934 HydrophobicContact CD2-CG 4.48Å
901	C	98.3	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	74.1	169.4	-163.2	0	0	0	0	110.3	I880 A882 G883 T884 H903 P912	I880-C901 HydrophobicContact CD1-CB 3.41Å; I880-C901 VanDerWaalsContact CD1-CB 3.41Å; I880-C901 HydrophobicContact CG1-CB 4.24Å; A882-C901 CarbonylContact C-O 3.45Å; A882-C901 WeakPolarHBondContact CA-O 3.45Å; G883-C901 PolarHBondContact N-O 2.94Å; T884-C901 PolarHBondContact O-N 2.91Å; C901-H903 PolarHBondContact O-N 2.98Å; C901-H903 VanDerWaalsContact O-N 3.07Å; C901-P912 HydrophobicContact CB-CB 3.91Å
902	S	98	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.			trans	-65.9	-6.7	-177.4	57	0	0	0	0	115.6	L900 Y934 C937 S946 V947 S948	L900-S902 VanDerWaalsContact C-N 3.31Å; L900-S902 PolarHBondContact O-N 3.34Å; L900-S902 VanDerWaalsContact O-N 3.14Å; S902-Y934 WeakPolarHBondContact O-CE2 3.43Å; S902-C937 VanDerWaalsContact CB-SG 3.53Å; S902-C937 PolarHBondContact OG-SG 3.2Å; S902-S946 WeakPolarHBondContact O-CB 3.4Å; S902-S946 PolarHBondContact O-OG 2.91Å; S902-V947 WeakPolarHBondContact CB-O 3.45Å; S902-V947 PolarHBondContact OG-O 3.25Å; S902-S948 VanDerWaalsContact OG-C 3.26Å; S902-S948 VanDerWaalsContact OG-CA 3.32Å; S902-S948 WeakPolarHBondContact OG-CA 3.42Å; S902-S948 PolarHBondContact OG-O 2.93Å
903	H	97	Very high	95.2	Very high	34 Å²	34	26.9 Å²	26.9	16%	0.157	14%	0.142	C	C	.	.	S	Bend	trans	-129	151.6	-166.4	65.5	-71.2	0	0	0	113.1	C901 G905 R911 S946 S948	C901-H903 PolarHBondContact O-N 2.98Å; C901-H903 VanDerWaalsContact O-N 3.07Å; H903-G905 PolarHBondContact O-N 2.82Å; H903-R911 PolarHBondContact CE1-O 2.88Å; H903-S946 WeakPolarHBondContact CB-O 3.32Å; H903-S948 WeakPolarHBondContact ND1-CA 3.38Å; H903-S948 WeakPolarHBondContact ND1-CB 3.33Å
904	A	94.8	Very high	95.5	Very high	26 Å²	26	26 Å²	26	22%	0.215	14%	0.137	C	C	.	.			trans	-71.9	123.8	173.8	0	0	0	0	0	111.5	L582 V584 I906	L582-A904 WeakPolarHBondContact O-CB 3.35Å; V584-A904 HydrophobicContact CG2-CB 4.43Å; A904-I906 PolarHBondContact O-N 2.91Å
905	G	91.9	Very high	95.8	Very high	14 Å²	14	25.2 Å²	25.2	14%	0.144	13%	0.132	C	C	.	.			trans	-72.9	89.3	175.6	0	0	0	0	0	112.4	S877 H903 S910	S877-G905 WeakPolarHBondContact CB-O 3.28Å; S877-G905 PolarHBondContact OG-O 3.16Å; H903-G905 PolarHBondContact O-N 2.82Å; G905-S910 VanDerWaalsContact CA-OG 3.26Å; G905-S910 WeakPolarHBondContact CA-OG 3.04Å
906	I	89.6	Confident	96	Very high	121 Å²	121	23.8 Å²	23.8	62%	0.621	13%	0.125	S	C	*	.			trans	-68.2	-41.5	-177.5	-53.1	176.7	0	0	0	111.9	A904	A904-I906 PolarHBondContact O-N 2.91Å
907	Q	87.7	Confident	96.1	Very high	142 Å²	142	23.7 Å²	23.7	66%	0.664	13%	0.125	S	C	*	.	S	Bend	trans	-147.6	146.4	-174.5	-178.1	-177	2.6	0	0	109.1
908	G	92.2	Very high	96.1	Very high	18 Å²	18	23.5 Å²	23.5	19%	0.186	12%	0.124	C	C	.	.	S	Bend	trans	75.9	-157.5	179.6	0	0	0	0	0	112.6	R520 N879	R520-G908 CarbonylContact O-C 3.57Å; R520-G908 WeakPolarHBondContact O-CA 3.43Å; N879-G908 PolarHBondContact ND2-O 3.24Å
909	T	94.8	Very high	96.1	Very high	22 Å²	22	26.1 Å²	26.1	14%	0.135	13%	0.134	C	C	.	.			trans	-100.2	133.3	166	-45.9	0	0	0	0	109.9	R520 A522 R525 F866 N879	R520-T909 PolarHBondContact O-N 2.86Å; A522-T909 HydrophobicContact CB-CG2 4.02Å; R525-T909 WeakPolarHBondContact CB-OG1 3.48Å; R525-T909 VanDerWaalsContact CD-OG1 3.24Å; R525-T909 WeakPolarHBondContact CD-OG1 3.44Å; F866-T909 HydrophobicContact CD1-CG2 4.45Å; F866-T909 HydrophobicContact CE1-CG2 3.77Å; N879-T909 WeakPolarHBondContact OD1-CA 3.46Å
910	S	95.5	Very high	96.1	Very high	8 Å²	8	27.3 Å²	27.3	6%	0.056	14%	0.14	C	C	.	.			trans	-60	152.4	175.8	-68.8	0	0	0	0	112.3	N879 G905	N879-S910 PolarHBondContact OD1-N 2.77Å; N879-S910 PolarHBondContact OD1-OG 3.08Å; G905-S910 VanDerWaalsContact CA-OG 3.26Å; G905-S910 WeakPolarHBondContact CA-OG 3.04Å
911	R	96.2	Very high	96	Very high	98 Å²	98	30.1 Å²	30.1	37%	0.37	16%	0.155	S	C	.	.			trans	-109.3	99.2	171.6	-67.7	-178	176.9	-110.8	-0.7	108.4	H861 H903 S913	H861-R911 PolarHBondContact O-NH1 3.18Å; H903-R911 PolarHBondContact CE1-O 2.88Å; R911-S913 PolarHBondContact O-N 2.79Å; R911-S913 VanDerWaalsContact O-N 3.1Å
912	P	97.9	Very high	95.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.164	C	C	.	.			trans	-69.4	107.1	-179.6	28.9	-32.9	0	0	0	108.3	H861 L865 C901 H914	H861-P912 PolarHBondContact CE1-O 3.27Å; H861-P912 PolarHBondContact NE2-O 3.15Å; L865-P912 HydrophobicContact CB-CG 4.48Å; L865-P912 HydrophobicContact CD1-CB 3.99Å; L865-P912 HydrophobicContact CD1-CG 3.91Å; L865-P912 HydrophobicContact CG-CG 4.04Å; C901-P912 HydrophobicContact CB-CB 3.91Å; P912-H914 PolarHBondContact O-N 2.7Å
913	S	98.3	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	135.8	-173.8	-63.3	0	0	0	0	110.5	Y899 L900 R911 Y915 S948	Y899-S913 WeakPolarHBondContact CA-O 3.44Å; L900-S913 PolarHBondContact N-O 2.76Å; L900-S913 PolarHBondContact O-N 3.41Å; R911-S913 PolarHBondContact O-N 2.79Å; R911-S913 VanDerWaalsContact O-N 3.1Å; S913-Y915 VanDerWaalsContact O-CD2 3.27Å; S913-Y915 WeakPolarHBondContact O-CD2 3.28Å; S913-Y915 WeakPolarHBondContact O-CE2 3.45Å; S913-S948 WeakPolarHBondContact CB-O 3.48Å; S913-S948 PolarHBondContact OG-O 2.82Å
914	H	98.2	Very high	95.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.4	178	-175.9	-128.9	0	0	0	109.5	Q858 D897 Y899 P912	Q858-H914 HydrophobicContact CB-CB 4.05Å; Q858-H914 PolarHBondContact N-O 3.5Å; Q858-H914 PolarHBondContact O-N 3.1Å; Q858-H914 PolarHBondContact OE1-ND1 2.67Å; D897-H914 IonicContact OD2-NE2 2.68Å; D897-H914 PolarHBondContact OD2-NE2 2.79Å; Y899-H914 HydrophobicContact CD1-CB 3.75Å; Y899-H914 AromaticContact CD1-CD2 3.76Å; Y899-H914 HydrophobicContact CE1-CB 3.58Å; Y899-H914 AromaticContact CE1-CD2 3.42Å; Y899-H914 VanDerWaalsContact CE1-CD2 3.42Å; Y899-H914 WeakPolarHBondContact CE1-CD2 3.29Å; Y899-H914 AromaticContact CE1-CG 3.67Å; Y899-H914 AromaticContact CE2-CD2 3.85Å; Y899-H914 AromaticContact CZ-CD2 3.46Å; Y899-H914 VanDerWaalsContact CZ-CD2 3.46Å; Y899-H914 AromaticContact CZ-NE2 3.97Å; P912-H914 PolarHBondContact O-N 2.7Å
915	Y	98.6	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.1	-179.7	-61.2	-90.6	0	0	0	107.8	I855 V856 V857 D897 F898 L900 S913 T933 P950	I855-Y915 HydrophobicContact CG2-CD1 4.3Å; V856-Y915 WeakPolarHBondContact O-CA 3.32Å; V857-Y915 HydrophobicContact CB-CD1 4.46Å; V857-Y915 HydrophobicContact CB-CE1 4.34Å; V857-Y915 HydrophobicContact CG1-CD1 4.21Å; V857-Y915 HydrophobicContact CG1-CE1 3.71Å; V857-Y915 HydrophobicContact CG2-CD1 3.89Å; V857-Y915 HydrophobicContact CG2-CE1 3.84Å; D897-Y915 CarbonylContact C-O 3.54Å; D897-Y915 WeakPolarHBondContact CA-O 3.49Å; F898-Y915 AromaticContact CD2-CD2 3.99Å; F898-Y915 HydrophobicContact CD2-CD2 3.99Å; F898-Y915 HydrophobicContact CD2-CG 4.36Å; F898-Y915 AromaticContact CE2-CD2 3.63Å; F898-Y915 HydrophobicContact CE2-CD2 3.63Å; F898-Y915 HydrophobicContact CE2-CE2 4.47Å; F898-Y915 AromaticContact CE2-CG 3.76Å; F898-Y915 HydrophobicContact CE2-CG 3.76Å; F898-Y915 HydrophobicContact CZ-CD2 4.26Å; F898-Y915 AromaticContact CZ-CG 3.9Å; F898-Y915 HydrophobicContact CZ-CG 3.9Å; F898-Y915 PolarHBondContact N-O 2.81Å; F898-Y915 PolarHBondContact O-N 2.82Å; L900-Y915 HydrophobicContact CB-CD2 4.13Å; L900-Y915 HydrophobicContact CB-CE2 3.75Å; L900-Y915 HydrophobicContact CD2-CE2 4.3Å; L900-Y915 HydrophobicContact CG-CE2 4.33Å; S913-Y915 VanDerWaalsContact O-CD2 3.27Å; S913-Y915 WeakPolarHBondContact O-CD2 3.28Å; S913-Y915 WeakPolarHBondContact O-CE2 3.45Å; Y915-T933 HydrophobicContact CD1-CG2 3.68Å; Y915-T933 HydrophobicContact CD2-CG2 4.4Å; Y915-T933 HydrophobicContact CE1-CG2 3.3Å; Y915-T933 HydrophobicContact CE2-CG2 4.1Å; Y915-T933 HydrophobicContact CG-CG2 4.22Å; Y915-P950 HydrophobicContact CE1-CG 4.05Å
916	H	98	Very high	96.2	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.032	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.8	179.4	-163.5	124.5	0	0	0	108.8	F826 I855 V856 E895 D897 L918	F826-H916 HydrophobicContact CE2-CB 4.16Å; F826-H916 AromaticContact CE2-CG 3.85Å; F826-H916 AromaticContact CE2-ND1 3.78Å; F826-H916 HydrophobicContact CZ-CB 4.35Å; I855-H916 WeakPolarHBondContact CA-O 3.37Å; V856-H916 PolarHBondContact N-O 3.42Å; V856-H916 PolarHBondContact O-N 3.31Å; E895-H916 IonicContact OE2-CE1 3.18Å; E895-H916 PolarHBondContact OE2-CE1 3.19Å; E895-H916 IonicContact OE2-NE2 3.91Å; E895-H916 PolarHBondContact OE2-NE2 2.9Å; D897-H916 HydrophobicContact CB-CB 4.23Å; H916-L918 VanDerWaalsContact CD2-CD2 3.49Å; H916-L918 WeakPolarHBondContact CD2-CD2 3.28Å; H916-L918 PolarHBondContact O-N 2.8Å
