A0A096NR15_PAPAN Loading...

Mannosyl-oligosaccharide glucosidase

Cleaves the distal alpha 1,2-linked glucose residue from the Glc(3)Man(9)GlcNAc(2) oligosaccharide precursor. In the context of N-glycan degradation, cleaves the distal alpha 1,2-linked glucose residue from the Glc(3)Man(9)GlcNAc(2) oligosaccharide precursor in a highly specific manner.

AlphaFold DB , UniProt , Accession A0A096NR15, Species PAPAN (Papio anubis, Olive baboon), Gene MOGS, Length 837 aa.

						>A0A096NR15_PAPAN|A0A096NR15|MOGS
MARGERRRRAVPAEGVRTVERAARGGPGRRDGRGGGPRSTAGGVALAVVVLSLALGMSGRWVLAWHRARRAVTLHSAPPVLPADSSSPAVAPDLFWGTYRPHVYFGMKTRSPKPLLTGLMWAQQGTTPGTPKLRHTCEQGDGVGPYGWEFHDGLSFGRQHIQDGALKLTTEFVKRPGGQHGGDWSWRVTVEPQASGTSAIPLVSLFFYVVTDSNEVLIPEVGSKGQLKFISGHTSELGDFRFTLLPPTSPGDTAPKYGSYNVFWTSNPGLPLLTEMVKSRLNSWFQHRPPGASPERYLGLPGSLKWEDRGPSGQGQGQFLIQQVTLKVPFSIEFVFESGSAQAGGNQVLPRLAGSLLTHALESHAEAFRERFEKTFQLKEKGLSPGEQALGQAALSSLLGGIGYFYGQGLVLPDMGVEGSEQKVDPALFPPLPLFTAVPSRSFFPRGFLWDEGFHQLVVQRWDPSLTREALGHWLGLLNADGWIGREQILGDEARARVPPEFLVQRAVHANPPTLLLPVAHMLEVGDPDDLAFLRKAFPRLHAWFSWLHQSQAGPVPLSYRWRGRDPALPTLLNPKTLPSGLDDYPRASHPSVTERHLDLRCWVALGARVLTQLAEHLGEAEVAAELGPLAASLEAAESLDELHWAPELGVFADFGNHTKAVQLKPRPPQGLVRVVGRPQPRLQYVDALGYVSLFPLLLRLLDPNSSRLGPLLDILADSRHLWSPFGLRSLAASSSFYGQRNSEHDPPYWRGAVWLNVNYLALGALHHYGHLEGPHQARAAKLHSELRANVVGNVWRQYQATGFLWEQYSDRDGRGMGCRPFHGWTSLVLLAMAEDY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	30.6	Very low	250 Å²	250	189.6 Å²	189.6	100%	1.232	91%	0.914	S	S	*	*				0	128.2	0	-67.7	-164.5	-89.7	0	0	107.2
2	A	31.9	Very low	31.6	Very low	104 Å²	104	184.8 Å²	184.8	86%	0.86	91%	0.909	S	S	*	*			cis	-140.3	139.5	-0.8	0	0	0	0	0	107.6
3	R	29.2	Very low	31.6	Very low	250 Å²	250	176.6 Å²	176.6	94%	0.943	89%	0.889	S	S	*	*			trans	-84.8	141.8	175.3	-77.3	176	170.7	177.1	-2.9	109.4
4	G	28.7	Very low	31.6	Very low	84 Å²	84	178.4 Å²	178.4	87%	0.866	89%	0.893	S	S	*	*			trans	-119.8	105.5	166	0	0	0	0	0	110.4
5	E	32.4	Very low	31.4	Very low	183 Å²	183	171.7 Å²	171.7	86%	0.855	89%	0.887	S	S	*	*			trans	-77	140.6	172.3	-65.9	176.8	144.9	0	0	111.4
6	R	31.6	Very low	31.3	Very low	245 Å²	245	169.9 Å²	169.9	93%	0.925	89%	0.886	S	S	*	*			trans	-144	102.6	146.2	-79.7	-161.6	-179.7	-168.5	0.4	112.4
7	R	31.3	Very low	31.3	Very low	249 Å²	249	173.1 Å²	173.1	94%	0.94	88%	0.883	S	S	*	*			trans	38.7	122.5	135.7	-73.3	-176.5	174.4	-175.9	-2.2	121.8
8	R	29.7	Very low	31	Very low	248 Å²	248	170.4 Å²	170.4	94%	0.936	88%	0.877	S	S	*	*			trans	-44.6	146.9	156.7	-64.3	171	172.9	178.9	-3.4	115.3
9	R	28.9	Very low	31	Very low	254 Å²	254	168.1 Å²	168.1	96%	0.958	87%	0.871	S	S	*	*			trans	-141.3	142.9	139.6	-109.7	-177.4	-179.8	178	-0.3	110.2
10	A	29.5	Very low	30.9	Very low	98 Å²	98	169.5 Å²	169.5	81%	0.81	87%	0.873	S	S	*	*			trans	-84.1	156.1	-164.8	0	0	0	0	0	114
11	V	33.3	Very low	30.9	Very low	121 Å²	121	172.8 Å²	172.8	73%	0.733	88%	0.875	S	S	*	*			trans	-78.9	160.2	163.6	-178.4	0	0	0	0	108.7
12	P	41.8	Very low	31	Very low	131 Å²	131	166.1 Å²	166.1	85%	0.851	86%	0.859	S	S	*	*				-136	159.5	112	26.7	-8.6	0	0	0	113.9
13	A	31.7	Very low	31	Very low	79 Å²	79	165.4 Å²	165.4	65%	0.653	85%	0.854	S	S	*	*			trans	-96.5	170.1	-167.7	0	0	0	0	0	113.7
14	E	31.7	Very low	31.2	Very low	201 Å²	201	165.6 Å²	165.6	94%	0.939	85%	0.854	S	S	*	*			trans	77	132.7	151.3	-78.1	177.8	-171.9	0	0	121.5
15	G	29.1	Very low	31.2	Very low	78 Å²	78	165.6 Å²	165.6	80%	0.804	85%	0.854	S	S	*	*			trans	159.5	76.4	163.6	0	0	0	0	0	117.5
16	V	29.7	Very low	31.1	Very low	143 Å²	143	160.4 Å²	160.4	87%	0.867	85%	0.85	S	S	*	*			trans	-10.1	143.6	157.8	-178.2	0	0	0	0	121.2
17	R	30.6	Very low	32.1	Very low	224 Å²	224	155.4 Å²	155.4	85%	0.845	85%	0.849	S	S	*	*			trans	-27.2	146.4	161.7	-67.7	171.5	165.3	169.5	-4	117.3
18	T	27.1	Very low	32	Very low	126 Å²	126	146.7 Å²	146.7	77%	0.773	84%	0.837	S	S	*	*				175.4	138.5	94.8	34.5	0	0	0	0	113.8
19	V	31	Very low	32.1	Very low	125 Å²	125	145.8 Å²	145.8	76%	0.758	83%	0.834	S	S	*	*			trans	39.8	120	136.5	-170.9	0	0	0	0	119
20	E	29.1	Very low	32.2	Very low	197 Å²	197	143 Å²	143	92%	0.921	82%	0.823	S	S	*	*				-153.4	132.8	129.8	-124.9	173.5	179.7	0	0	114.6
21	R	30	Very low	32.4	Very low	238 Å²	238	145.3 Å²	145.3	90%	0.898	82%	0.822	S	S	*	*			trans	-78.8	135.7	173.7	-84	169	158.2	171.3	-6.1	108.9
22	A	32.6	Very low	32.4	Very low	110 Å²	110	142.8 Å²	142.8	91%	0.909	82%	0.82	S	S	*	*			trans	-115.3	127	157.1	0	0	0	0	0	109.2
23	A	32.4	Very low	32	Very low	90 Å²	90	149 Å²	149	74%	0.744	83%	0.827	S	S	*	*			trans	-130.1	161.9	174.6	0	0	0	0	0	110
24	R	32.3	Very low	32	Very low	254 Å²	254	149 Å²	149	96%	0.958	84%	0.835	S	S	*	*			trans	101.7	118.2	177.9	-60.7	174.1	-179.4	-167.2	1.1	112
25	G	29.6	Very low	32.1	Very low	84 Å²	84	143.9 Å²	143.9	87%	0.866	84%	0.835	S	S	*	*			cis	119.6	115.6	12.6	0	0	0	0	0	110