917	V	98.3	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.5	178.7	-172.6	0	0	0	0	108.3	P175 T853 F854 I855 F896 W919 D920	P175-V917 WeakPolarHBondContact CD-O 3.14Å; P175-V917 HydrophobicContact CG-CB 4.4Å; P175-V917 HydrophobicContact CG-CG1 3.98Å; T853-V917 HydrophobicContact CG2-CG1 4.11Å; F854-V917 CarbonylContact O-C 3.51Å; F854-V917 WeakPolarHBondContact O-CA 3.48Å; I855-V917 HydrophobicContact CG1-CG2 4.35Å; F896-V917 HydrophobicContact CB-CB 4.12Å; F896-V917 HydrophobicContact CB-CG2 4.49Å; F896-V917 HydrophobicContact CD1-CB 3.86Å; F896-V917 HydrophobicContact CD1-CG1 4.17Å; F896-V917 HydrophobicContact CD1-CG2 3.79Å; F896-V917 HydrophobicContact CD2-CG2 4.49Å; F896-V917 HydrophobicContact CE1-CG2 4.13Å; F896-V917 HydrophobicContact CG-CB 4.09Å; F896-V917 HydrophobicContact CG-CG2 4Å; F896-V917 PolarHBondContact O-N 2.99Å; V917-W919 WeakPolarHBondContact CG1-O 3.13Å; V917-D920 HydrophobicContact CG1-CB 4Å
918	L	97.5	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-13.4	-179.4	-63.6	-173.8	0	0	0	113.4	P174 F826 L830 F854 V856 H916	P174-L918 WeakPolarHBondContact CA-O 3.42Å; P174-L918 HydrophobicContact CB-CD2 4.45Å; P174-L918 HydrophobicContact CG-CD2 3.99Å; F826-L918 HydrophobicContact CB-CD1 3.9Å; F826-L918 HydrophobicContact CB-CD2 4.02Å; F826-L918 HydrophobicContact CD1-CD1 4.32Å; F826-L918 HydrophobicContact CD2-CD1 4.5Å; F826-L918 HydrophobicContact CD2-CD2 3.65Å; F826-L918 HydrophobicContact CE2-CD2 4.26Å; F826-L918 HydrophobicContact CG-CD1 4.02Å; F826-L918 HydrophobicContact CG-CD2 3.96Å; L830-L918 HydrophobicContact CB-CD1 4.39Å; L830-L918 HydrophobicContact CD1-CB 4.03Å; L830-L918 HydrophobicContact CD2-CB 4.26Å; L830-L918 WeakPolarHBondContact CD2-O 3.15Å; F854-L918 HydrophobicContact CD1-CB 4.06Å; F854-L918 HydrophobicContact CD1-CD1 4.3Å; F854-L918 HydrophobicContact CE1-CD1 4.2Å; F854-L918 PolarHBondContact O-N 3.06Å; V856-L918 HydrophobicContact CG2-CD1 3.45Å; V856-L918 VanDerWaalsContact CG2-CD1 3.45Å; V856-L918 HydrophobicContact CG2-CG 4.04Å; H916-L918 VanDerWaalsContact CD2-CD2 3.49Å; H916-L918 WeakPolarHBondContact CD2-CD2 3.28Å; H916-L918 PolarHBondContact O-N 2.8Å
919	W	98.2	Very high	97.2	Very high	55 Å²	55	32.4 Å²	32.4	21%	0.208	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	144.8	172.8	-166.7	-99.2	0	0	0	109.9	F172 L830 L834 T853 F854 V917 D921	F172-W919 HydrophobicContact CB-CE3 3.92Å; F172-W919 HydrophobicContact CB-CZ3 3.82Å; F172-W919 HydrophobicContact CD1-CE3 4.32Å; F172-W919 AromaticContact CD1-CH2 3.96Å; F172-W919 HydrophobicContact CD1-CH2 3.96Å; F172-W919 AromaticContact CD1-CZ3 3.84Å; F172-W919 HydrophobicContact CD1-CZ3 3.84Å; F172-W919 HydrophobicContact CG-CE3 4.43Å; F172-W919 HydrophobicContact CG-CZ3 4.24Å; L830-W919 HydrophobicContact CD1-CB 4.01Å; L834-W919 HydrophobicContact CD1-CG 4.22Å; L834-W919 HydrophobicContact CD2-CB 4.15Å; L834-W919 HydrophobicContact CD2-CD2 3.61Å; L834-W919 HydrophobicContact CD2-CE3 4.09Å; L834-W919 HydrophobicContact CD2-CG 3.6Å; T853-W919 CarbonylContact C-O 3.56Å; T853-W919 WeakPolarHBondContact CA-O 3.48Å; F854-W919 HydrophobicContact CB-CB 3.77Å; F854-W919 PolarHBondContact N-O 2.87Å; F854-W919 PolarHBondContact O-N 3.07Å; V917-W919 WeakPolarHBondContact CG1-O 3.13Å; W919-D921 PolarHBondContact NE1-OD1 2.97Å; W919-D921 PolarHBondContact NE1-OD2 3.47Å
920	D	97.9	Very high	97.3	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.134	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	95.9	172.8	-169.6	23.8	0	0	0	113.8	P175 T853 V917 N922 R923 F924	P175-D920 HydrophobicContact CG-CB 4.4Å; T853-D920 WeakPolarHBondContact CB-OD1 3.37Å; T853-D920 HydrophobicContact CG2-CB 4.1Å; T853-D920 WeakPolarHBondContact CG2-OD1 3.45Å; T853-D920 PolarHBondContact OG1-OD1 2.79Å; V917-D920 HydrophobicContact CG1-CB 4Å; D920-N922 PolarHBondContact O-N 3.42Å; D920-N922 WeakPolarHBondContact OD1-CA 3.42Å; D920-N922 WeakPolarHBondContact OD1-CB 3.4Å; D920-N922 PolarHBondContact OD1-N 2.95Å; D920-R923 PolarHBondContact OD1-N 3.14Å; D920-R923 WeakPolarHBondContact OD2-CA 3.29Å; D920-R923 PolarHBondContact OD2-N 2.63Å; D920-R923 VanDerWaalsContact OD2-N 3.08Å; D920-F924 PolarHBondContact OD2-N 3.07Å
921	D	97.5	Very high	97.4	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.7	168.9	-61.6	-46.8	0	0	0	112	R838 I852 W919	R838-D921 IonicContact CZ-OD2 3.17Å; R838-D921 IonicContact NH2-OD1 2.79Å; R838-D921 PolarHBondContact NH2-OD1 2.97Å; R838-D921 IonicContact NH2-OD2 2.67Å; R838-D921 PolarHBondContact NH2-OD2 2.8Å; I852-D921 PolarHBondContact N-OD2 2.81Å; I852-D921 PolarHBondContact O-N 2.77Å; W919-D921 PolarHBondContact NE1-OD1 2.97Å; W919-D921 PolarHBondContact NE1-OD2 3.47Å
922	N	97	Very high	97.4	Very high	34 Å²	34	27.1 Å²	27.1	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-9	-170.8	-65.3	-57.5	0	0	0	114.6	R813 G851 T853 D920 F924	R813-N922 WeakPolarHBondContact CD-OD1 3.29Å; R813-N922 WeakPolarHBondContact CG-OD1 3.14Å; R813-N922 PolarHBondContact NE-OD1 2.82Å; G851-N922 VanDerWaalsContact C-ND2 3.32Å; G851-N922 PolarHBondContact O-ND2 2.89Å; T853-N922 PolarHBondContact OG1-ND2 2.94Å; D920-N922 PolarHBondContact O-N 3.42Å; D920-N922 WeakPolarHBondContact OD1-CA 3.42Å; D920-N922 WeakPolarHBondContact OD1-CB 3.4Å; D920-N922 PolarHBondContact OD1-N 2.95Å; N922-F924 HydrophobicContact CB-CD2 3.82Å; N922-F924 HydrophobicContact CB-CE2 3.6Å; N922-F924 PolarHBondContact O-N 3.02Å
923	R	95.8	Very high	97.4	Very high	226 Å²	226	27 Å²	27	85%	0.853	13%	0.127	S	C	*	.			trans	55.5	49	175.5	-49.1	-176.4	-172.4	-160.2	1.5	113.5	D920	D920-R923 PolarHBondContact OD1-N 3.14Å; D920-R923 WeakPolarHBondContact OD2-CA 3.29Å; D920-R923 PolarHBondContact OD2-N 2.63Å; D920-R923 VanDerWaalsContact OD2-N 3.08Å
924	F	97.3	Very high	97.4	Very high	14 Å²	14	27.2 Å²	27.2	6%	0.061	13%	0.128	C	C	.	.			trans	-60.3	139.2	176.4	-81.3	-86.7	0	0	0	112.2	P178 V736 I815 T853 D920 N922 D928 I929 L932	P178-F924 WeakPolarHBondContact CG-O 3.39Å; V736-F924 HydrophobicContact CB-CE1 4.2Å; V736-F924 HydrophobicContact CB-CZ 4.14Å; V736-F924 HydrophobicContact CG2-CE1 4.33Å; V736-F924 HydrophobicContact CG2-CZ 3.76Å; I815-F924 HydrophobicContact CD1-CE2 3.62Å; I815-F924 HydrophobicContact CD1-CZ 3.77Å; T853-F924 HydrophobicContact CG2-CD2 4.07Å; T853-F924 HydrophobicContact CG2-CE2 4.25Å; T853-F924 WeakPolarHBondContact OG1-CE2 3.44Å; D920-F924 PolarHBondContact OD2-N 3.07Å; N922-F924 HydrophobicContact CB-CD2 3.82Å; N922-F924 HydrophobicContact CB-CE2 3.6Å; N922-F924 PolarHBondContact O-N 3.02Å; F924-D928 HydrophobicContact CD1-CB 3.76Å; F924-D928 HydrophobicContact CE1-CB 4.47Å; F924-I929 HydrophobicContact CB-CB 4.06Å; F924-I929 HydrophobicContact CB-CD1 4.25Å; F924-I929 HydrophobicContact CD1-CB 4.28Å; F924-I929 HydrophobicContact CD1-CD1 3.76Å; F924-I929 HydrophobicContact CD2-CD1 3.84Å; F924-I929 HydrophobicContact CE1-CD1 4.01Å; F924-I929 HydrophobicContact CE2-CD1 4.07Å; F924-I929 HydrophobicContact CG-CB 4.28Å; F924-I929 HydrophobicContact CG-CD1 3.68Å; F924-I929 HydrophobicContact CZ-CD1 4.15Å; F924-L932 HydrophobicContact CE1-CD2 3.72Å; F924-L932 HydrophobicContact CZ-CD2 3.85Å
925	S	97.1	Very high	97.4	Very high	47 Å²	47	27.8 Å²	27.8	33%	0.329	13%	0.13	S	C	.	.			trans	-70.2	162.9	162.8	79.6	0	0	0	0	110.8	D927 D928 I929	S925-D927 VanDerWaalsContact C-N 3.33Å; S925-D927 PolarHBondContact O-N 3.27Å; S925-D928 WeakPolarHBondContact CB-OD2 3.21Å; S925-D928 PolarHBondContact O-N 3.41Å; S925-D928 WeakPolarHBondContact OG-CB 3.43Å; S925-D928 VanDerWaalsContact OG-CG 3.3Å; S925-D928 PolarHBondContact OG-N 2.84Å; S925-D928 PolarHBondContact OG-OD2 2.84Å; S925-I929 PolarHBondContact O-N 2.95Å
926	A	97.2	Very high	97.3	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-58.8	-43.9	174	0	0	0	0	0	111.7	F896 Q930	F896-A926 HydrophobicContact CE2-CB 4.34Å; A926-Q930 VanDerWaalsContact O-CB 3.26Å; A926-Q930 WeakPolarHBondContact O-CB 3.48Å; A926-Q930 WeakPolarHBondContact O-CG 3.17Å; A926-Q930 PolarHBondContact O-N 3.01Å; A926-Q930 VanDerWaalsContact O-N 3.12Å; A926-Q930 PolarHBondContact O-NE2 2.97Å
927	D	96.8	Very high	97.3	Very high	20 Å²	20	27.5 Å²	27.5	11%	0.107	13%	0.129	C	C	.	.	H	α-helix	trans	-68.9	-41.6	178.3	-72.7	-49.1	0	0	0	112.6	G181 S182 E183 R561 S925 I929 Q930 N931	G181-D927 WeakPolarHBondContact CA-OD1 3.37Å; G181-D927 WeakPolarHBondContact CA-OD2 3.12Å; S182-D927 WeakPolarHBondContact CB-OD2 3.34Å; S182-D927 PolarHBondContact N-OD1 3.47Å; S182-D927 PolarHBondContact N-OD2 2.9Å; S182-D927 PolarHBondContact OG-OD2 2.92Å; E183-D927 HydrophobicContact CG-CB 4.26Å; E183-D927 PolarHBondContact N-OD1 2.71Å; R561-D927 IonicContact NH1-OD1 3.92Å; R561-D927 PolarHBondContact NH1-OD1 3.48Å; S925-D927 VanDerWaalsContact C-N 3.33Å; S925-D927 PolarHBondContact O-N 3.27Å; D927-I929 PolarHBondContact O-N 3Å; D927-Q930 PolarHBondContact O-N 3.29Å; D927-N931 WeakPolarHBondContact O-CB 3.04Å; D927-N931 PolarHBondContact O-N 2.96Å; D927-N931 PolarHBondContact O-ND2 3.18Å
928	D	95.7	Very high	97.3	Very high	58 Å²	58	27.7 Å²	27.7	31%	0.31	13%	0.13	S	C	.	.	H	α-helix	trans	-59.3	-47.5	179.2	-76.9	-72.1	0	0	0	111.4	F924 S925 L932	F924-D928 HydrophobicContact CD1-CB 3.76Å; F924-D928 HydrophobicContact CE1-CB 4.47Å; S925-D928 WeakPolarHBondContact CB-OD2 3.21Å; S925-D928 PolarHBondContact O-N 3.41Å; S925-D928 WeakPolarHBondContact OG-CB 3.43Å; S925-D928 VanDerWaalsContact OG-CG 3.3Å; S925-D928 PolarHBondContact OG-N 2.84Å; S925-D928 PolarHBondContact OG-OD2 2.84Å; D928-L932 WeakPolarHBondContact O-CB 3.39Å; D928-L932 PolarHBondContact O-N 2.82Å