26	G	30.1	Very low	32.6	Very low	74 Å²	74	143 Å²	143	76%	0.763	83%	0.826	S	S	*	*			trans	171.8	147.6	170.8	0	0	0	0	0	113.7
27	P	53	Low	33.3	Very low	140 Å²	140	142.7 Å²	142.7	91%	0.909	83%	0.827	S	S	*	*				-121.1	166.3	-123.5	38.8	-28.1	0	0	0	115.6
28	G	29.5	Very low	33.9	Very low	66 Å²	66	144 Å²	144	68%	0.68	83%	0.832	S	S	*	*			trans	150.1	112.8	148.6	0	0	0	0	0	116.7
29	R	31	Very low	34.9	Very low	229 Å²	229	142.3 Å²	142.3	86%	0.864	83%	0.825	S	S	*	*			trans	47.9	133.3	134.8	-73.7	177.5	172	177.7	-2.7	117.6
30	R	32	Very low	36	Very low	196 Å²	196	142.6 Å²	142.6	74%	0.74	83%	0.827	S	S	*	*			cis	-179.4	156.2	40.5	-126.6	176	178	167.4	-2.4	107.2
31	D	32.2	Very low	37.1	Very low	146 Å²	146	136.2 Å²	136.2	78%	0.781	81%	0.808	S	S	*	*			trans	50.6	125.8	148.1	-47.9	-27.1	0	0	0	118.2
32	G	34.2	Very low	38.1	Very low	68 Å²	68	127.1 Å²	127.1	70%	0.701	79%	0.789	S	S	*	*			cis	154.1	165.7	20.2	0	0	0	0	0	106.9
33	R	33.8	Very low	39.1	Very low	261 Å²	261	124.3 Å²	124.3	99%	0.985	77%	0.77	S	S	*	*			trans	88.3	115.2	170.5	-56.4	-179.1	174.7	-175.9	-2.1	117.8
34	G	32.1	Very low	40.4	Very low	80 Å²	80	124.5 Å²	124.5	83%	0.825	76%	0.762	S	S	*	*			trans	114.1	57.7	135.1	0	0	0	0	0	117.5	G36	G34-G36 PolarHBondContact O-N 3.39Å
35	G	32	Very low	41.7	Very low	92 Å²	92	115 Å²	115	95%	0.948	74%	0.738	S	S	*	*			trans	-77.7	106.5	163.7	0	0	0	0	0	111.3
36	G	39.6	Very low	43.5	Very low	60 Å²	60	116.6 Å²	116.6	62%	0.619	73%	0.726	S	S	*	*			trans	-118.6	147.8	158	0	0	0	0	0	109.2	G34 R38	G34-G36 PolarHBondContact O-N 3.39Å; G36-R38 PolarHBondContact O-N 3.43Å
37	P	44.3	Very low	45.3	Very low	136 Å²	136	115.9 Å²	115.9	88%	0.883	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-71.2	121.1	-162.2	29	-33.4	0	0	0	111.5	S39	P37-S39 PolarHBondContact O-N 3.18Å
38	R	44	Very low	46.3	Very low	253 Å²	253	113 Å²	113	96%	0.955	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-74.2	122.8	169.2	-94.6	-178.1	170.3	162.8	-2.4	109.4	G36	G36-R38 PolarHBondContact O-N 3.43Å
39	S	49.3	Very low	48.5	Very low	89 Å²	89	113.7 Å²	113.7	62%	0.622	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-62	131.9	-172.6	56	0	0	0	0	113.4	P37 A41	P37-S39 PolarHBondContact O-N 3.18Å; S39-A41 PolarHBondContact O-N 3.34Å
40	T	53.7	Low	50.5	Low	131 Å²	131	107 Å²	107	80%	0.804	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-11.2	164.3	41.5	0	0	0	0	113.1	G42	T40-G42 PolarHBondContact O-N 3.16Å
41	A	52.6	Low	52.4	Low	63 Å²	63	102.9 Å²	102.9	52%	0.521	66%	0.66	S	S	.	*	H	α-helix	trans	-66.3	-31.7	179.4	0	0	0	0	0	114	S39 A45	S39-A41 PolarHBondContact O-N 3.34Å; A41-A45 WeakPolarHBondContact O-CB 3.5Å; A41-A45 PolarHBondContact O-N 3.04Å
42	G	50.3	Low	53.9	Low	47 Å²	47	99.2 Å²	99.2	49%	0.485	65%	0.646	S	S	.	*	H	α-helix	trans	-70.5	-35.2	-177.7	0	0	0	0	0	114.1	T40 L46	T40-G42 PolarHBondContact O-N 3.16Å; G42-L46 WeakPolarHBondContact O-CB 3.26Å; G42-L46 PolarHBondContact O-N 2.85Å; G42-L46 VanDerWaalsContact O-N 3.17Å
43	G	53.2	Low	55.5	Low	51 Å²	51	101 Å²	101	53%	0.526	64%	0.639	S	S	.	*	H	α-helix	trans	-74.5	-36.2	177.4	0	0	0	0	0	113	A47	G43-A47 WeakPolarHBondContact O-CB 3.18Å; G43-A47 PolarHBondContact O-N 3.06Å
44	V	59.3	Low	56.9	Low	94 Å²	94	90.8 Å²	90.8	57%	0.57	61%	0.61	S	S	*	*	H	α-helix	trans	-69.6	-42.5	175.3	177.9	0	0	0	0	110.8	L46 A47 V48	V44-L46 PolarHBondContact O-N 3.25Å; V44-A47 PolarHBondContact O-N 3.45Å; V44-V48 HydrophobicContact CG1-CG2 4.35Å; V44-V48 WeakPolarHBondContact O-CB 3.43Å; V44-V48 VanDerWaalsContact O-CG2 3.26Å; V44-V48 WeakPolarHBondContact O-CG2 3.32Å; V44-V48 PolarHBondContact O-N 3.22Å
45	A	60.5	Low	58.5	Low	56 Å²	56	92.1 Å²	92.1	46%	0.463	60%	0.598	S	S	.	*	H	α-helix	trans	-61.4	-42.6	175.6	0	0	0	0	0	112.1	A41 V48 V49	A41-A45 WeakPolarHBondContact O-CB 3.5Å; A41-A45 PolarHBondContact O-N 3.04Å; A45-V48 PolarHBondContact O-N 3.4Å; A45-V49 VanDerWaalsContact O-CG2 3.27Å; A45-V49 WeakPolarHBondContact O-CG2 3.35Å; A45-V49 PolarHBondContact O-N 2.95Å
46	L	65.9	Low	60	Low	117 Å²	117	89.5 Å²	89.5	61%	0.613	57%	0.571	S	S	*	*	H	α-helix	trans	-65.8	-41.8	176.2	-172.2	67.3	0	0	0	112	G42 V44 V49 V50	G42-L46 WeakPolarHBondContact O-CB 3.26Å; G42-L46 PolarHBondContact O-N 2.85Å; G42-L46 VanDerWaalsContact O-N 3.17Å; V44-L46 PolarHBondContact O-N 3.25Å; L46-V49 PolarHBondContact O-N 2.97Å; L46-V50 WeakPolarHBondContact O-CB 3.46Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.36Å; L46-V50 PolarHBondContact O-N 2.91Å
47	A	69.2	Low	61.2	Low	59 Å²	59	92.9 Å²	92.9	49%	0.488	57%	0.573	S	S	.	*	H	α-helix	trans	-64.6	-39.9	176.5	0	0	0	0	0	112.3	G43 V44 V50 L51	G43-A47 WeakPolarHBondContact O-CB 3.18Å; G43-A47 PolarHBondContact O-N 3.06Å; V44-A47 PolarHBondContact O-N 3.45Å; A47-V50 PolarHBondContact O-N 3.3Å; A47-L51 VanDerWaalsContact O-CB 3.22Å; A47-L51 WeakPolarHBondContact O-CB 3.41Å; A47-L51 PolarHBondContact O-N 3.44Å
48	V	72.9	Confident	62.4	Low	79 Å²	79	89 Å²	89	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-64.6	-42.5	174.9	170.7	0	0	0	0	110.5	V44 A45 L51 S52	V44-V48 HydrophobicContact CG1-CG2 4.35Å; V44-V48 WeakPolarHBondContact O-CB 3.43Å; V44-V48 VanDerWaalsContact O-CG2 3.26Å; V44-V48 WeakPolarHBondContact O-CG2 3.32Å; V44-V48 PolarHBondContact O-N 3.22Å; A45-V48 PolarHBondContact O-N 3.4Å; V48-L51 PolarHBondContact O-N 2.98Å; V48-S52 VanDerWaalsContact O-CB 3.23Å; V48-S52 WeakPolarHBondContact O-CB 3.27Å; V48-S52 PolarHBondContact O-N 3.33Å; V48-S52 PolarHBondContact O-OG 3.46Å
49	V	75.4	Confident	63.9	Low	80 Å²	80	78.5 Å²	78.5	49%	0.485	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-45.3	176.1	169.8	0	0	0	0	111.5	A45 L46 S52 L53	A45-V49 VanDerWaalsContact O-CG2 3.27Å; A45-V49 WeakPolarHBondContact O-CG2 3.35Å; A45-V49 PolarHBondContact O-N 2.95Å; L46-V49 PolarHBondContact O-N 2.97Å; V49-S52 PolarHBondContact O-N 3.03Å; V49-L53 HydrophobicContact CG1-CD1 3.79Å; V49-L53 HydrophobicContact CG1-CG 4.39Å; V49-L53 WeakPolarHBondContact O-CB 3.47Å; V49-L53 VanDerWaalsContact O-CG 3.22Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 3.46Å
50	V	74.8	Confident	65.1	Low	88 Å²	88	83.7 Å²	83.7	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-42.3	177.2	171.7	0	0	0	0	111.3	L46 A47 L53 A54	L46-V50 WeakPolarHBondContact O-CB 3.46Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.36Å; L46-V50 PolarHBondContact O-N 2.91Å; A47-V50 PolarHBondContact O-N 3.3Å; V50-L53 PolarHBondContact O-N 2.88Å; V50-A54 VanDerWaalsContact O-CB 3.27Å; V50-A54 WeakPolarHBondContact O-CB 3.28Å; V50-A54 PolarHBondContact O-N 2.99Å
51	L	71.1	Confident	66.3	Low	110 Å²	110	85.7 Å²	85.7	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-66.4	-39.8	177	-168.8	72.7	0	0	0	111.5	A47 V48 A54 L55	A47-L51 VanDerWaalsContact O-CB 3.22Å; A47-L51 WeakPolarHBondContact O-CB 3.41Å; A47-L51 PolarHBondContact O-N 3.44Å; V48-L51 PolarHBondContact O-N 2.98Å; L51-A54 PolarHBondContact O-N 3.46Å; L51-L55 HydrophobicContact CD2-CD1 4.46Å; L51-L55 HydrophobicContact CG-CD1 3.99Å; L51-L55 VanDerWaalsContact O-CB 3.27Å; L51-L55 WeakPolarHBondContact O-CB 3.23Å; L51-L55 VanDerWaalsContact O-CG 3.24Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.49Å
52	S	64.2	Low	67.8	Low	69 Å²	69	85.8 Å²	85.8	48%	0.483	51%	0.512	S	S	.	.	H	α-helix	trans	-68	-38.4	177.2	-56.5	0	0	0	0	111.6	V48 V49 G56	V48-S52 VanDerWaalsContact O-CB 3.23Å; V48-S52 WeakPolarHBondContact O-CB 3.27Å; V48-S52 PolarHBondContact O-N 3.33Å; V48-S52 PolarHBondContact O-OG 3.46Å; V49-S52 PolarHBondContact O-N 3.03Å; S52-G56 PolarHBondContact O-N 2.88Å
53	L	66.5	Low	69.3	Low	105 Å²	105	88.6 Å²	88.6	55%	0.55	52%	0.515	S	S	.	.	H	α-helix	trans	-67.3	-42.1	172.3	-74.4	168.7	0	0	0	111.5	V49 V50 G56 M57	V49-L53 HydrophobicContact CG1-CD1 3.79Å; V49-L53 HydrophobicContact CG1-CG 4.39Å; V49-L53 WeakPolarHBondContact O-CB 3.47Å; V49-L53 VanDerWaalsContact O-CG 3.22Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 3.46Å; V50-L53 PolarHBondContact O-N 2.88Å; L53-G56 PolarHBondContact O-N 2.92Å; L53-M57 VanDerWaalsContact O-CB 3.32Å; L53-M57 WeakPolarHBondContact O-CB 3.29Å; L53-M57 VanDerWaalsContact O-CG 3.24Å; L53-M57 WeakPolarHBondContact O-CG 3.28Å; L53-M57 PolarHBondContact O-N 3.04Å
54	A	63.5	Low	70.7	Confident	47 Å²	47	87.4 Å²	87.4	39%	0.388	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-44.1	176.2	0	0	0	0	0	111.7	V50 L51 M57 S58	V50-A54 VanDerWaalsContact O-CB 3.27Å; V50-A54 WeakPolarHBondContact O-CB 3.28Å; V50-A54 PolarHBondContact O-N 2.99Å; L51-A54 PolarHBondContact O-N 3.46Å; A54-M57 PolarHBondContact O-N 3.29Å; A54-S58 WeakPolarHBondContact O-CB 3.49Å; A54-S58 PolarHBondContact O-N 3.3Å; A54-S58 PolarHBondContact O-OG 3.44Å
55	L	65.3	Low	71.8	Confident	108 Å²	108	88.5 Å²	88.5	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-66.3	-38.8	174.9	-75	166	0	0	0	112.2	L51 S58 G59	L51-L55 HydrophobicContact CD2-CD1 4.46Å; L51-L55 HydrophobicContact CG-CD1 3.99Å; L51-L55 VanDerWaalsContact O-CB 3.27Å; L51-L55 WeakPolarHBondContact O-CB 3.23Å; L51-L55 VanDerWaalsContact O-CG 3.24Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.49Å; L55-S58 VanDerWaalsContact CA-OG 3.31Å; L55-S58 WeakPolarHBondContact CA-OG 3.38Å; L55-S58 PolarHBondContact O-OG 2.87Å; L55-G59 PolarHBondContact O-N 2.86Å
56	G	64.4	Low	73.1	Confident	38 Å²	38	90.2 Å²	90.2	39%	0.392	49%	0.493	S	S	.	.	H	α-helix	trans	-67.4	-40.5	175	0	0	0	0	0	112.4	S52 L53 R60	S52-G56 PolarHBondContact O-N 2.88Å; L53-G56 PolarHBondContact O-N 2.92Å; G56-R60 WeakPolarHBondContact O-CB 3.43Å; G56-R60 WeakPolarHBondContact O-CG 3.36Å; G56-R60 PolarHBondContact O-N 3.15Å