929	I	97.2	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-74.4	-34.3	-177.2	-154.9	74.4	0	0	0	112.4	T853 I855 F896 F898 F924 S925 D927 L932 T933	T853-I929 HydrophobicContact CG2-CD1 4.39Å; I855-I929 HydrophobicContact CD1-CD1 3.66Å; I855-I929 HydrophobicContact CD1-CG1 3.88Å; F896-I929 HydrophobicContact CE1-CG2 4.27Å; F896-I929 HydrophobicContact CE2-CG2 4.01Å; F896-I929 HydrophobicContact CZ-CG2 3.49Å; F896-I929 VanDerWaalsContact CZ-CG2 3.49Å; F898-I929 HydrophobicContact CE1-CG2 3.72Å; F898-I929 HydrophobicContact CZ-CG2 4.17Å; F924-I929 HydrophobicContact CB-CB 4.06Å; F924-I929 HydrophobicContact CB-CD1 4.25Å; F924-I929 HydrophobicContact CD1-CB 4.28Å; F924-I929 HydrophobicContact CD1-CD1 3.76Å; F924-I929 HydrophobicContact CD2-CD1 3.84Å; F924-I929 HydrophobicContact CE1-CD1 4.01Å; F924-I929 HydrophobicContact CE2-CD1 4.07Å; F924-I929 HydrophobicContact CG-CB 4.28Å; F924-I929 HydrophobicContact CG-CD1 3.68Å; F924-I929 HydrophobicContact CZ-CD1 4.15Å; S925-I929 PolarHBondContact O-N 2.95Å; D927-I929 PolarHBondContact O-N 3Å; I929-L932 HydrophobicContact CD1-CD2 4.13Å; I929-T933 VanDerWaalsContact O-CB 3.22Å; I929-T933 WeakPolarHBondContact O-CB 3.32Å; I929-T933 PolarHBondContact O-N 3.3Å; I929-T933 PolarHBondContact O-OG1 3.4Å
930	Q	98.1	Very high	97.2	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-67.1	-45.6	175.7	-70.6	165.4	20.6	0	0	110.5	I563 T885 D887 F898 A926 D927 Y934	I563-Q930 HydrophobicContact CD1-CB 3.64Å; T885-Q930 HydrophobicContact CG2-CB 4.46Å; T885-Q930 HydrophobicContact CG2-CG 4.07Å; D887-Q930 PolarHBondContact OD2-NE2 3.46Å; F898-Q930 HydrophobicContact CD1-CG 4.19Å; F898-Q930 HydrophobicContact CD2-CG 3.76Å; F898-Q930 HydrophobicContact CE1-CG 4.26Å; F898-Q930 HydrophobicContact CE2-CB 4.46Å; F898-Q930 HydrophobicContact CE2-CG 3.83Å; F898-Q930 HydrophobicContact CG-CG 3.95Å; F898-Q930 HydrophobicContact CZ-CG 4.08Å; A926-Q930 VanDerWaalsContact O-CB 3.26Å; A926-Q930 WeakPolarHBondContact O-CB 3.48Å; A926-Q930 WeakPolarHBondContact O-CG 3.17Å; A926-Q930 PolarHBondContact O-N 3.01Å; A926-Q930 VanDerWaalsContact O-N 3.12Å; A926-Q930 PolarHBondContact O-NE2 2.97Å; D927-Q930 PolarHBondContact O-N 3.29Å; Q930-Y934 WeakPolarHBondContact O-CB 3.26Å; Q930-Y934 PolarHBondContact O-N 2.84Å
931	N	96.4	Very high	97.2	Very high	15 Å²	15	25.2 Å²	25.2	8%	0.08	12%	0.121	C	C	.	.	H	α-helix	trans	-59.3	-53.6	172	-88.2	-61.2	0	0	0	111.6	E183 I563 D927 T933 Y934 Q935	E183-N931 PolarHBondContact OE2-ND2 3.42Å; I563-N931 WeakPolarHBondContact CG2-OD1 3.35Å; D927-N931 WeakPolarHBondContact O-CB 3.04Å; D927-N931 PolarHBondContact O-N 2.96Å; D927-N931 PolarHBondContact O-ND2 3.18Å; N931-T933 VanDerWaalsContact C-N 3.29Å; N931-T933 PolarHBondContact O-N 2.89Å; N931-Y934 CarbonylContact O-C 3.57Å; N931-Y934 PolarHBondContact O-N 2.95Å; N931-Q935 WeakPolarHBondContact O-CG 3.31Å; N931-Q935 PolarHBondContact O-N 2.74Å
932	L	97.1	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-55	-45.7	-179.3	-178.3	60.9	0	0	0	111.7	P734 V736 F737 F743 F924 D928 I929 Q935 L936	P734-L932 HydrophobicContact CG-CB 4.33Å; P734-L932 HydrophobicContact CG-CD1 4.44Å; V736-L932 HydrophobicContact CG1-CD1 4.07Å; V736-L932 HydrophobicContact CG1-CD2 4.21Å; F737-L932 HydrophobicContact CE2-CD1 3.61Å; F737-L932 HydrophobicContact CZ-CD1 4.06Å; F743-L932 HydrophobicContact CE1-CD1 3.85Å; F743-L932 HydrophobicContact CE1-CD2 4.14Å; F743-L932 HydrophobicContact CE1-CG 4.28Å; F743-L932 HydrophobicContact CZ-CD1 4.09Å; F924-L932 HydrophobicContact CE1-CD2 3.72Å; F924-L932 HydrophobicContact CZ-CD2 3.85Å; D928-L932 WeakPolarHBondContact O-CB 3.39Å; D928-L932 PolarHBondContact O-N 2.82Å; I929-L932 HydrophobicContact CD1-CD2 4.13Å; L932-Q935 PolarHBondContact O-N 3.37Å; L932-L936 HydrophobicContact CD1-CD1 4.36Å; L932-L936 HydrophobicContact CG-CD1 4.25Å; L932-L936 VanDerWaalsContact O-CG 3.32Å; L932-L936 WeakPolarHBondContact O-CG 3.48Å; L932-L936 PolarHBondContact O-N 3.16Å
933	T	98.3	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-44.6	176.5	-57.9	0	0	0	0	111.3	Y817 F898 L900 Y915 I929 N931 L936 C937 P950	Y817-T933 HydrophobicContact CE1-CG2 4.14Å; Y817-T933 PolarHBondContact OH-OG1 3.27Å; F898-T933 HydrophobicContact CE2-CG2 4.48Å; L900-T933 HydrophobicContact CD2-CG2 3.84Å; Y915-T933 HydrophobicContact CD1-CG2 3.68Å; Y915-T933 HydrophobicContact CD2-CG2 4.4Å; Y915-T933 HydrophobicContact CE1-CG2 3.3Å; Y915-T933 HydrophobicContact CE2-CG2 4.1Å; Y915-T933 HydrophobicContact CG-CG2 4.22Å; I929-T933 VanDerWaalsContact O-CB 3.22Å; I929-T933 WeakPolarHBondContact O-CB 3.32Å; I929-T933 PolarHBondContact O-N 3.3Å; I929-T933 PolarHBondContact O-OG1 3.4Å; N931-T933 VanDerWaalsContact C-N 3.29Å; N931-T933 PolarHBondContact O-N 2.89Å; T933-L936 PolarHBondContact O-N 2.6Å; T933-C937 PolarHBondContact O-N 2.81Å; T933-C937 PolarHBondContact O-SG 2.86Å; T933-C937 VanDerWaalsContact O-SG 3.35Å; T933-P950 HydrophobicContact CG2-CG 3.86Å
934	Y	97.8	Very high	96.9	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-69.5	-34.9	178.5	-171.2	-142.2	0	0	0	112.9	I563 P564 A565 A882 G883 L900 S902 Q930 N931 C937 H938	I563-Y934 HydrophobicContact CB-CD1 4.2Å; I563-Y934 HydrophobicContact CG2-CD1 3.91Å; I563-Y934 VanDerWaalsContact O-CE1 3.29Å; I563-Y934 WeakPolarHBondContact O-CE1 3.24Å; P564-Y934 WeakPolarHBondContact O-CD1 3.44Å; P564-Y934 WeakPolarHBondContact O-CE1 3.45Å; A565-Y934 HydrophobicContact CB-CE1 4.23Å; A882-Y934 VanDerWaalsContact C-OH 3.25Å; A882-Y934 PolarHBondContact O-OH 2.87Å; G883-Y934 WeakPolarHBondContact CA-OH 3.5Å; G883-Y934 PolarHBondContact N-OH 3.47Å; L900-Y934 HydrophobicContact CD1-CD2 4.07Å; L900-Y934 HydrophobicContact CD1-CG 4.25Å; L900-Y934 HydrophobicContact CD2-CD2 4.45Å; L900-Y934 HydrophobicContact CD2-CG 4.48Å; S902-Y934 WeakPolarHBondContact O-CE2 3.43Å; Q930-Y934 WeakPolarHBondContact O-CB 3.26Å; Q930-Y934 PolarHBondContact O-N 2.84Å; N931-Y934 CarbonylContact O-C 3.57Å; N931-Y934 PolarHBondContact O-N 2.95Å; Y934-C937 WeakPolarHBondContact O-CB 3.4Å; Y934-C937 PolarHBondContact O-N 3.31Å; Y934-H938 AromaticContact CD2-CE1 3.92Å; Y934-H938 AromaticContact CE2-CE1 3.51Å; Y934-H938 AromaticContact CZ-CE1 3.66Å; Y934-H938 PolarHBondContact O-ND1 2.86Å
935	Q	96.9	Very high	96.8	Very high	14 Å²	14	18.8 Å²	18.8	7%	0.065	10%	0.095	C	C	.	.	H	α-helix	trans	-65.9	-42.9	173.9	-67.6	-166.1	12.3	0	0	111.5	P566 I728 V732 N931 L932 C937 H938	P566-Q935 HydrophobicContact CB-CG 3.98Å; P566-Q935 HydrophobicContact CG-CB 4.36Å; P566-Q935 HydrophobicContact CG-CG 4.03Å; I728-Q935 HydrophobicContact CD1-CB 3.88Å; V732-Q935 PolarHBondContact O-NE2 3.03Å; N931-Q935 WeakPolarHBondContact O-CG 3.31Å; N931-Q935 PolarHBondContact O-N 2.74Å; L932-Q935 PolarHBondContact O-N 3.37Å; Q935-C937 PolarHBondContact O-N 3.33Å; Q935-H938 WeakPolarHBondContact O-CB 3.37Å; Q935-H938 PolarHBondContact O-N 3.21Å
936	L	97.9	Very high	96.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-65	-24.5	175.6	-69.6	169.2	0	0	0	113.3	F743 P772 Y817 L932 T933 H938 T939 P950 A951	F743-L936 HydrophobicContact CD1-CD1 3.67Å; F743-L936 HydrophobicContact CD1-CD2 4.22Å; F743-L936 HydrophobicContact CE1-CD1 3.96Å; F743-L936 HydrophobicContact CG-CD2 4.38Å; P772-L936 HydrophobicContact CB-CD2 4.45Å; P772-L936 HydrophobicContact CG-CD2 3.97Å; Y817-L936 HydrophobicContact CD2-CD1 4.39Å; Y817-L936 HydrophobicContact CE2-CD1 3.45Å; Y817-L936 VanDerWaalsContact CE2-CD1 3.45Å; L932-L936 HydrophobicContact CD1-CD1 4.36Å; L932-L936 HydrophobicContact CG-CD1 4.25Å; L932-L936 VanDerWaalsContact O-CG 3.32Å; L932-L936 WeakPolarHBondContact O-CG 3.48Å; L932-L936 PolarHBondContact O-N 3.16Å; T933-L936 PolarHBondContact O-N 2.6Å; L936-H938 PolarHBondContact O-N 3.21Å; L936-T939 PolarHBondContact O-N 3.22Å; L936-T939 PolarHBondContact O-OG1 2.94Å; L936-P950 HydrophobicContact CB-CB 3.91Å; L936-A951 WeakPolarHBondContact O-CB 3.34Å; L936-A951 PolarHBondContact O-N 3.25Å
937	C	98.1	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.4	168.9	-70.8	0	0	0	0	113.9	S902 T933 Y934 Q935 S946 V947	S902-C937 VanDerWaalsContact CB-SG 3.53Å; S902-C937 PolarHBondContact OG-SG 3.2Å; T933-C937 PolarHBondContact O-N 2.81Å; T933-C937 PolarHBondContact O-SG 2.86Å; T933-C937 VanDerWaalsContact O-SG 3.35Å; Y934-C937 WeakPolarHBondContact O-CB 3.4Å; Y934-C937 PolarHBondContact O-N 3.31Å; Q935-C937 PolarHBondContact O-N 3.33Å; C937-S946 WeakPolarHBondContact O-CA 3.43Å; C937-V947 WeakPolarHBondContact CB-O 3.43Å; C937-V947 VanDerWaalsContact O-CG2 3.22Å; C937-V947 WeakPolarHBondContact O-CG2 3.48Å; C937-V947 PolarHBondContact O-N 2.78Å; C937-V947 PolarHBondContact SG-O 2.86Å