57	M	65	Low	74.1	Confident	131 Å²	131	90 Å²	90	65%	0.645	48%	0.483	S	S	*	.	H	α-helix	trans	-68.9	-41.3	173.9	-73.3	-168.1	-57.7	0	0	111.8	L53 A54 R60 W61	L53-M57 VanDerWaalsContact O-CB 3.32Å; L53-M57 WeakPolarHBondContact O-CB 3.29Å; L53-M57 VanDerWaalsContact O-CG 3.24Å; L53-M57 WeakPolarHBondContact O-CG 3.28Å; L53-M57 PolarHBondContact O-N 3.04Å; A54-M57 PolarHBondContact O-N 3.29Å; M57-R60 PolarHBondContact O-N 2.69Å; M57-W61 WeakPolarHBondContact O-CB 3.48Å; M57-W61 PolarHBondContact O-N 3.26Å
58	S	69.6	Low	74.9	Confident	55 Å²	55	88.5 Å²	88.5	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-40.9	176.1	66.9	0	0	0	0	111.5	A54 L55 W61 V62	A54-S58 WeakPolarHBondContact O-CB 3.49Å; A54-S58 PolarHBondContact O-N 3.3Å; A54-S58 PolarHBondContact O-OG 3.44Å; L55-S58 VanDerWaalsContact CA-OG 3.31Å; L55-S58 WeakPolarHBondContact CA-OG 3.38Å; L55-S58 PolarHBondContact O-OG 2.87Å; S58-W61 PolarHBondContact O-N 3.14Å; S58-V62 WeakPolarHBondContact O-CB 3.37Å; S58-V62 WeakPolarHBondContact O-CG2 3.47Å; S58-V62 PolarHBondContact O-N 3.43Å
59	G	74.2	Confident	75.8	Confident	32 Å²	32	91.3 Å²	91.3	33%	0.33	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-43.7	175.7	0	0	0	0	0	112.8	L55 V62 L63	L55-G59 PolarHBondContact O-N 2.86Å; G59-V62 PolarHBondContact O-N 3Å; G59-L63 WeakPolarHBondContact O-CG 3.22Å; G59-L63 PolarHBondContact O-N 3.35Å
60	R	74.7	Confident	76.7	Confident	198 Å²	198	93.9 Å²	93.9	75%	0.747	47%	0.474	S	S	*	.	H	α-helix	trans	-63.5	-41.2	174.2	-74.5	-179.4	116.8	-178.5	2.7	112.2	G56 M57 A64	G56-R60 WeakPolarHBondContact O-CB 3.43Å; G56-R60 WeakPolarHBondContact O-CG 3.36Å; G56-R60 PolarHBondContact O-N 3.15Å; M57-R60 PolarHBondContact O-N 2.69Å; R60-A64 VanDerWaalsContact O-CB 3.23Å; R60-A64 WeakPolarHBondContact O-CB 3.28Å; R60-A64 PolarHBondContact O-N 2.71Å
61	W	79.6	Confident	77.5	Confident	173 Å²	173	89.7 Å²	89.7	66%	0.655	45%	0.449	S	S	*	.	H	α-helix	trans	-66.2	-42	177	-176.2	84.3	0	0	0	112.1	M57 S58 A64 W65	M57-W61 WeakPolarHBondContact O-CB 3.48Å; M57-W61 PolarHBondContact O-N 3.26Å; S58-W61 PolarHBondContact O-N 3.14Å; W61-A64 PolarHBondContact O-N 2.99Å; W61-W65 VanDerWaalsContact O-CB 3.32Å; W61-W65 WeakPolarHBondContact O-CB 3.27Å; W61-W65 PolarHBondContact O-N 2.99Å
62	V	83.5	Confident	78.6	Confident	65 Å²	65	86.2 Å²	86.2	39%	0.394	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-45.9	175.7	167.8	0	0	0	0	111	S58 G59 W65 H66	S58-V62 WeakPolarHBondContact O-CB 3.37Å; S58-V62 WeakPolarHBondContact O-CG2 3.47Å; S58-V62 PolarHBondContact O-N 3.43Å; G59-V62 PolarHBondContact O-N 3Å; V62-W65 PolarHBondContact O-N 3.34Å; V62-H66 WeakPolarHBondContact O-CB 3.49Å; V62-H66 PolarHBondContact O-CD2 3.49Å; V62-H66 VanDerWaalsContact O-CD2 3.23Å; V62-H66 PolarHBondContact O-N 2.97Å
63	L	83.4	Confident	80.2	Confident	105 Å²	105	85.7 Å²	85.7	55%	0.55	43%	0.427	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176	-72.4	170.5	0	0	0	112.3	G59 H66 R67	G59-L63 WeakPolarHBondContact O-CG 3.22Å; G59-L63 PolarHBondContact O-N 3.35Å; L63-H66 PolarHBondContact O-N 3.36Å; L63-R67 WeakPolarHBondContact O-CG 3.23Å; L63-R67 PolarHBondContact O-N 3.03Å
64	A	80.9	Confident	81.6	Confident	26 Å²	26	83.8 Å²	83.8	22%	0.215	42%	0.417	C	S	.	.	H	α-helix	trans	-61.3	-44.3	176.4	0	0	0	0	0	111.8	R60 W61 R67 A68 M415	R60-A64 VanDerWaalsContact O-CB 3.23Å; R60-A64 WeakPolarHBondContact O-CB 3.28Å; R60-A64 PolarHBondContact O-N 2.71Å; W61-A64 PolarHBondContact O-N 2.99Å; A64-R67 PolarHBondContact O-N 3.34Å; A64-A68 WeakPolarHBondContact O-CB 3.31Å; A64-A68 PolarHBondContact O-N 3.32Å; A64-M415 HydrophobicContact CB-CE 3.61Å
65	W	83.4	Confident	83.3	Confident	118 Å²	118	83.1 Å²	83.1	45%	0.447	41%	0.405	S	S	.	.	H	α-helix	trans	-63.5	-44.3	175.9	-179	85.5	0	0	0	111.8	W61 V62 A68 R69	W61-W65 VanDerWaalsContact O-CB 3.32Å; W61-W65 WeakPolarHBondContact O-CB 3.27Å; W61-W65 PolarHBondContact O-N 2.99Å; V62-W65 PolarHBondContact O-N 3.34Å; W65-A68 PolarHBondContact O-N 3.32Å; W65-R69 VanDerWaalsContact O-CB 3.27Å; W65-R69 WeakPolarHBondContact O-CB 3.24Å; W65-R69 PolarHBondContact O-N 2.89Å
66	H	88.1	Confident	84.8	Confident	92 Å²	92	83.5 Å²	83.5	43%	0.426	42%	0.417	S	S	.	.	H	α-helix	trans	-61.3	-45.1	175.7	-88.4	-68.8	0	0	0	112.3	V62 L63 R69 R70	V62-H66 WeakPolarHBondContact O-CB 3.49Å; V62-H66 PolarHBondContact O-CD2 3.49Å; V62-H66 VanDerWaalsContact O-CD2 3.23Å; V62-H66 PolarHBondContact O-N 2.97Å; L63-H66 PolarHBondContact O-N 3.36Å; H66-R69 PolarHBondContact O-N 3.02Å; H66-R70 WeakPolarHBondContact O-CG 3.22Å; H66-R70 PolarHBondContact O-N 2.94Å
67	R	86.4	Confident	86.4	Confident	111 Å²	111	82.4 Å²	82.4	42%	0.419	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-51.4	175.8	-75.4	-179.8	-177.6	165.8	-2.1	111.7	L63 A64 R69 R70 A71 M415	L63-R67 WeakPolarHBondContact O-CG 3.23Å; L63-R67 PolarHBondContact O-N 3.03Å; A64-R67 PolarHBondContact O-N 3.34Å; R67-R69 VanDerWaalsContact C-N 3.29Å; R67-R69 PolarHBondContact O-N 3.17Å; R67-R70 PolarHBondContact O-N 3.44Å; R67-A71 WeakPolarHBondContact O-CB 3.32Å; R67-A71 PolarHBondContact O-N 3.01Å; R67-M415 PolarHBondContact NH1-O 3.41Å
68	A	86.3	Confident	87.9	Confident	29 Å²	29	80.5 Å²	80.5	24%	0.24	40%	0.401	C	S	.	.	H	α-helix	trans	-59.2	-41.8	179.2	0	0	0	0	0	111.9	A64 W65 A71 P413 M415	A64-A68 WeakPolarHBondContact O-CB 3.31Å; A64-A68 PolarHBondContact O-N 3.32Å; W65-A68 PolarHBondContact O-N 3.32Å; A68-A71 PolarHBondContact O-N 3.33Å; A68-P413 HydrophobicContact CB-CB 4.49Å; A68-M415 HydrophobicContact CB-SD 4.28Å
69	R	91	Very high	89	Confident	138 Å²	138	82 Å²	82	52%	0.521	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-48.7	176.9	-178.1	179.3	175.3	-169.3	-0.3	111.9	W65 H66 R67 A71 V72 T73	W65-R69 VanDerWaalsContact O-CB 3.27Å; W65-R69 WeakPolarHBondContact O-CB 3.24Å; W65-R69 PolarHBondContact O-N 2.89Å; H66-R69 PolarHBondContact O-N 3.02Å; R67-R69 VanDerWaalsContact C-N 3.29Å; R67-R69 PolarHBondContact O-N 3.17Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 3.43Å; R69-V72 PolarHBondContact O-N 2.85Å; R69-T73 WeakPolarHBondContact O-CB 3.27Å; R69-T73 PolarHBondContact O-N 2.82Å; R69-T73 VanDerWaalsContact O-N 3.14Å; R69-T73 PolarHBondContact O-OG1 3.43Å
70	R	94.4	Very high	90.1	Very high	133 Å²	133	80.9 Å²	80.9	50%	0.502	40%	0.397	S	S	.	.	H	α-helix	trans	-62.8	-38.1	179.9	-68.4	-165.1	-26.4	-168.3	13.1	111.8	H66 R67 V72 T73 A480 D481	H66-R70 WeakPolarHBondContact O-CG 3.22Å; H66-R70 PolarHBondContact O-N 2.94Å; R67-R70 PolarHBondContact O-N 3.44Å; R70-V72 PolarHBondContact O-N 2.85Å; R70-V72 VanDerWaalsContact O-N 3.13Å; R70-T73 PolarHBondContact O-N 2.65Å; R70-T73 VanDerWaalsContact O-N 3.15Å; R70-A480 HydrophobicContact CB-CB 4.02Å; R70-A480 HydrophobicContact CG-CB 4.31Å; R70-A480 PolarHBondContact O-N 3.35Å; R70-D481 WeakPolarHBondContact CB-OD1 3.48Å; R70-D481 IonicContact CZ-OD1 3.75Å; R70-D481 IonicContact NE-OD1 3.15Å; R70-D481 PolarHBondContact NE-OD1 3.38Å; R70-D481 IonicContact NH2-OD1 2.83Å; R70-D481 PolarHBondContact NH2-OD1 3.06Å
71	A	92.6	Very high	91.1	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-59	-28.1	-179.8	0	0	0	0	0	113.9	R67 A68 R69 P413 N479 D481	R67-A71 WeakPolarHBondContact O-CB 3.32Å; R67-A71 PolarHBondContact O-N 3.01Å; A68-A71 PolarHBondContact O-N 3.33Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 3.43Å; A71-P413 HydrophobicContact CB-CB 3.75Å; A71-P413 HydrophobicContact CB-CG 4.25Å; A71-N479 WeakPolarHBondContact CA-ND2 3.37Å; A71-N479 WeakPolarHBondContact O-CB 3.38Å; A71-N479 PolarHBondContact O-ND2 2.83Å; A71-D481 PolarHBondContact N-OD2 2.99Å
72	V	93.9	Very high	91.5	Very high	37 Å²	37	67.8 Å²	67.8	22%	0.224	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	13.2	179.9	-57.4	0	0	0	0	114	R69 R70 V411 A427 F429 P430	R69-V72 PolarHBondContact O-N 2.85Å; R70-V72 PolarHBondContact O-N 2.85Å; R70-V72 VanDerWaalsContact O-N 3.13Å; V72-V411 HydrophobicContact CG1-CB 4.47Å; V72-A427 HydrophobicContact CG1-CB 3.94Å; V72-F429 HydrophobicContact CB-CD2 4.41Å; V72-P430 VanDerWaalsContact O-CD 3.3Å; V72-P430 WeakPolarHBondContact O-CD 3.29Å
73	T	97	Very high	91.7	Very high	58 Å²	58	70.1 Å²	70.1	36%	0.356	38%	0.384	S	S	.	.	S	Bend	trans	-104.6	140.4	174.1	-59.5	0	0	0	0	108.9	R69 R70 N479 A480	R69-T73 WeakPolarHBondContact O-CB 3.27Å; R69-T73 PolarHBondContact O-N 2.82Å; R69-T73 VanDerWaalsContact O-N 3.14Å; R69-T73 PolarHBondContact O-OG1 3.43Å; R70-T73 PolarHBondContact O-N 2.65Å; R70-T73 VanDerWaalsContact O-N 3.15Å; T73-N479 CarbonylContact O-C 3.29Å; T73-N479 VanDerWaalsContact O-C 3.29Å; T73-N479 WeakPolarHBondContact O-CA 3.22Å; T73-N479 WeakPolarHBondContact O-CB 3.38Å; T73-A480 HydrophobicContact CG2-CB 4.49Å; T73-A480 PolarHBondContact O-N 3.2Å
74	L	97.7	Very high	92.2	Very high	65 Å²	65	69.4 Å²	69.4	34%	0.34	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-63.1	149	173.4	-69.8	175.7	0	0	0	112.1	S76 F429 P430 L432	L74-S76 PolarHBondContact O-N 3.34Å; L74-F429 HydrophobicContact CD2-CE1 3.8Å; L74-F429 HydrophobicContact CD2-CZ 3.9Å; L74-P430 HydrophobicContact CD1-CB 4.41Å; L74-P430 HydrophobicContact CG-CB 4.32Å; L74-P430 HydrophobicContact CG-CG 4.25Å; L74-L432 HydrophobicContact CD1-CD2 3.94Å; L74-L432 HydrophobicContact CD2-CD1 3.52Å; L74-L432 HydrophobicContact CD2-CD2 4.01Å; L74-L432 HydrophobicContact CD2-CG 4.27Å
75	H	98.1	Very high	92.9	Very high	32 Å²	32	68.6 Å²	68.6	15%	0.148	37%	0.374	C	S	.	.			trans	-61.1	136.5	175.1	-161.6	-89.3	0	0	0	111.7	A77 L478 N479 R540 A543	H75-A77 WeakPolarHBondContact ND1-CB 3.42Å; H75-A77 PolarHBondContact ND1-N 2.82Å; H75-A77 VanDerWaalsContact ND1-N 3.16Å; H75-L478 HydrophobicContact CB-CB 3.71Å; H75-L478 PolarHBondContact N-O 2.95Å; H75-N479 WeakPolarHBondContact CB-O 3.29Å; H75-N479 PolarHBondContact CD2-O 2.81Å; H75-R540 PolarHBondContact O-NH2 2.95Å; H75-R540 VanDerWaalsContact O-NH2 3.17Å; H75-A543 WeakPolarHBondContact NE2-CB 3.33Å