938	H	97.4	Very high	96.9	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.014	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-13.2	176.3	-66.9	73.7	0	0	0	113.8	P566 I568 W585 Y934 Q935 L936 Y940 S946	P566-H938 HydrophobicContact CG-CB 4.02Å; I568-H938 HydrophobicContact CD1-CB 3.88Å; W585-H938 HydrophobicContact CH2-CB 4.11Å; W585-H938 AromaticContact CH2-CD2 3.94Å; W585-H938 AromaticContact CZ3-CD2 3.49Å; W585-H938 VanDerWaalsContact CZ3-CD2 3.49Å; W585-H938 WeakPolarHBondContact CZ3-CD2 3.17Å; Y934-H938 AromaticContact CD2-CE1 3.92Å; Y934-H938 AromaticContact CE2-CE1 3.51Å; Y934-H938 AromaticContact CZ-CE1 3.66Å; Y934-H938 PolarHBondContact O-ND1 2.86Å; Q935-H938 WeakPolarHBondContact O-CB 3.37Å; Q935-H938 PolarHBondContact O-N 3.21Å; L936-H938 PolarHBondContact O-N 3.21Å; H938-Y940 PolarHBondContact O-N 2.89Å; H938-S946 PolarHBondContact CE1-OG 2.61Å
939	T	96.9	Very high	97	Very high	11 Å²	11	14.1 Å²	14.1	7%	0.067	7%	0.067	C	C	.	.			trans	-81.8	6.4	-179.7	62.7	0	0	0	0	114.3	I728 L936 V941 A951 Y955	I728-T939 HydrophobicContact CD1-CG2 3.57Å; I728-T939 HydrophobicContact CG1-CG2 4.03Å; L936-T939 PolarHBondContact O-N 3.22Å; L936-T939 PolarHBondContact O-OG1 2.94Å; T939-V941 PolarHBondContact O-N 3.33Å; T939-V941 VanDerWaalsContact O-N 3.11Å; T939-A951 WeakPolarHBondContact OG1-CB 3.48Å; T939-Y955 PolarHBondContact O-OH 3.4Å
940	Y	97.6	Very high	97	Very high	10 Å²	10	14.1 Å²	14.1	4%	0.039	7%	0.067	C	C	.	.			trans	-78.3	97.5	-176.8	-178	-107.4	0	0	0	112.3	H938 R942 C943 V947 Y954 Y955 L958	H938-Y940 PolarHBondContact O-N 2.89Å; Y940-R942 HydrophobicContact CD1-CB 4.22Å; Y940-R942 HydrophobicContact CE1-CB 3.71Å; Y940-R942 HydrophobicContact CE1-CG 4.49Å; Y940-R942 PolarHBondContact O-N 3.48Å; Y940-R942 WeakPolarHBondContact OH-CD 3.26Å; Y940-C943 PolarHBondContact O-N 2.94Å; Y940-V947 VanDerWaalsContact CB-CG2 3.46Å; Y940-V947 HydrophobicContact CD1-CB 4.39Å; Y940-V947 HydrophobicContact CD1-CG1 3.38Å; Y940-V947 HydrophobicContact CD1-CG2 4.17Å; Y940-V947 HydrophobicContact CE1-CG1 3.82Å; Y940-V947 HydrophobicContact CG-CG1 3.95Å; Y940-V947 HydrophobicContact CG-CG2 3.84Å; Y940-Y954 HydrophobicContact CD2-CD2 4.32Å; Y940-Y954 HydrophobicContact CD2-CG 4.06Å; Y940-Y954 AromaticContact CE2-CD1 3.7Å; Y940-Y954 HydrophobicContact CE2-CD1 3.7Å; Y940-Y954 HydrophobicContact CE2-CD2 4.1Å; Y940-Y954 HydrophobicContact CE2-CE1 4.3Å; Y940-Y954 AromaticContact CE2-CG 3.59Å; Y940-Y954 HydrophobicContact CE2-CG 3.59Å; Y940-Y954 AromaticContact CZ-CD1 3.85Å; Y940-Y954 AromaticContact CZ-CE1 3.97Å; Y940-Y954 WeakPolarHBondContact OH-CE1 3.33Å; Y940-Y955 WeakPolarHBondContact CA-OH 3.27Å; Y940-Y955 HydrophobicContact CD2-CD1 4.07Å; Y940-Y955 AromaticContact CD2-CE1 3.48Å; Y940-Y955 HydrophobicContact CD2-CE1 3.48Å; Y940-Y955 VanDerWaalsContact CD2-CE1 3.48Å; Y940-Y955 HydrophobicContact CE2-CD1 4.04Å; Y940-Y955 AromaticContact CE2-CE1 3.76Å; Y940-Y955 HydrophobicContact CE2-CE1 3.76Å; Y940-L958 HydrophobicContact CE2-CD1 4.2Å
941	V	96.7	Very high	97	Very high	8 Å²	8	14.1 Å²	14.1	5%	0.048	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.6	-164.7	-61.2	0	0	0	0	116.8	V719 N725 T939 Y955 M1006	V719-V941 HydrophobicContact CB-CG2 4.31Å; V719-V941 HydrophobicContact CG1-CG2 3.89Å; V719-V941 HydrophobicContact CG2-CB 3.77Å; V719-V941 HydrophobicContact CG2-CG1 4.17Å; V719-V941 HydrophobicContact CG2-CG2 3.67Å; N725-V941 PolarHBondContact ND2-O 3.18Å; T939-V941 PolarHBondContact O-N 3.33Å; T939-V941 VanDerWaalsContact O-N 3.11Å; V941-Y955 HydrophobicContact CG2-CE1 4.29Å; V941-Y955 WeakPolarHBondContact CG2-OH 3.34Å; V941-Y955 PolarHBondContact N-OH 3.35Å; V941-M1006 HydrophobicContact CG2-CE 4.03Å
942	R	94.7	Very high	97.1	Very high	73 Å²	73	13.4 Å²	13.4	28%	0.275	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.8	-175.4	-70.6	177.3	53.3	158.3	-15.7	115	K716 Y940 A1009	K716-R942 HydrophobicContact CG-CG 4.26Å; Y940-R942 HydrophobicContact CD1-CB 4.22Å; Y940-R942 HydrophobicContact CE1-CB 3.71Å; Y940-R942 HydrophobicContact CE1-CG 4.49Å; Y940-R942 PolarHBondContact O-N 3.48Å; Y940-R942 WeakPolarHBondContact OH-CD 3.26Å; R942-A1009 WeakPolarHBondContact CD-OXT 2.77Å; R942-A1009 PolarHBondContact NE-OXT 3.09Å; R942-A1009 PolarHBondContact NH1-OXT 3.47Å
943	C	94.7	Very high	97.1	Very high	31 Å²	31	13.4 Å²	13.4	21%	0.209	6%	0.063	C	C	.	.	S	Bend	trans	-160.5	152.6	175.1	55.9	0	0	0	0	111.7	Y940 R945	Y940-C943 PolarHBondContact O-N 2.94Å; C943-R945 PolarHBondContact O-N 2.91Å
944	T	95.2	Very high	97.1	Very high	14 Å²	14	14.7 Å²	14.7	9%	0.086	7%	0.068	C	C	.	.	S	Bend	trans	-79.9	53.9	173.9	54.9	0	0	0	0	112.4	Y570 W585 M587	Y570-T944 WeakPolarHBondContact OH-CG2 3.34Å; W585-T944 PolarHBondContact N-O 3.01Å; W585-T944 WeakPolarHBondContact O-CB 3.47Å; W585-T944 PolarHBondContact O-OG1 2.87Å; M587-T944 HydrophobicContact CG-CG2 3.92Å
945	R	96.2	Very high	97.1	Very high	81 Å²	81	14.6 Å²	14.6	31%	0.306	7%	0.068	S	C	.	.	B	Isolated β-bridge	trans	-144.6	144.2	-177	-56.1	-177.3	72.7	94.4	0	110.1	G583 V584 C943 V947	G583-R945 WeakPolarHBondContact O-CA 3.47Å; V584-R945 HydrophobicContact CG1-CG 4.38Å; V584-R945 VanDerWaalsContact CG2-CZ 3.42Å; C943-R945 PolarHBondContact O-N 2.91Å; R945-V947 PolarHBondContact O-N 3.35Å
946	S	97.5	Very high	97.2	Very high	5 Å²	5	13.9 Å²	13.9	4%	0.035	7%	0.065	C	C	.	.			trans	-69.3	126.1	167.9	-174.7	0	0	0	0	109.5	G583 S902 H903 C937 H938	G583-S946 PolarHBondContact O-N 2.69Å; S902-S946 WeakPolarHBondContact O-CB 3.4Å; S902-S946 PolarHBondContact O-OG 2.91Å; H903-S946 WeakPolarHBondContact CB-O 3.32Å; C937-S946 WeakPolarHBondContact O-CA 3.43Å; H938-S946 PolarHBondContact CE1-OG 2.61Å
947	V	97.2	Very high	97	Very high	13 Å²	13	15.6 Å²	15.6	8%	0.079	7%	0.072	C	C	.	.			trans	-93.2	161.3	-179	-77.6	0	0	0	0	112.2	S902 C937 Y940 R945 I949 Y954	S902-V947 WeakPolarHBondContact CB-O 3.45Å; S902-V947 PolarHBondContact OG-O 3.25Å; C937-V947 WeakPolarHBondContact CB-O 3.43Å; C937-V947 VanDerWaalsContact O-CG2 3.22Å; C937-V947 WeakPolarHBondContact O-CG2 3.48Å; C937-V947 PolarHBondContact O-N 2.78Å; C937-V947 PolarHBondContact SG-O 2.86Å; Y940-V947 VanDerWaalsContact CB-CG2 3.46Å; Y940-V947 HydrophobicContact CD1-CB 4.39Å; Y940-V947 HydrophobicContact CD1-CG1 3.38Å; Y940-V947 HydrophobicContact CD1-CG2 4.17Å; Y940-V947 HydrophobicContact CE1-CG1 3.82Å; Y940-V947 HydrophobicContact CG-CG1 3.95Å; Y940-V947 HydrophobicContact CG-CG2 3.84Å; R945-V947 PolarHBondContact O-N 3.35Å; V947-I949 VanDerWaalsContact CG2-O 3.28Å; V947-I949 WeakPolarHBondContact CG2-O 3.32Å; V947-I949 PolarHBondContact O-N 2.86Å; V947-Y954 HydrophobicContact CB-CD2 3.91Å; V947-Y954 HydrophobicContact CB-CE2 3.84Å; V947-Y954 HydrophobicContact CG1-CD2 4.24Å; V947-Y954 HydrophobicContact CG1-CE2 3.89Å; V947-Y954 HydrophobicContact CG2-CD2 4Å; V947-Y954 HydrophobicContact CG2-CE2 4.43Å
948	S	96.9	Very high	97	Very high	8 Å²	8	16.8 Å²	16.8	6%	0.056	8%	0.079	C	C	.	.	S	Bend	trans	-66.5	-15	-172.4	60.6	0	0	0	0	116	K859 S902 H903 S913	K859-S948 WeakPolarHBondContact CE-OG 3.32Å; K859-S948 PolarHBondContact NZ-OG 3.48Å; S902-S948 VanDerWaalsContact OG-C 3.26Å; S902-S948 VanDerWaalsContact OG-CA 3.32Å; S902-S948 WeakPolarHBondContact OG-CA 3.42Å; S902-S948 PolarHBondContact OG-O 2.93Å; H903-S948 WeakPolarHBondContact ND1-CA 3.38Å; H903-S948 WeakPolarHBondContact ND1-CB 3.33Å; S913-S948 WeakPolarHBondContact CB-O 3.48Å; S913-S948 PolarHBondContact OG-O 2.82Å
949	I	97.9	Very high	96.9	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.026	8%	0.078	C	C	.	.	S	Bend	trans	-144.7	156.7	-178.1	56.6	175	0	0	0	108	V857 K859 V947 A953 Y954	V857-I949 HydrophobicContact CG1-CB 4.21Å; V857-I949 HydrophobicContact CG1-CG2 3.62Å; K859-I949 HydrophobicContact CB-CG2 4.3Å; K859-I949 HydrophobicContact CD-CG2 4.22Å; V947-I949 VanDerWaalsContact CG2-O 3.28Å; V947-I949 WeakPolarHBondContact CG2-O 3.32Å; V947-I949 PolarHBondContact O-N 2.86Å; I949-A953 HydrophobicContact CD1-CB 4.18Å; I949-Y954 HydrophobicContact CD1-CD2 4.1Å; I949-Y954 HydrophobicContact CD1-CG 4.15Å; I949-Y954 HydrophobicContact CG1-CD2 3.63Å; I949-Y954 HydrophobicContact CG1-CE2 4.35Å; I949-Y954 HydrophobicContact CG1-CG 4.11Å
950	P	98.3	Very high	96.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.			trans	-53.1	143.4	178	-30.4	38.6	0	0	0	112.2	Y817 Y915 T933 L936 P952 A953 Y954	Y817-P950 HydrophobicContact CD1-CB 4.47Å; Y817-P950 HydrophobicContact CD1-CG 3.87Å; Y817-P950 HydrophobicContact CE1-CG 3.81Å; Y817-P950 HydrophobicContact CG-CB 4.43Å; Y817-P950 HydrophobicContact CG-CG 4.31Å; Y915-P950 HydrophobicContact CE1-CG 4.05Å; T933-P950 HydrophobicContact CG2-CG 3.86Å; L936-P950 HydrophobicContact CB-CB 3.91Å; P950-P952 VanDerWaalsContact C-CD 3.48Å; P950-P952 VanDerWaalsContact C-N 3.32Å; P950-P952 HydrophobicContact CB-CG 3.97Å; P950-A953 PolarHBondContact O-N 3.04Å; P950-A953 VanDerWaalsContact O-N 3.15Å; P950-Y954 PolarHBondContact O-N 3.31Å; P950-Y954 VanDerWaalsContact O-N 3.11Å
951	A	98.2	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-47	-45	175.2	0	0	0	0	0	114.3	L936 T939 A953 Y954 Y955	L936-A951 WeakPolarHBondContact O-CB 3.34Å; L936-A951 PolarHBondContact O-N 3.25Å; T939-A951 WeakPolarHBondContact OG1-CB 3.48Å; A951-A953 PolarHBondContact O-N 3.41Å; A951-Y954 PolarHBondContact O-N 2.89Å; A951-Y955 HydrophobicContact CB-CD2 4.29Å; A951-Y955 HydrophobicContact CB-CE2 3.66Å; A951-Y955 WeakPolarHBondContact O-CB 3.31Å; A951-Y955 WeakPolarHBondContact O-CD2 3.47Å; A951-Y955 PolarHBondContact O-N 2.87Å
952	P	98.3	Very high	96.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-53.7	-51.4	175.6	11.3	-25.5	0	0	0	113.8	V765 Y775 Y817 P950 Y954 Y955 A956	V765-P952 HydrophobicContact CG2-CB 4.29Å; V765-P952 WeakPolarHBondContact CG2-O 3.45Å; Y775-P952 HydrophobicContact CE1-CB 3.83Å; Y775-P952 HydrophobicContact CE1-CG 4.38Å; Y817-P952 HydrophobicContact CD2-CG 4.14Å; P950-P952 VanDerWaalsContact C-CD 3.48Å; P950-P952 VanDerWaalsContact C-N 3.32Å; P950-P952 HydrophobicContact CB-CG 3.97Å; P952-Y954 VanDerWaalsContact C-N 3.32Å; P952-Y954 PolarHBondContact O-N 2.8Å; P952-Y955 PolarHBondContact O-N 3.07Å; P952-A956 PolarHBondContact O-N 3.12Å
953	A	97.5	Very high	96.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-41.1	178.6	0	0	0	0	0	111.7	D819 I949 P950 A951 Y955 A956 H957	D819-A953 HydrophobicContact CB-CB 4.42Å; I949-A953 HydrophobicContact CD1-CB 4.18Å; P950-A953 PolarHBondContact O-N 3.04Å; P950-A953 VanDerWaalsContact O-N 3.15Å; A951-A953 PolarHBondContact O-N 3.41Å; A953-Y955 PolarHBondContact O-N 3.21Å; A953-A956 PolarHBondContact O-N 2.88Å; A953-H957 PolarHBondContact O-N 3.1Å
954	Y	97.3	Very high	96.4	Very high	28 Å²	28	16.2 Å²	16.2	11%	0.11	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-40.1	175.9	-139.4	-46.9	0	0	0	112	S116 Y940 V947 I949 P950 A951 P952 L958	S116-Y954 PolarHBondContact OG-OH 2.91Å; Y940-Y954 HydrophobicContact CD2-CD2 4.32Å; Y940-Y954 HydrophobicContact CD2-CG 4.06Å; Y940-Y954 AromaticContact CE2-CD1 3.7Å; Y940-Y954 HydrophobicContact CE2-CD1 3.7Å; Y940-Y954 HydrophobicContact CE2-CD2 4.1Å; Y940-Y954 HydrophobicContact CE2-CE1 4.3Å; Y940-Y954 AromaticContact CE2-CG 3.59Å; Y940-Y954 HydrophobicContact CE2-CG 3.59Å; Y940-Y954 AromaticContact CZ-CD1 3.85Å; Y940-Y954 AromaticContact CZ-CE1 3.97Å; Y940-Y954 WeakPolarHBondContact OH-CE1 3.33Å; V947-Y954 HydrophobicContact CB-CD2 3.91Å; V947-Y954 HydrophobicContact CB-CE2 3.84Å; V947-Y954 HydrophobicContact CG1-CD2 4.24Å; V947-Y954 HydrophobicContact CG1-CE2 3.89Å; V947-Y954 HydrophobicContact CG2-CD2 4Å; V947-Y954 HydrophobicContact CG2-CE2 4.43Å; I949-Y954 HydrophobicContact CD1-CD2 4.1Å; I949-Y954 HydrophobicContact CD1-CG 4.15Å; I949-Y954 HydrophobicContact CG1-CD2 3.63Å; I949-Y954 HydrophobicContact CG1-CE2 4.35Å; I949-Y954 HydrophobicContact CG1-CG 4.11Å; P950-Y954 PolarHBondContact O-N 3.31Å; P950-Y954 VanDerWaalsContact O-N 3.11Å; A951-Y954 PolarHBondContact O-N 2.89Å; P952-Y954 VanDerWaalsContact C-N 3.32Å; P952-Y954 PolarHBondContact O-N 2.8Å; Y954-L958 HydrophobicContact CD1-CG 4.5Å; Y954-L958 WeakPolarHBondContact O-CG 3.46Å; Y954-L958 PolarHBondContact O-N 3.07Å
955	Y	98.3	Very high	96.2	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-68.3	-39.2	177.7	-63.4	-34.1	0	0	0	112.3	Y775 T939 Y940 V941 A951 P952 A953 H957 L958 V959 M1006 F1008	Y775-Y955 HydrophobicContact CD1-CD2 4.05Å; Y775-Y955 AromaticContact CD2-CD2 3.65Å; Y775-Y955 HydrophobicContact CD2-CD2 3.65Å; Y775-Y955 AromaticContact CD2-CE2 3.37Å; Y775-Y955 HydrophobicContact CD2-CE2 3.37Å; Y775-Y955 HydrophobicContact CE1-CD2 4.42Å; Y775-Y955 HydrophobicContact CE2-CD2 4.05Å; Y775-Y955 AromaticContact CE2-CE2 3.6Å; Y775-Y955 HydrophobicContact CE2-CE2 3.6Å; Y775-Y955 AromaticContact CG-CD2 3.67Å; Y775-Y955 HydrophobicContact CG-CD2 3.67Å; Y775-Y955 AromaticContact CG-CE2 3.92Å; Y775-Y955 HydrophobicContact CG-CE2 3.92Å; T939-Y955 PolarHBondContact O-OH 3.4Å; Y940-Y955 WeakPolarHBondContact CA-OH 3.27Å; Y940-Y955 HydrophobicContact CD2-CD1 4.07Å; Y940-Y955 AromaticContact CD2-CE1 3.48Å; Y940-Y955 HydrophobicContact CD2-CE1 3.48Å; Y940-Y955 VanDerWaalsContact CD2-CE1 3.48Å; Y940-Y955 HydrophobicContact CE2-CD1 4.04Å; Y940-Y955 AromaticContact CE2-CE1 3.76Å; Y940-Y955 HydrophobicContact CE2-CE1 3.76Å; V941-Y955 HydrophobicContact CG2-CE1 4.29Å; V941-Y955 WeakPolarHBondContact CG2-OH 3.34Å; V941-Y955 PolarHBondContact N-OH 3.35Å; A951-Y955 HydrophobicContact CB-CD2 4.29Å; A951-Y955 HydrophobicContact CB-CE2 3.66Å; A951-Y955 WeakPolarHBondContact O-CB 3.31Å; A951-Y955 WeakPolarHBondContact O-CD2 3.47Å; A951-Y955 PolarHBondContact O-N 2.87Å; P952-Y955 PolarHBondContact O-N 3.07Å; A953-Y955 PolarHBondContact O-N 3.21Å; Y955-H957 PolarHBondContact O-N 3.35Å; Y955-L958 HydrophobicContact CD1-CD1 4.37Å; Y955-L958 WeakPolarHBondContact O-CB 3.24Å; Y955-L958 PolarHBondContact O-N 3.41Å; Y955-L958 VanDerWaalsContact O-N 3.09Å; Y955-V959 WeakPolarHBondContact O-CG2 3.39Å; Y955-V959 PolarHBondContact O-N 3.27Å; Y955-M1006 HydrophobicContact CD1-CE 4.27Å; Y955-M1006 HydrophobicContact CD2-CE 4.12Å; Y955-M1006 HydrophobicContact CE1-CE 3.84Å; Y955-M1006 HydrophobicContact CE2-CE 3.69Å; Y955-M1006 HydrophobicContact CG-CE 4.41Å; Y955-F1008 HydrophobicContact CD1-CD2 4.34Å; Y955-F1008 AromaticContact CD1-CE2 3.79Å; Y955-F1008 HydrophobicContact CD1-CE2 3.79Å; Y955-F1008 HydrophobicContact CD2-CE2 4.47Å; Y955-F1008 AromaticContact CG-CE2 3.74Å; Y955-F1008 HydrophobicContact CG-CE2 3.74Å
956	A	97.8	Very high	95.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-57.3	-49	173.6	0	0	0	0	0	111.7	G745 D747 A763 V765 P952 A953 L958 V959 A960	G745-A956 WeakPolarHBondContact O-CB 3.29Å; D747-A956 HydrophobicContact CB-CB 3.9Å; A763-A956 WeakPolarHBondContact CB-O 3.43Å; V765-A956 HydrophobicContact CG2-CB 4.39Å; P952-A956 PolarHBondContact O-N 3.12Å; A953-A956 PolarHBondContact O-N 2.88Å; A956-L958 VanDerWaalsContact C-N 3.3Å; A956-L958 PolarHBondContact O-N 3Å; A956-V959 WeakPolarHBondContact O-CB 3.42Å; A956-V959 PolarHBondContact O-N 3.28Å; A956-V959 VanDerWaalsContact O-N 3.08Å; A956-A960 PolarHBondContact O-N 2.91Å
957	H	95.5	Very high	95.5	Very high	36 Å²	36	17.8 Å²	17.8	17%	0.167	8%	0.078	C	C	.	.	H	α-helix	trans	-58.9	-37.2	173.6	179.9	-69.4	0	0	0	112.3	D747 A953 Y955 F961	D747-H957 HydrophobicContact CB-CB 4.29Å; A953-H957 PolarHBondContact O-N 3.1Å; Y955-H957 PolarHBondContact O-N 3.35Å; H957-F961 AromaticContact CE1-CD2 3.45Å; H957-F961 VanDerWaalsContact CE1-CD2 3.45Å; H957-F961 WeakPolarHBondContact CE1-CD2 3.37Å; H957-F961 AromaticContact CE1-CE2 3.26Å; H957-F961 WeakPolarHBondContact CE1-CE2 3.28Å; H957-F961 AromaticContact ND1-CD2 3.62Å; H957-F961 AromaticContact ND1-CE2 3.89Å; H957-F961 AromaticContact NE2-CE2 3.47Å; H957-F961 WeakPolarHBondContact NE2-CE2 3.04Å; H957-F961 WeakPolarHBondContact O-CB 3.28Å; H957-F961 WeakPolarHBondContact O-CD2 3.22Å; H957-F961 PolarHBondContact O-N 2.96Å
958	L	96.3	Very high	94.7	Very high	26 Å²	26	21 Å²	21	14%	0.136	10%	0.097	C	C	.	.	H	α-helix	trans	-67.6	-35.5	174	-71.4	179.4	0	0	0	113.2	Y940 Y954 Y955 A956 R962 F1008	Y940-L958 HydrophobicContact CE2-CD1 4.2Å; Y954-L958 HydrophobicContact CD1-CG 4.5Å; Y954-L958 WeakPolarHBondContact O-CG 3.46Å; Y954-L958 PolarHBondContact O-N 3.07Å; Y955-L958 HydrophobicContact CD1-CD1 4.37Å; Y955-L958 WeakPolarHBondContact O-CB 3.24Å; Y955-L958 PolarHBondContact O-N 3.41Å; Y955-L958 VanDerWaalsContact O-N 3.09Å; A956-L958 VanDerWaalsContact C-N 3.3Å; A956-L958 PolarHBondContact O-N 3Å; L958-R962 WeakPolarHBondContact O-CB 3.31Å; L958-R962 PolarHBondContact O-N 3.08Å; L958-F1008 HydrophobicContact CB-CB 4.36Å; L958-F1008 HydrophobicContact CB-CD2 4.4Å
959	V	97.1	Very high	93.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.6	-47.4	175.7	171.1	0	0	0	0	110.6	A763 V765 A777 V779 Y955 A956 F961 R962 A963 F1008	A763-V959 HydrophobicContact CB-CB 3.85Å; A763-V959 HydrophobicContact CB-CG1 3.64Å; V765-V959 HydrophobicContact CG1-CG2 3.91Å; A777-V959 HydrophobicContact CB-CG1 4.18Å; A777-V959 HydrophobicContact CB-CG2 3.59Å; V779-V959 HydrophobicContact CB-CG1 3.93Å; V779-V959 HydrophobicContact CG2-CG1 4.21Å; Y955-V959 WeakPolarHBondContact O-CG2 3.39Å; Y955-V959 PolarHBondContact O-N 3.27Å; A956-V959 WeakPolarHBondContact O-CB 3.42Å; A956-V959 PolarHBondContact O-N 3.28Å; A956-V959 VanDerWaalsContact O-N 3.08Å; V959-F961 VanDerWaalsContact C-N 3.34Å; V959-F961 PolarHBondContact O-N 2.86Å; V959-R962 WeakPolarHBondContact O-CB 3.49Å; V959-R962 PolarHBondContact O-N 3.03Å; V959-A963 PolarHBondContact O-N 2.77Å; V959-F1008 HydrophobicContact CG2-CB 3.78Å; V959-F1008 HydrophobicContact CG2-CD1 3.45Å; V959-F1008 VanDerWaalsContact CG2-CD1 3.45Å; V959-F1008 HydrophobicContact CG2-CD2 4.2Å; V959-F1008 HydrophobicContact CG2-CE1 4.02Å; V959-F1008 HydrophobicContact CG2-CG 3.55Å
960	A	95.3	Very high	91.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-41.7	177.9	0	0	0	0	0	111.9	D747 I761 A763 A956 R964	D747-A960 WeakPolarHBondContact OD2-CB 3.3Å; I761-A960 HydrophobicContact CG2-CB 4.13Å; A763-A960 HydrophobicContact CB-CB 3.84Å; A956-A960 PolarHBondContact O-N 2.91Å; A960-R964 PolarHBondContact O-N 2.77Å