76	S	97.3	Very high	93.5	Very high	117 Å²	117	63.5 Å²	63.5	82%	0.818	36%	0.356	S	S	*	.			trans	-79.1	-15.8	-173.2	52.7	0	0	0	0	114.7	L74	L74-S76 PolarHBondContact O-N 3.34Å
77	A	97.5	Very high	94	Very high	14 Å²	14	60.5 Å²	60.5	12%	0.116	35%	0.345	C	S	.	.	S	Bend	trans	-56.7	151.7	174.2	0	0	0	0	0	111.6	H75 P539 R540	H75-A77 WeakPolarHBondContact ND1-CB 3.42Å; H75-A77 PolarHBondContact ND1-N 2.82Å; H75-A77 VanDerWaalsContact ND1-N 3.16Å; A77-P539 HydrophobicContact CB-CB 4.05Å; A77-R540 HydrophobicContact CB-CG 4.04Å; A77-R540 PolarHBondContact O-NH2 3.28Å
78	P	96.8	Very high	94.4	Very high	91 Å²	91	56.1 Å²	56.1	59%	0.591	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-49.8	141.1	176.8	-27.4	35.3	0	0	0	112.2	R540	P78-R540 PolarHBondContact O-NE 2.88Å
79	P	93.4	Very high	94.9	Very high	87 Å²	87	59.1 Å²	59.1	57%	0.565	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-67.8	142.7	176.3	32	-36.2	0	0	0	110	L81	P79-L81 WeakPolarHBondContact CB-O 3.44Å
80	V	95.9	Very high	95.2	Very high	8 Å²	8	56.3 Å²	56.3	5%	0.048	35%	0.354	C	S	.	.	S	Bend	trans	-70	-41.2	179.3	-169.2	0	0	0	0	110.7	L475 F533 A537	V80-L475 HydrophobicContact CG2-CB 3.89Å; V80-L475 HydrophobicContact CG2-CD1 4Å; V80-F533 HydrophobicContact CG1-CD2 3.74Å; V80-F533 HydrophobicContact CG1-CE2 3.26Å; V80-F533 HydrophobicContact CG1-CZ 3.8Å; V80-A537 HydrophobicContact CG1-CB 3.86Å; V80-A537 HydrophobicContact CG2-CB 4.17Å
81	L	96	Very high	95.3	Very high	28 Å²	28	50.7 Å²	50.7	15%	0.147	34%	0.336	C	S	.	.	S	Bend	trans	-104	142.9	175.3	-59.8	176.4	0	0	0	109.8	P79 H473	P79-L81 WeakPolarHBondContact CB-O 3.44Å; L81-H473 VanDerWaalsContact CD1-CE1 3.48Å; L81-H473 WeakPolarHBondContact CD1-CE1 3.31Å; L81-H473 WeakPolarHBondContact CD1-ND1 3.32Å
82	P	88.9	Confident	95.5	Very high	68 Å²	68	53.3 Å²	53.3	44%	0.442	35%	0.353	S	S	.	.			trans	-64.6	156.9	171.5	30.3	-35.4	0	0	0	110.8	D84 S85	P82-D84 WeakPolarHBondContact CB-OD1 3.44Å; P82-D84 PolarHBondContact O-N 2.85Å; P82-S85 VanDerWaalsContact O-CB 3.29Å; P82-S85 WeakPolarHBondContact O-CB 3.37Å; P82-S85 PolarHBondContact O-N 3.11Å; P82-S85 PolarHBondContact O-OG 3.15Å
83	A	87.2	Confident	95.6	Very high	114 Å²	114	56 Å²	56	94%	0.942	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.7	-175.8	0	0	0	0	0	113.3
84	D	92.9	Very high	95.6	Very high	91 Å²	91	53.9 Å²	53.9	49%	0.487	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	18.3	178.7	63.8	-29.3	0	0	0	113	P82 S86 S87	P82-D84 WeakPolarHBondContact CB-OD1 3.44Å; P82-D84 PolarHBondContact O-N 2.85Å; D84-S86 PolarHBondContact O-N 3.3Å; D84-S86 VanDerWaalsContact O-N 3.09Å; D84-S87 WeakPolarHBondContact O-CB 3.33Å; D84-S87 PolarHBondContact O-N 3.06Å; D84-S87 PolarHBondContact O-OG 3.24Å
85	S	95.8	Very high	95.7	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.063	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30	-179	65.6	0	0	0	0	113.9	P82 A91	P82-S85 VanDerWaalsContact O-CB 3.29Å; P82-S85 WeakPolarHBondContact O-CB 3.37Å; P82-S85 PolarHBondContact O-N 3.11Å; P82-S85 PolarHBondContact O-OG 3.15Å; S85-A91 VanDerWaalsContact O-CB 3.29Å; S85-A91 WeakPolarHBondContact O-CB 3.44Å
86	S	97.3	Very high	95.7	Very high	11 Å²	11	49.3 Å²	49.3	8%	0.077	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.1	178.6	-64.5	0	0	0	0	114	D84 F95 R110	D84-S86 PolarHBondContact O-N 3.3Å; D84-S86 VanDerWaalsContact O-N 3.09Å; S86-F95 WeakPolarHBondContact O-CD2 3.38Å; S86-R110 WeakPolarHBondContact CB-O 3.33Å
87	S	97.4	Very high	95.8	Very high	28 Å²	28	44 Å²	44	20%	0.196	29%	0.293	C	S	.	.	S	Bend	trans	-66.3	150.1	178.6	73.1	0	0	0	0	111.3	D84 A89 V90 A91	D84-S87 WeakPolarHBondContact O-CB 3.33Å; D84-S87 PolarHBondContact O-N 3.06Å; D84-S87 PolarHBondContact O-OG 3.24Å; S87-A89 PolarHBondContact O-N 3.17Å; S87-V90 PolarHBondContact O-N 2.87Å; S87-V90 VanDerWaalsContact O-N 3.13Å; S87-V90 WeakPolarHBondContact OG-CG2 3.42Å; S87-V90 PolarHBondContact OG-N 3.24Å; S87-A91 PolarHBondContact O-N 2.84Å
88	P	96.1	Very high	95.8	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.123	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.9	178.1	26.5	-34.1	0	0	0	113.3	P92 F95	P88-P92 WeakPolarHBondContact O-CA 3.37Å; P88-P92 VanDerWaalsContact O-CB 3.3Å; P88-P92 WeakPolarHBondContact O-CB 3.3Å; P88-P92 WeakPolarHBondContact O-CD 3.3Å; P88-F95 HydrophobicContact CB-CB 4.28Å; P88-F95 HydrophobicContact CB-CD1 3.93Å; P88-F95 HydrophobicContact CB-CD2 4.35Å; P88-F95 HydrophobicContact CB-CE1 4.3Å; P88-F95 HydrophobicContact CB-CG 3.94Å; P88-F95 HydrophobicContact CG-CD1 4.35Å; P88-F95 HydrophobicContact CG-CE1 4.23Å; P88-F95 HydrophobicContact CG-CE2 4.47Å; P88-F95 HydrophobicContact CG-CG 4.49Å; P88-F95 HydrophobicContact CG-CZ 4.31Å
89	A	96.1	Very high	95.9	Very high	92 Å²	92	39.9 Å²	39.9	76%	0.76	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-32.9	174.4	0	0	0	0	0	112.6	S87	S87-A89 PolarHBondContact O-N 3.17Å