961	F	93.1	Very high	88.2	Confident	64 Å²	64	38.7 Å²	38.7	28%	0.281	18%	0.178	S	C	.	.	H	α-helix	trans	-66.4	-32.7	172	-92.9	-98.9	0	0	0	113.5	T749 H957 V959 R964 Y965	T749-F961 HydrophobicContact CG2-CD2 4.17Å; T749-F961 HydrophobicContact CG2-CE2 3.91Å; T749-F961 HydrophobicContact CG2-CZ 4.44Å; H957-F961 AromaticContact CE1-CD2 3.45Å; H957-F961 VanDerWaalsContact CE1-CD2 3.45Å; H957-F961 WeakPolarHBondContact CE1-CD2 3.37Å; H957-F961 AromaticContact CE1-CE2 3.26Å; H957-F961 WeakPolarHBondContact CE1-CE2 3.28Å; H957-F961 AromaticContact ND1-CD2 3.62Å; H957-F961 AromaticContact ND1-CE2 3.89Å; H957-F961 AromaticContact NE2-CE2 3.47Å; H957-F961 WeakPolarHBondContact NE2-CE2 3.04Å; H957-F961 WeakPolarHBondContact O-CB 3.28Å; H957-F961 WeakPolarHBondContact O-CD2 3.22Å; H957-F961 PolarHBondContact O-N 2.96Å; V959-F961 VanDerWaalsContact C-N 3.34Å; V959-F961 PolarHBondContact O-N 2.86Å; F961-R964 PolarHBondContact O-N 2.81Å; F961-Y965 WeakPolarHBondContact O-CD2 3.37Å; F961-Y965 PolarHBondContact O-N 2.55Å
962	R	94.5	Very high	84.9	Confident	11 Å²	11	45.5 Å²	45.5	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-68.3	-47.6	175.6	-178.8	62.5	67.5	77.9	17.2	111.4	D687 L958 V959 R964 Y965 H966 Y1007 F1008	D687-R962 VanDerWaalsContact CG-NH1 3.32Å; D687-R962 IonicContact OD1-NH1 2.97Å; D687-R962 PolarHBondContact OD1-NH1 3.2Å; D687-R962 WeakPolarHBondContact OD2-CD 3.27Å; D687-R962 IonicContact OD2-CZ 3.33Å; D687-R962 IonicContact OD2-NE 2.93Å; D687-R962 IonicContact OD2-NH1 3.99Å; D687-R962 PolarHBondContact OD2-NH1 2.72Å; L958-R962 WeakPolarHBondContact O-CB 3.31Å; L958-R962 PolarHBondContact O-N 3.08Å; V959-R962 WeakPolarHBondContact O-CB 3.49Å; V959-R962 PolarHBondContact O-N 3.03Å; R962-R964 PolarHBondContact O-N 2.75Å; R962-Y965 WeakPolarHBondContact O-CA 3.2Å; R962-Y965 WeakPolarHBondContact O-CB 3.24Å; R962-Y965 PolarHBondContact O-N 2.95Å; R962-H966 PolarHBondContact O-N 3.4Å; R962-H966 VanDerWaalsContact O-N 3.1Å; R962-Y1007 HydrophobicContact CG-CD2 4.22Å; R962-Y1007 HydrophobicContact CG-CE2 3.76Å; R962-Y1007 VanDerWaalsContact CZ-O 3.26Å; R962-Y1007 PolarHBondContact NH1-O 3.02Å; R962-Y1007 PolarHBondContact NH2-O 2.86Å; R962-F1008 VanDerWaalsContact NH2-C 3.33Å; R962-F1008 VanDerWaalsContact NH2-CA 3.32Å; R962-F1008 PolarHBondContact NH2-O 3.19Å
963	A	94.3	Very high	81.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-31.2	174.5	0	0	0	0	0	112.4	I761 V779 V959 Y965 H966 L967 V996	I761-A963 HydrophobicContact CD1-CB 4.25Å; I761-A963 HydrophobicContact CG2-CB 4Å; V779-A963 HydrophobicContact CG2-CB 3.66Å; V959-A963 PolarHBondContact O-N 2.77Å; A963-Y965 VanDerWaalsContact C-N 3.26Å; A963-Y965 PolarHBondContact O-N 3.46Å; A963-H966 PolarHBondContact O-N 2.88Å; A963-H966 VanDerWaalsContact O-N 3.13Å; A963-L967 WeakPolarHBondContact O-CG 3.36Å; A963-L967 PolarHBondContact O-N 2.94Å; A963-V996 HydrophobicContact CB-CB 4.12Å; A963-V996 HydrophobicContact CB-CG1 3.8Å
964	R	91.2	Very high	78.1	Confident	48 Å²	48	57.9 Å²	57.9	18%	0.181	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-28.6	171.6	-167.8	64	72.6	-173.5	4.9	113.1	T749 P759 I761 A960 F961 R962	T749-R964 PolarHBondContact O-NH2 3.41Å; P759-R964 VanDerWaalsContact O-CZ 3.29Å; P759-R964 PolarHBondContact O-NH1 2.99Å; P759-R964 PolarHBondContact O-NH2 3.27Å; I761-R964 HydrophobicContact CD1-CB 3.75Å; I761-R964 HydrophobicContact CD1-CG 4.42Å; I761-R964 VanDerWaalsContact CD1-CZ 3.47Å; A960-R964 PolarHBondContact O-N 2.77Å; F961-R964 PolarHBondContact O-N 2.81Å; R962-R964 PolarHBondContact O-N 2.75Å
965	Y	90.8	Very high	74.7	Confident	107 Å²	107	60.3 Å²	60.3	42%	0.42	32%	0.319	S	S	.	.	H	α-helix	trans	-77.2	-33.6	169.7	-81.7	-74.9	0	0	0	112.8	Y679 A680 F961 R962 A963 L967 V968	Y679-Y965 AromaticContact CD1-CD1 3.93Å; Y679-Y965 HydrophobicContact CD1-CD1 3.93Å; Y679-Y965 AromaticContact CD1-CE1 3.79Å; Y679-Y965 HydrophobicContact CD1-CE1 3.79Å; Y679-Y965 HydrophobicContact CD1-CE2 4.48Å; Y679-Y965 HydrophobicContact CD1-CG 4.34Å; Y679-Y965 HydrophobicContact CE1-CD1 4.14Å; Y679-Y965 AromaticContact CE1-CD2 4Å; Y679-Y965 HydrophobicContact CE1-CD2 4Å; Y679-Y965 HydrophobicContact CE1-CE1 4.07Å; Y679-Y965 AromaticContact CE1-CE2 3.93Å; Y679-Y965 HydrophobicContact CE1-CE2 3.93Å; Y679-Y965 HydrophobicContact CE1-CG 4.1Å; Y679-Y965 AromaticContact CE1-CZ 3.96Å; A680-Y965 HydrophobicContact CB-CD1 4.12Å; F961-Y965 WeakPolarHBondContact O-CD2 3.37Å; F961-Y965 PolarHBondContact O-N 2.55Å; R962-Y965 WeakPolarHBondContact O-CA 3.2Å; R962-Y965 WeakPolarHBondContact O-CB 3.24Å; R962-Y965 PolarHBondContact O-N 2.95Å; A963-Y965 VanDerWaalsContact C-N 3.26Å; A963-Y965 PolarHBondContact O-N 3.46Å; Y965-L967 VanDerWaalsContact C-N 3.3Å; Y965-L967 PolarHBondContact O-N 3.46Å; Y965-V968 WeakPolarHBondContact O-CB 3.42Å; Y965-V968 WeakPolarHBondContact O-CG2 3.39Å; Y965-V968 PolarHBondContact O-N 2.96Å
966	H	91.8	Very high	71.3	Confident	8 Å²	8	69 Å²	69	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-67.8	-29.8	176	-59.7	149.5	0	0	0	113.1	K683 D687 I688 R962 A963 V968 A995	K683-H966 PolarHBondContact O-CD2 3.21Å; K683-H966 PolarHBondContact O-NE2 3.46Å; D687-H966 IonicContact OD2-CE1 2.76Å; D687-H966 PolarHBondContact OD2-CE1 2.97Å; D687-H966 IonicContact OD2-NE2 2.92Å; D687-H966 PolarHBondContact OD2-NE2 3.38Å; I688-H966 HydrophobicContact CD1-CB 3.72Å; R962-H966 PolarHBondContact O-N 3.4Å; R962-H966 VanDerWaalsContact O-N 3.1Å; A963-H966 PolarHBondContact O-N 2.88Å; A963-H966 VanDerWaalsContact O-N 3.13Å; H966-V968 PolarHBondContact O-N 3.26Å; H966-A995 VanDerWaalsContact CB-O 3.22Å; H966-A995 WeakPolarHBondContact CB-O 3.41Å
967	L	88.1	Confident	67.9	Low	18 Å²	18	73 Å²	73	9%	0.094	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	8.2	174.2	-70.1	167.8	0	0	0	114.9	P759 I761 V781 A963 Y965 E969 M992 A995 V996	P759-L967 HydrophobicContact CG-CD1 4.44Å; I761-L967 HydrophobicContact CD1-CD1 3.77Å; I761-L967 HydrophobicContact CG1-CD1 4.17Å; V781-L967 HydrophobicContact CG1-CD1 3.76Å; A963-L967 WeakPolarHBondContact O-CG 3.36Å; A963-L967 PolarHBondContact O-N 2.94Å; Y965-L967 VanDerWaalsContact C-N 3.3Å; Y965-L967 PolarHBondContact O-N 3.46Å; L967-E969 PolarHBondContact O-N 3.09Å; L967-M992 HydrophobicContact CD2-CB 4.14Å; L967-M992 HydrophobicContact CD2-CG 4.32Å; L967-A995 HydrophobicContact CD2-CB 3.87Å; L967-V996 HydrophobicContact CD1-CG1 3.84Å; L967-V996 HydrophobicContact CD2-CG1 4Å; L967-V996 HydrophobicContact CG-CG1 3.68Å
968	V	80.7	Confident	64.6	Low	80 Å²	80	76.9 Å²	76.9	49%	0.485	43%	0.433	S	S	.	.			trans	-81.2	109.8	170.7	178.5	0	0	0	0	108.1	A680 Y965 H966	A680-V968 HydrophobicContact CB-CB 4.31Å; A680-V968 HydrophobicContact CB-CG1 4.48Å; Y965-V968 WeakPolarHBondContact O-CB 3.42Å; Y965-V968 WeakPolarHBondContact O-CG2 3.39Å; Y965-V968 PolarHBondContact O-N 2.96Å; H966-V968 PolarHBondContact O-N 3.26Å
969	E	65.6	Low	61.3	Low	118 Å²	118	83.4 Å²	83.4	55%	0.551	46%	0.462	S	S	*	.			trans	-67.8	155.8	168.9	-80.2	158.5	178.9	0	0	110.5	L967 E971 R987	L967-E969 PolarHBondContact O-N 3.09Å; E969-E971 PolarHBondContact O-N 3.26Å; E969-E971 VanDerWaalsContact O-N 3.16Å; E969-R987 VanDerWaalsContact CD-CZ 3.46Å; E969-R987 IonicContact OE1-CZ 2.73Å; E969-R987 IonicContact OE1-NE 2.67Å; E969-R987 PolarHBondContact OE1-NE 3.04Å; E969-R987 IonicContact OE1-NH2 3.74Å; E969-R987 PolarHBondContact OE1-NH2 3.35Å; E969-R987 IonicContact OE2-CZ 2.72Å; E969-R987 IonicContact OE2-NE 3.24Å; E969-R987 IonicContact OE2-NH2 3.53Å; E969-R987 PolarHBondContact OE2-NH2 3.09Å
970	K	53.1	Low	57.9	Low	80 Å²	80	94.1 Å²	94.1	35%	0.348	51%	0.509	S	S	.	.			trans	-66.6	108.9	153.7	-63.3	-174.3	-178.5	-176.5	0	106.1	D649 E681 I972	D649-K970 IonicContact OD1-NZ 3.05Å; D649-K970 PolarHBondContact OD1-NZ 2.83Å; E681-K970 WeakPolarHBondContact OE1-CE 3.47Å; E681-K970 IonicContact OE1-NZ 3.92Å; E681-K970 PolarHBondContact OE1-NZ 2.99Å; E681-K970 VanDerWaalsContact OE1-NZ 3.07Å; K970-I972 VanDerWaalsContact C-N 3.3Å; K970-I972 PolarHBondContact O-N 3.44Å
971	E	37.2	Very low	54.6	Low	188 Å²	188	98.4 Å²	98.4	88%	0.879	54%	0.539	S	S	*	.			trans	-60.8	101.7	160.4	-71.6	-179.5	165.9	0	0	105.5	E969 D973	E969-E971 PolarHBondContact O-N 3.26Å; E969-E971 VanDerWaalsContact O-N 3.16Å; E971-D973 PolarHBondContact O-N 3.01Å; E971-D973 VanDerWaalsContact O-N 3.16Å
972	I	29.5	Very low	51.4	Low	142 Å²	142	99 Å²	99	73%	0.728	56%	0.563	S	S	*	*			trans	-70.9	111.1	177.2	-57.4	179.8	0	0	0	105.8	K970 S974	K970-I972 VanDerWaalsContact C-N 3.3Å; K970-I972 PolarHBondContact O-N 3.44Å; I972-S974 WeakPolarHBondContact CG2-OG 3.29Å; I972-S974 PolarHBondContact O-N 2.54Å
973	D	26.3	Very low	48.1	Very low	167 Å²	167	105 Å²	105	89%	0.893	60%	0.596	S	S	*	*			trans	-77.8	60.7	-179.1	-138.3	-2.6	0	0	0	109.4	E971 G975	E971-D973 PolarHBondContact O-N 3.01Å; E971-D973 VanDerWaalsContact O-N 3.16Å; D973-G975 PolarHBondContact O-N 3.42Å
974	S	26	Very low	45.2	Very low	94 Å²	94	110.4 Å²	110.4	66%	0.657	63%	0.634	S	S	*	*			trans	-68.3	80.4	172.1	-71.2	0	0	0	0	108.6	I972 E976	I972-S974 WeakPolarHBondContact CG2-OG 3.29Å; I972-S974 PolarHBondContact O-N 2.54Å; S974-E976 PolarHBondContact O-N 2.97Å
975	G	26.8	Very low	42.8	Very low	78 Å²	78	114.3 Å²	114.3	80%	0.804	66%	0.658	S	S	*	*			trans	-70.8	54.4	179.7	0	0	0	0	0	113.8	D973	D973-G975 PolarHBondContact O-N 3.42Å
976	E	25.6	Very low	40.6	Very low	183 Å²	183	117.8 Å²	117.8	86%	0.855	68%	0.678	S	S	*	*	S	Bend	trans	-139.6	140.1	172.9	-124.5	170.8	-147.9	0	0	111.3	S974 S978	S974-E976 PolarHBondContact O-N 2.97Å; E976-S978 PolarHBondContact O-N 3.39Å
977	G	27.5	Very low	38.9	Very low	85 Å²	85	121.4 Å²	121.4	88%	0.876	69%	0.692	S	S	*	*			trans	-82	65.3	-163.8	0	0	0	0	0	115
978	S	25.7	Very low	38	Very low	117 Å²	117	124.5 Å²	124.5	82%	0.818	71%	0.711	S	S	*	*			trans	-81.4	149.5	171.7	-164	0	0	0	0	112.8	E976	E976-S978 PolarHBondContact O-N 3.39Å
979	Q	26.5	Very low	37.7	Very low	163 Å²	163	125 Å²	125	76%	0.762	72%	0.717	S	S	*	*			trans	-77.5	153.8	-175.1	-61.6	-177.1	2.1	0	0	111.9	S981	Q979-S981 VanDerWaalsContact C-N 3.27Å; Q979-S981 PolarHBondContact O-N 2.9Å
980	K	26.5	Very low	38.3	Very low	226 Å²	226	123.2 Å²	123.2	98%	0.983	71%	0.714	S	S	*	*	S	Bend	trans	-78.5	77.4	172.9	-75	-164.1	172	-165.1	0	111.2
981	S	25.3	Very low	39.6	Very low	90 Å²	90	121.8 Å²	121.8	63%	0.629	72%	0.717	S	S	*	*			trans	-142.3	120.4	176.5	50.5	0	0	0	0	109.3	Q979	Q979-S981 VanDerWaalsContact C-N 3.27Å; Q979-S981 PolarHBondContact O-N 2.9Å
982	G	26	Very low	41.7	Very low	76 Å²	76	114.2 Å²	114.2	78%	0.784	68%	0.682	S	S	*	*	S	Bend	trans	97.8	142.8	-171.2	0	0	0	0	0	112.7	S984	G982-S984 PolarHBondContact O-N 2.94Å
983	N	26.2	Very low	44.1	Very low	136 Å²	136	111 Å²	111	73%	0.727	67%	0.665	S	S	*	*			trans	-10.3	108.1	-175.2	-66.7	12.6	0	0	0	117.5	D985	N983-D985 PolarHBondContact ND2-OD1 2.76Å; N983-D985 PolarHBondContact O-N 3.07Å
984	S	33.3	Very low	46.9	Very low	115 Å²	115	112.1 Å²	112.1	80%	0.804	66%	0.656	S	S	*	*			trans	-69.4	103.9	132.3	55.4	0	0	0	0	106.8	G982 E986	G982-S984 PolarHBondContact O-N 2.94Å; S984-E986 PolarHBondContact O-N 3.23Å
985	D	39.6	Very low	49.8	Very low	129 Å²	129	109.3 Å²	109.3	69%	0.69	64%	0.639	S	S	*	*			trans	-55.8	112.6	177.1	-78.6	-26	0	0	0	109.9	N983 R987	N983-D985 PolarHBondContact ND2-OD1 2.76Å; N983-D985 PolarHBondContact O-N 3.07Å; D985-R987 PolarHBondContact O-N 2.84Å
986	E	46	Very low	52.8	Low	180 Å²	180	105.7 Å²	105.7	84%	0.841	60%	0.601	S	S	*	*			trans	-65.6	92.1	162.7	-72.7	-158.9	119.5	0	0	107.1	S984 T988	S984-E986 PolarHBondContact O-N 3.23Å; E986-T988 PolarHBondContact O-N 2.82Å
987	R	56.4	Low	55.9	Low	84 Å²	84	101 Å²	101	32%	0.317	59%	0.585	S	S	.	*			trans	-43.2	108.9	-179.5	-69	-173	-175.7	177.2	5.5	109.1	E969 D985 M992	E969-R987 VanDerWaalsContact CD-CZ 3.46Å; E969-R987 IonicContact OE1-CZ 2.73Å; E969-R987 IonicContact OE1-NE 2.67Å; E969-R987 PolarHBondContact OE1-NE 3.04Å; E969-R987 IonicContact OE1-NH2 3.74Å; E969-R987 PolarHBondContact OE1-NH2 3.35Å; E969-R987 IonicContact OE2-CZ 2.72Å; E969-R987 IonicContact OE2-NE 3.24Å; E969-R987 IonicContact OE2-NH2 3.53Å; E969-R987 PolarHBondContact OE2-NH2 3.09Å; D985-R987 PolarHBondContact O-N 2.84Å; R987-M992 HydrophobicContact CB-CE 4.18Å; R987-M992 HydrophobicContact CB-CG 3.95Å; R987-M992 HydrophobicContact CB-SD 3.95Å; R987-M992 WeakPolarHBondContact O-CE 3.49Å
988	T	69.1	Low	59	Low	83 Å²	83	97.5 Å²	97.5	51%	0.509	55%	0.546	S	S	.	.			trans	-57.8	140.5	-178.2	57.9	0	0	0	0	109.3	E986 T990 A991 M992	E986-T988 PolarHBondContact O-N 2.82Å; T988-T990 PolarHBondContact O-N 2.74Å; T988-A991 WeakPolarHBondContact O-CB 3.43Å; T988-A991 PolarHBondContact O-N 3.47Å; T988-A991 PolarHBondContact OG1-N 3.09Å; T988-M992 PolarHBondContact O-N 2.89Å
989	P	73.2	Confident	62.3	Low	91 Å²	91	94.1 Å²	94.1	59%	0.591	52%	0.518	S	S	*	.	H	α-helix	trans	-51.6	-35.9	179.5	-29.9	36.2	0	0	0	112.4	A991 M992 M993	P989-A991 PolarHBondContact O-N 2.78Å; P989-M992 PolarHBondContact O-N 3.48Å; P989-M993 WeakPolarHBondContact O-CG 3.33Å; P989-M993 PolarHBondContact O-N 2.95Å
990	T	78.2	Confident	65.3	Low	81 Å²	81	89 Å²	89	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-55.1	-45.1	172.9	-44.3	0	0	0	0	113.7	T988 M993 R994	T988-T990 PolarHBondContact O-N 2.74Å; T990-M993 PolarHBondContact O-N 2.86Å; T990-R994 WeakPolarHBondContact O-CG 3.47Å; T990-R994 PolarHBondContact O-N 3.11Å
991	A	80.5	Confident	68.3	Low	49 Å²	49	82.9 Å²	82.9	41%	0.405	47%	0.474	S	S	.	.	H	α-helix	trans	-66.7	-42.1	178.1	0	0	0	0	0	111.4	T988 P989 R994 A995	T988-A991 WeakPolarHBondContact O-CB 3.43Å; T988-A991 PolarHBondContact O-N 3.47Å; T988-A991 PolarHBondContact OG1-N 3.09Å; P989-A991 PolarHBondContact O-N 2.78Å; A991-R994 PolarHBondContact O-N 2.91Å; A991-A995 WeakPolarHBondContact O-CB 3.48Å; A991-A995 PolarHBondContact O-N 2.89Å
992	M	81.5	Confident	71.4	Confident	29 Å²	29	78.8 Å²	78.8	14%	0.143	45%	0.445	C	S	.	.	H	α-helix	trans	-69.4	-31.4	176.7	-66.9	-169.9	-69.2	0	0	112.9	P759 V781 L967 R987 T988 P989 A995 V996	P759-M992 HydrophobicContact CG-CE 4.49Å; P759-M992 HydrophobicContact CG-SD 3.86Å; V781-M992 HydrophobicContact CG1-CB 4.42Å; V781-M992 HydrophobicContact CG2-CB 3.9Å; L967-M992 HydrophobicContact CD2-CB 4.14Å; L967-M992 HydrophobicContact CD2-CG 4.32Å; R987-M992 HydrophobicContact CB-CE 4.18Å; R987-M992 HydrophobicContact CB-CG 3.95Å; R987-M992 HydrophobicContact CB-SD 3.95Å; R987-M992 WeakPolarHBondContact O-CE 3.49Å; T988-M992 PolarHBondContact O-N 2.89Å; P989-M992 PolarHBondContact O-N 3.48Å; M992-A995 PolarHBondContact O-N 3.41Å; M992-V996 PolarHBondContact O-N 2.87Å
993	M	80.6	Confident	74.2	Confident	75 Å²	75	77.8 Å²	77.8	37%	0.369	42%	0.421	S	S	.	.	H	α-helix	trans	-65.8	-48.4	170.4	-76.6	-146.6	-68.9	0	0	111.7	V781 P989 T990 A995 V996 T997	V781-M993 HydrophobicContact CG2-CG 3.71Å; P989-M993 WeakPolarHBondContact O-CG 3.33Å; P989-M993 PolarHBondContact O-N 2.95Å; T990-M993 PolarHBondContact O-N 2.86Å; M993-A995 PolarHBondContact O-N 2.88Å; M993-V996 WeakPolarHBondContact O-CG2 3.44Å; M993-V996 PolarHBondContact O-N 3.38Å; M993-T997 PolarHBondContact O-N 2.8Å; M993-T997 VanDerWaalsContact O-N 3.1Å; M993-T997 PolarHBondContact O-OG1 3.19Å; M993-T997 VanDerWaalsContact O-OG1 3.09Å
994	R	84.1	Confident	76.8	Confident	190 Å²	190	80.2 Å²	80.2	72%	0.717	42%	0.42	S	S	*	.	H	α-helix	trans	-55.7	-39.9	174.9	-74	179.3	178.8	-176.8	-0.3	111.7	T990 A991 V996 T997	T990-R994 WeakPolarHBondContact O-CG 3.47Å; T990-R994 PolarHBondContact O-N 3.11Å; A991-R994 PolarHBondContact O-N 2.91Å; R994-V996 PolarHBondContact O-N 3.18Å; R994-T997 PolarHBondContact O-N 2.94Å
995	A	86.6	Confident	79.3	Confident	35 Å²	35	76.4 Å²	76.4	29%	0.289	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-2.5	177.7	0	0	0	0	0	115.4	I688 H966 L967 A991 M992 M993	I688-A995 WeakPolarHBondContact CD1-O 3.43Å; H966-A995 VanDerWaalsContact CB-O 3.22Å; H966-A995 WeakPolarHBondContact CB-O 3.41Å; L967-A995 HydrophobicContact CD2-CB 3.87Å; A991-A995 WeakPolarHBondContact O-CB 3.48Å; A991-A995 PolarHBondContact O-N 2.89Å; M992-A995 PolarHBondContact O-N 3.41Å; M993-A995 PolarHBondContact O-N 2.88Å
996	V	89.9	Confident	82	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.012	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-4.8	171.2	-57.7	0	0	0	0	114	V779 V781 A963 L967 M992 M993 R994 V998	V779-V996 HydrophobicContact CG1-CB 4.04Å; V779-V996 HydrophobicContact CG1-CG2 4.14Å; V779-V996 WeakPolarHBondContact CG1-O 3.41Å; V781-V996 HydrophobicContact CG1-CG1 4.22Å; V781-V996 HydrophobicContact CG1-CG2 4.41Å; A963-V996 HydrophobicContact CB-CB 4.12Å; A963-V996 HydrophobicContact CB-CG1 3.8Å; L967-V996 HydrophobicContact CD1-CG1 3.84Å; L967-V996 HydrophobicContact CD2-CG1 4Å; L967-V996 HydrophobicContact CG-CG1 3.68Å; M992-V996 PolarHBondContact O-N 2.87Å; M993-V996 WeakPolarHBondContact O-CG2 3.44Å; M993-V996 PolarHBondContact O-N 3.38Å; R994-V996 PolarHBondContact O-N 3.18Å; V996-V998 PolarHBondContact O-N 3.08Å
997	T	91.1	Very high	84.4	Confident	85 Å²	85	62.6 Å²	62.6	52%	0.521	32%	0.323	S	S	.	.			trans	-75.3	112.1	175.2	-62.9	0	0	0	0	110.3	I688 M993 R994	I688-T997 WeakPolarHBondContact CG2-O 3.48Å; M993-T997 PolarHBondContact O-N 2.8Å; M993-T997 VanDerWaalsContact O-N 3.1Å; M993-T997 PolarHBondContact O-OG1 3.19Å; M993-T997 VanDerWaalsContact O-OG1 3.09Å; R994-T997 PolarHBondContact O-N 2.94Å
998	V	92.8	Very high	86.2	Confident	11 Å²	11	58.7 Å²	58.7	7%	0.067	31%	0.308	C	S	.	.			trans	-78.4	158.5	178.8	-64.8	0	0	0	0	113.2	D687 I688 V996 T1002 L1003 Y1007	D687-V998 HydrophobicContact CB-CG1 4.29Å; D687-V998 WeakPolarHBondContact O-CB 3.24Å; I688-V998 HydrophobicContact CG1-CG1 4.25Å; V996-V998 PolarHBondContact O-N 3.08Å; V998-T1002 HydrophobicContact CB-CG2 3.93Å; V998-T1002 HydrophobicContact CG1-CG2 4.34Å; V998-T1002 HydrophobicContact CG2-CG2 4.25Å; V998-L1003 HydrophobicContact CG2-CD2 3.5Å; V998-L1003 VanDerWaalsContact CG2-CD2 3.5Å; V998-L1003 HydrophobicContact CG2-CG 4Å; V998-Y1007 HydrophobicContact CG1-CD2 4.4Å; V998-Y1007 HydrophobicContact CG1-CE1 4.39Å; V998-Y1007 HydrophobicContact CG1-CE2 3.72Å; V998-Y1007 HydrophobicContact CG2-CE1 4.39Å