90	V	96.3	Very high	96.2	Very high	79 Å²	79	36.2 Å²	36.2	48%	0.479	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-43.5	-178.1	176.8	0	0	0	0	111.5	S87	S87-V90 PolarHBondContact O-N 2.87Å; S87-V90 VanDerWaalsContact O-N 3.13Å; S87-V90 WeakPolarHBondContact OG-CG2 3.42Å; S87-V90 PolarHBondContact OG-N 3.24Å
91	A	96.8	Very high	96.3	Very high	16 Å²	16	36 Å²	36	13%	0.132	24%	0.238	C	C	.	.			trans	-133.3	64.6	-175.5	0	0	0	0	0	111.7	S85 S87 D93 L94 F95	S85-A91 VanDerWaalsContact O-CB 3.29Å; S85-A91 WeakPolarHBondContact O-CB 3.44Å; S87-A91 PolarHBondContact O-N 2.84Å; A91-D93 VanDerWaalsContact C-N 3.31Å; A91-D93 PolarHBondContact O-N 2.86Å; A91-L94 HydrophobicContact CB-CB 4.48Å; A91-L94 PolarHBondContact O-N 3.37Å; A91-F95 PolarHBondContact O-N 2.91Å
92	P	96.8	Very high	96.4	Very high	55 Å²	55	35.7 Å²	35.7	36%	0.357	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-57.3	-41.9	-175.7	20.8	-31.9	0	0	0	112.7	P88 L94 F95	P88-P92 WeakPolarHBondContact O-CA 3.37Å; P88-P92 VanDerWaalsContact O-CB 3.3Å; P88-P92 WeakPolarHBondContact O-CB 3.3Å; P88-P92 WeakPolarHBondContact O-CD 3.3Å; P92-L94 PolarHBondContact O-N 3.28Å; P92-F95 PolarHBondContact O-N 2.95Å
93	D	96.5	Very high	96.8	Very high	93 Å²	93	32.6 Å²	32.6	50%	0.497	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-68.3	-23	-175.2	-62.9	-38	0	0	0	113.1	A91 K174	A91-D93 VanDerWaalsContact C-N 3.31Å; A91-D93 PolarHBondContact O-N 2.86Å; D93-K174 PolarHBondContact O-NZ 3.18Å
94	L	98	Very high	97.4	Very high	14 Å²	14	27.2 Å²	27.2	7%	0.073	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-103.2	-0.1	178.8	-69	173.9	0	0	0	112.8	A91 P92 W96 Y99 R110 L154 L466 E469	A91-L94 HydrophobicContact CB-CB 4.48Å; A91-L94 PolarHBondContact O-N 3.37Å; P92-L94 PolarHBondContact O-N 3.28Å; L94-W96 PolarHBondContact O-N 2.63Å; L94-Y99 WeakPolarHBondContact O-CE2 3.34Å; L94-Y99 PolarHBondContact O-OH 3.43Å; L94-Y99 VanDerWaalsContact O-OH 3.1Å; L94-R110 VanDerWaalsContact CB-NH2 3.28Å; L94-R110 VanDerWaalsContact O-CD 3.24Å; L94-R110 WeakPolarHBondContact O-CD 3.45Å; L94-R110 WeakPolarHBondContact O-CG 3.5Å; L94-R110 PolarHBondContact O-NE 2.97Å; L94-L154 HydrophobicContact CD2-CD2 3.32Å; L94-L154 HydrophobicContact CG-CD2 4.09Å; L94-L466 HydrophobicContact CD1-CD2 4.25Å; L94-L466 HydrophobicContact CD2-CD2 3.59Å; L94-E469 HydrophobicContact CD1-CG 4.17Å
95	F	98.5	Very high	97.7	Very high	1 Å²	1	23 Å²	23	0%	0.004	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-45.1	-175.5	-173.6	-125.9	0	0	0	111.7	S86 P88 A91 P92 T109 R110 E236 L237	S86-F95 WeakPolarHBondContact O-CD2 3.38Å; P88-F95 HydrophobicContact CB-CB 4.28Å; P88-F95 HydrophobicContact CB-CD1 3.93Å; P88-F95 HydrophobicContact CB-CD2 4.35Å; P88-F95 HydrophobicContact CB-CE1 4.3Å; P88-F95 HydrophobicContact CB-CG 3.94Å; P88-F95 HydrophobicContact CG-CD1 4.35Å; P88-F95 HydrophobicContact CG-CE1 4.23Å; P88-F95 HydrophobicContact CG-CE2 4.47Å; P88-F95 HydrophobicContact CG-CG 4.49Å; P88-F95 HydrophobicContact CG-CZ 4.31Å; A91-F95 PolarHBondContact O-N 2.91Å; P92-F95 PolarHBondContact O-N 2.95Å; F95-T109 HydrophobicContact CD1-CG2 4Å; F95-T109 HydrophobicContact CE1-CG2 3.54Å; F95-T109 HydrophobicContact CE2-CG2 4.32Å; F95-T109 HydrophobicContact CZ-CG2 3.71Å; F95-T109 CarbonylContact O-C 3.53Å; F95-T109 WeakPolarHBondContact O-CA 3.11Å; F95-R110 PolarHBondContact O-N 2.73Å; F95-E236 HydrophobicContact CZ-CB 4.07Å; F95-L237 HydrophobicContact CD1-CD2 4.28Å; F95-L237 HydrophobicContact CE1-CD2 3.57Å; F95-L237 HydrophobicContact CE1-CG 4.16Å
96	W	98.7	Very high	97.8	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	143.1	172.2	-81.7	104.7	0	0	0	112	L94 Y99 M107 T109 L115 K174 W184 L237 F336	L94-W96 PolarHBondContact O-N 2.63Å; W96-Y99 VanDerWaalsContact C-CE2 3.5Å; W96-M107 HydrophobicContact CE3-CB 4.16Å; W96-M107 HydrophobicContact CZ3-CB 4.31Å; W96-T109 HydrophobicContact CD2-CG2 3.75Å; W96-T109 VanDerWaalsContact CE2-CG2 3.48Å; W96-T109 HydrophobicContact CE3-CG2 4.06Å; W96-T109 HydrophobicContact CG-CG2 4.39Å; W96-T109 HydrophobicContact CH2-CG2 3.88Å; W96-T109 HydrophobicContact CZ2-CG2 3.56Å; W96-T109 HydrophobicContact CZ3-CG2 4.12Å; W96-L115 HydrophobicContact CH2-CB 4.02Å; W96-L115 HydrophobicContact CH2-CD2 3.93Å; W96-L115 HydrophobicContact CH2-CG 4.08Å; W96-L115 HydrophobicContact CZ2-CB 4.46Å; W96-L115 HydrophobicContact CZ2-CD2 4.06Å; W96-K174 HydrophobicContact CB-CD 3.86Å; W96-K174 PolarHBondContact O-NZ 3.39Å; W96-W184 AromaticContact CD2-CD1 3.87Å; W96-W184 AromaticContact CD2-NE1 3.49Å; W96-W184 AromaticContact CE2-NE1 3.69Å; W96-W184 AromaticContact CE3-NE1 3.57Å; W96-W184 AromaticContact CG-CD1 3.92Å; W96-W184 AromaticContact CZ2-NE1 3.96Å; W96-W184 HydrophobicContact CZ3-CZ2 4.44Å; W96-W184 AromaticContact CZ3-NE1 3.84Å; W96-L237 HydrophobicContact CZ2-CD1 3.88Å; W96-L237 HydrophobicContact CZ2-CD2 3.84Å; W96-F336 HydrophobicContact CZ2-CE1 4.27Å; W96-F336 HydrophobicContact CZ2-CE2 4.09Å; W96-F336 AromaticContact CZ2-CZ 3.92Å; W96-F336 HydrophobicContact CZ2-CZ 3.92Å; W96-F336 AromaticContact NE1-CE1 3.74Å