999	H	94.1	Very high	87.2	Confident	47 Å²	47	54.9 Å²	54.9	22%	0.218	29%	0.285	C	S	.	.			trans	-58.2	146.6	-179.8	-162.7	-109.4	0	0	0	111.7	D687 I688 G691 E1001 T1002 L1003	D687-H999 PolarHBondContact O-N 2.86Å; I688-H999 WeakPolarHBondContact O-CB 3.47Å; G691-H999 WeakPolarHBondContact CA-ND1 3.5Å; H999-E1001 IonicContact CE1-OE2 2.95Å; H999-E1001 PolarHBondContact CE1-OE2 3.35Å; H999-E1001 IonicContact ND1-OE2 3.39Å; H999-E1001 PolarHBondContact ND1-OE2 3.15Å; H999-E1001 PolarHBondContact O-N 3.47Å; H999-E1001 VanDerWaalsContact O-N 3.1Å; H999-T1002 WeakPolarHBondContact CB-OG1 3.14Å; H999-T1002 WeakPolarHBondContact O-CA 3.38Å; H999-T1002 VanDerWaalsContact O-CB 3.26Å; H999-T1002 WeakPolarHBondContact O-CB 3.49Å; H999-T1002 PolarHBondContact O-N 3.26Å; H999-L1003 PolarHBondContact O-N 2.88Å; H999-L1003 VanDerWaalsContact O-N 3.16Å
1000	P	90.7	Very high	87.9	Confident	56 Å²	56	53.1 Å²	53.1	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.4	179.9	-28.2	36.8	0	0	0	115.2	Y27	Y27-P1000 HydrophobicContact CE1-CG 4.03Å
1001	E	88.3	Confident	88.5	Confident	97 Å²	97	51.6 Å²	51.6	45%	0.453	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-42.3	172	-62.1	174.2	131.6	0	0	111.1	K659 H999 L1003 R1004	K659-E1001 IonicContact NZ-OE1 3.74Å; K659-E1001 IonicContact NZ-OE2 2.68Å; K659-E1001 PolarHBondContact NZ-OE2 3.31Å; H999-E1001 IonicContact CE1-OE2 2.95Å; H999-E1001 PolarHBondContact CE1-OE2 3.35Å; H999-E1001 IonicContact ND1-OE2 3.39Å; H999-E1001 PolarHBondContact ND1-OE2 3.15Å; H999-E1001 PolarHBondContact O-N 3.47Å; H999-E1001 VanDerWaalsContact O-N 3.1Å; E1001-L1003 VanDerWaalsContact C-N 3.3Å; E1001-L1003 PolarHBondContact O-N 3.23Å; E1001-R1004 PolarHBondContact O-N 3.24Å
1002	T	91.1	Very high	88.9	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.025	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-62.7	-32.7	178.9	-51.8	0	0	0	0	112.6	D687 G691 V998 H999 R1004 V1005 Y1007	D687-T1002 HydrophobicContact CB-CG2 4.18Å; D687-T1002 WeakPolarHBondContact O-CB 3.42Å; D687-T1002 PolarHBondContact O-OG1 2.85Å; G691-T1002 WeakPolarHBondContact CA-OG1 3.23Å; V998-T1002 HydrophobicContact CB-CG2 3.93Å; V998-T1002 HydrophobicContact CG1-CG2 4.34Å; V998-T1002 HydrophobicContact CG2-CG2 4.25Å; H999-T1002 WeakPolarHBondContact CB-OG1 3.14Å; H999-T1002 WeakPolarHBondContact O-CA 3.38Å; H999-T1002 VanDerWaalsContact O-CB 3.26Å; H999-T1002 WeakPolarHBondContact O-CB 3.49Å; H999-T1002 PolarHBondContact O-N 3.26Å; T1002-R1004 PolarHBondContact O-N 3.07Å; T1002-R1004 VanDerWaalsContact O-N 3.11Å; T1002-V1005 WeakPolarHBondContact O-CG2 3.18Å; T1002-V1005 PolarHBondContact O-N 3.28Å; T1002-V1005 VanDerWaalsContact O-O 3.09Å; T1002-Y1007 VanDerWaalsContact CG2-CB 3.43Å; T1002-Y1007 HydrophobicContact CG2-CD1 3.66Å; T1002-Y1007 HydrophobicContact CG2-CD2 3.94Å; T1002-Y1007 HydrophobicContact CG2-CE1 4.39Å; T1002-Y1007 HydrophobicContact CG2-CG 3.4Å
1003	L	85.6	Confident	89.3	Confident	54 Å²	54	53.1 Å²	53.1	28%	0.283	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58	-23.1	176.9	-70.5	174.8	0	0	0	113.7	S776 V998 H999 E1001	S776-L1003 PolarHBondContact OG-O 2.84Å; V998-L1003 HydrophobicContact CG2-CD2 3.5Å; V998-L1003 VanDerWaalsContact CG2-CD2 3.5Å; V998-L1003 HydrophobicContact CG2-CG 4Å; H999-L1003 PolarHBondContact O-N 2.88Å; H999-L1003 VanDerWaalsContact O-N 3.16Å; E1001-L1003 VanDerWaalsContact C-N 3.3Å; E1001-L1003 PolarHBondContact O-N 3.23Å
1004	R	79.5	Confident	89.9	Confident	187 Å²	187	51.8 Å²	51.8	71%	0.706	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-88.4	-5.5	-175.7	-55	-177.7	-173.8	-174.5	0.7	113.7	R774 E1001 T1002	R774-R1004 PolarHBondContact NH2-O 3.41Å; E1001-R1004 PolarHBondContact O-N 3.24Å; T1002-R1004 PolarHBondContact O-N 3.07Å; T1002-R1004 VanDerWaalsContact O-N 3.11Å
1005	V	87.4	Confident	90.3	Very high	36 Å²	36	42.5 Å²	42.5	22%	0.218	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	156	-172.1	-67.1	0	0	0	0	112.4	K720 T1002 Y1007	K720-V1005 WeakPolarHBondContact O-CB 3.16Å; K720-V1005 WeakPolarHBondContact O-CG1 3.29Å; T1002-V1005 WeakPolarHBondContact O-CG2 3.18Å; T1002-V1005 PolarHBondContact O-N 3.28Å; T1002-V1005 VanDerWaalsContact O-O 3.09Å; V1005-Y1007 PolarHBondContact O-N 3.37Å
1006	M	95.6	Very high	90.5	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.03	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	60.1	179.9	-68.4	173	72.5	0	0	111.7	V719 Y775 V941 Y955 F1008 A1009	V719-M1006 HydrophobicContact CG1-CB 3.53Å; V719-M1006 HydrophobicContact CG1-CE 4.23Å; V719-M1006 HydrophobicContact CG1-CG 4.2Å; V719-M1006 HydrophobicContact CG1-SD 3.78Å; Y775-M1006 HydrophobicContact CD2-CE 4.32Å; Y775-M1006 PolarHBondContact N-SD 2.88Å; Y775-M1006 VanDerWaalsContact N-SD 3.36Å; Y775-M1006 WeakPolarHBondContact O-CG 3.43Å; V941-M1006 HydrophobicContact CG2-CE 4.03Å; Y955-M1006 HydrophobicContact CD1-CE 4.27Å; Y955-M1006 HydrophobicContact CD2-CE 4.12Å; Y955-M1006 HydrophobicContact CE1-CE 3.84Å; Y955-M1006 HydrophobicContact CE2-CE 3.69Å; Y955-M1006 HydrophobicContact CG-CE 4.41Å; M1006-F1008 HydrophobicContact CB-CE1 4.14Å; M1006-F1008 HydrophobicContact CB-CE2 4.12Å; M1006-F1008 HydrophobicContact CB-CZ 3.83Å; M1006-F1008 HydrophobicContact CE-CE2 3.81Å; M1006-F1008 HydrophobicContact CE-CZ 4Å; M1006-F1008 HydrophobicContact CG-CE1 4.21Å; M1006-F1008 HydrophobicContact CG-CE2 4.24Å; M1006-F1008 HydrophobicContact CG-CZ 3.67Å; M1006-F1008 PolarHBondContact O-N 2.99Å; M1006-F1008 VanDerWaalsContact O-N 3.08Å; M1006-A1009 WeakPolarHBondContact O-CB 3.14Å; M1006-A1009 PolarHBondContact O-N 3.36Å
1007	Y	95.3	Very high	90.6	Very high	12 Å²	12	46.2 Å²	46.2	5%	0.047	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.3	-177.3	73.1	-79.8	0	0	0	113.5	D687 A777 R962 V998 T1002 V1005 A1009	D687-Y1007 HydrophobicContact CB-CD2 3.92Å; D687-Y1007 HydrophobicContact CB-CE2 4.4Å; A777-Y1007 HydrophobicContact CB-CE1 4.21Å; R962-Y1007 HydrophobicContact CG-CD2 4.22Å; R962-Y1007 HydrophobicContact CG-CE2 3.76Å; R962-Y1007 VanDerWaalsContact CZ-O 3.26Å; R962-Y1007 PolarHBondContact NH1-O 3.02Å; R962-Y1007 PolarHBondContact NH2-O 2.86Å; V998-Y1007 HydrophobicContact CG1-CD2 4.4Å; V998-Y1007 HydrophobicContact CG1-CE1 4.39Å; V998-Y1007 HydrophobicContact CG1-CE2 3.72Å; V998-Y1007 HydrophobicContact CG2-CE1 4.39Å; T1002-Y1007 VanDerWaalsContact CG2-CB 3.43Å; T1002-Y1007 HydrophobicContact CG2-CD1 3.66Å; T1002-Y1007 HydrophobicContact CG2-CD2 3.94Å; T1002-Y1007 HydrophobicContact CG2-CE1 4.39Å; T1002-Y1007 HydrophobicContact CG2-CG 3.4Å; V1005-Y1007 PolarHBondContact O-N 3.37Å; Y1007-A1009 PolarHBondContact O-N 2.97Å
1008	F	95.1	Very high	90.5	Very high	3 Å²	3	43 Å²	43	1%	0.013	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.1	177.4	49.6	-93.2	0	0	0	114.4	A777 Y955 L958 V959 R962 M1006	A777-F1008 HydrophobicContact CB-CD1 4.07Å; A777-F1008 HydrophobicContact CB-CE1 3.79Å; Y955-F1008 HydrophobicContact CD1-CD2 4.34Å; Y955-F1008 AromaticContact CD1-CE2 3.79Å; Y955-F1008 HydrophobicContact CD1-CE2 3.79Å; Y955-F1008 HydrophobicContact CD2-CE2 4.47Å; Y955-F1008 AromaticContact CG-CE2 3.74Å; Y955-F1008 HydrophobicContact CG-CE2 3.74Å; L958-F1008 HydrophobicContact CB-CB 4.36Å; L958-F1008 HydrophobicContact CB-CD2 4.4Å; V959-F1008 HydrophobicContact CG2-CB 3.78Å; V959-F1008 HydrophobicContact CG2-CD1 3.45Å; V959-F1008 VanDerWaalsContact CG2-CD1 3.45Å; V959-F1008 HydrophobicContact CG2-CD2 4.2Å; V959-F1008 HydrophobicContact CG2-CE1 4.02Å; V959-F1008 HydrophobicContact CG2-CG 3.55Å; R962-F1008 VanDerWaalsContact NH2-C 3.33Å; R962-F1008 VanDerWaalsContact NH2-CA 3.32Å; R962-F1008 PolarHBondContact NH2-O 3.19Å; M1006-F1008 HydrophobicContact CB-CE1 4.14Å; M1006-F1008 HydrophobicContact CB-CE2 4.12Å; M1006-F1008 HydrophobicContact CB-CZ 3.83Å; M1006-F1008 HydrophobicContact CE-CE2 3.81Å; M1006-F1008 HydrophobicContact CE-CZ 4Å; M1006-F1008 HydrophobicContact CG-CE1 4.21Å; M1006-F1008 HydrophobicContact CG-CE2 4.24Å; M1006-F1008 HydrophobicContact CG-CZ 3.67Å; M1006-F1008 PolarHBondContact O-N 2.99Å; M1006-F1008 VanDerWaalsContact O-N 3.08Å
1009	A	91	Very high	90.3	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	22%	0.216	C	C	.	.			trans	-58.2	0	-176.5	0	0	0	0	0	115.3	K716 V719 K720 R942 M1006 Y1007	K716-A1009 PolarHBondContact NZ-O 3.09Å; K716-A1009 PolarHBondContact NZ-OXT 3.1Å; V719-A1009 HydrophobicContact CG1-CB 3.96Å; K720-A1009 WeakPolarHBondContact CE-O 3.5Å; K720-A1009 HydrophobicContact CG-CB 4.37Å; K720-A1009 PolarHBondContact NZ-O 3.43Å; R942-A1009 WeakPolarHBondContact CD-OXT 2.77Å; R942-A1009 PolarHBondContact NE-OXT 3.09Å; R942-A1009 PolarHBondContact NH1-OXT 3.47Å; M1006-A1009 WeakPolarHBondContact O-CB 3.14Å; M1006-A1009 PolarHBondContact O-N 3.36Å; Y1007-A1009 PolarHBondContact O-N 2.97Å

Retrieved 1,009 of 1,009 residues in 214.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).