97	G	98.7	Very high	97.9	Very high	5 Å²	5	22.2 Å²	22.2	5%	0.052	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	176.7	170.2	0	0	0	0	0	113.2	Y99 M107 K108	G97-Y99 VanDerWaalsContact CA-CE2 3.4Å; G97-Y99 PolarHBondContact O-N 3.03Å; G97-M107 WeakPolarHBondContact O-CA 3.25Å; G97-M107 VanDerWaalsContact O-CB 3.29Å; G97-M107 WeakPolarHBondContact O-CB 3.41Å; G97-K108 PolarHBondContact N-O 2.95Å; G97-K108 PolarHBondContact O-N 2.98Å; G97-K108 VanDerWaalsContact O-N 3.08Å
98	T	98.8	Very high	97.9	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.055	14%	0.137	C	C	.	.			trans	-74.2	38.6	176.1	45.5	0	0	0	0	112.3	R100 G106 M107 W148 H151 F172	T98-R100 PolarHBondContact O-N 3.34Å; T98-G106 WeakPolarHBondContact CA-O 3.38Å; T98-M107 HydrophobicContact CG2-CG 4.15Å; T98-W148 HydrophobicContact CG2-CH2 3.93Å; T98-W148 HydrophobicContact CG2-CZ2 4.01Å; T98-H151 PolarHBondContact OG1-CE1 3.05Å; T98-H151 PolarHBondContact OG1-NE2 3.23Å; T98-F172 HydrophobicContact CG2-CD1 4.09Å; T98-F172 HydrophobicContact CG2-CE1 3.74Å; T98-F172 HydrophobicContact CG2-CZ 4.22Å
99	Y	98.8	Very high	98	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.035	13%	0.132	C	C	.	.			trans	-76.4	26.9	-167	-55.9	-42.3	0	0	0	115.2	L94 W96 G97 R110 I402 Y404 F435	L94-Y99 WeakPolarHBondContact O-CE2 3.34Å; L94-Y99 PolarHBondContact O-OH 3.43Å; L94-Y99 VanDerWaalsContact O-OH 3.1Å; W96-Y99 VanDerWaalsContact C-CE2 3.5Å; G97-Y99 VanDerWaalsContact CA-CE2 3.4Å; G97-Y99 PolarHBondContact O-N 3.03Å; Y99-R110 HydrophobicContact CD2-CG 3.66Å; Y99-R110 HydrophobicContact CE2-CG 3.4Å; Y99-R110 VanDerWaalsContact CE2-CG 3.4Å; Y99-I402 WeakPolarHBondContact CA-O 3.28Å; Y99-I402 HydrophobicContact CD1-CG2 4.42Å; Y99-I402 HydrophobicContact CE1-CG2 4.45Å; Y99-Y404 PolarHBondContact O-N 3.46Å; Y99-F435 HydrophobicContact CD1-CE2 4.09Å; Y99-F435 AromaticContact CE1-CE2 3.6Å; Y99-F435 HydrophobicContact CE1-CE2 3.6Å; Y99-F435 HydrophobicContact CE1-CZ 4.32Å; Y99-F435 AromaticContact CZ-CE2 3.97Å
100	R	98.1	Very high	98.1	Very high	10 Å²	10	16.6 Å²	16.6	4%	0.038	10%	0.096	C	C	.	.			trans	-126.9	66.6	178.7	-63	-179.6	71.3	-149.6	-2.1	109.4	T98 H102 V103 K108 T117 Y208 E493	T98-R100 PolarHBondContact O-N 3.34Å; R100-H102 PolarHBondContact O-N 3.41Å; R100-V103 HydrophobicContact CB-CB 4.47Å; R100-V103 HydrophobicContact CB-CG2 4.36Å; R100-V103 PolarHBondContact O-N 3.11Å; R100-K108 HydrophobicContact CG-CB 4.26Å; R100-K108 HydrophobicContact CG-CD 3.54Å; R100-K108 HydrophobicContact CG-CG 3.81Å; R100-T117 PolarHBondContact NH1-O 3.28Å; R100-Y208 PolarHBondContact NH1-OH 2.95Å; R100-Y208 PolarHBondContact NH2-OH 3.27Å; R100-E493 IonicContact CZ-OE1 2.76Å; R100-E493 IonicContact NE-OE1 3.52Å; R100-E493 IonicContact NE-OE2 3.96Å; R100-E493 IonicContact NH2-OE1 2.81Å; R100-E493 PolarHBondContact NH2-OE1 2.8Å
101	P	98.1	Very high	98.2	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.026	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.8	-165.2	21.8	-33.7	0	0	0	114.1	V103 G401 F405 V438 R441	P101-V103 VanDerWaalsContact C-N 3.32Å; P101-G401 WeakPolarHBondContact CB-O 3.07Å; P101-F405 HydrophobicContact CG-CZ 4.15Å; P101-V438 HydrophobicContact CB-CG2 3.82Å; P101-V438 HydrophobicContact CG-CG1 3.85Å; P101-V438 HydrophobicContact CG-CG2 4.03Å; P101-R441 HydrophobicContact CB-CG 4.17Å; P101-R441 VanDerWaalsContact O-CB 3.3Å; P101-R441 WeakPolarHBondContact O-CB 3.24Å; P101-R441 VanDerWaalsContact O-CG 3.27Å; P101-R441 WeakPolarHBondContact O-CG 3.43Å; P101-R441 PolarHBondContact O-NE 2.94Å
102	H	98.3	Very high	98.1	Very high	21 Å²	21	14.9 Å²	14.9	10%	0.097	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.2	177.5	-158.7	37.5	0	0	0	115.3	R100 T136 C137 E138 R441 S442 P445 R497	R100-H102 PolarHBondContact O-N 3.41Å; H102-T136 CarbonylContact O-C 3.56Å; H102-T136 VanDerWaalsContact O-CA 3.27Å; H102-T136 WeakPolarHBondContact O-CA 3.37Å; H102-C137 PolarHBondContact CE1-O 2.9Å; H102-C137 PolarHBondContact O-N 3Å; H102-E138 IonicContact NE2-OE1 3.92Å; H102-R441 PolarHBondContact ND1-O 3.48Å; H102-S442 PolarHBondContact CE1-O 3.34Å; H102-S442 VanDerWaalsContact CE1-O 3.3Å; H102-P445 HydrophobicContact CB-CB 3.51Å; H102-P445 HydrophobicContact CB-CG 3.77Å; H102-R497 PolarHBondContact CD2-NE 3.01Å; H102-R497 VanDerWaalsContact CD2-NE 3.3Å; H102-R497 VanDerWaalsContact NE2-CD 3.29Å; H102-R497 WeakPolarHBondContact NE2-CD 3.45Å; H102-R497 PolarHBondContact NE2-NE 3.33Å; H102-R497 PolarHBondContact NE2-NH1 3.49Å; H102-R497 PolarHBondContact NE2-NH2 3.46Å
103	V	98.4	Very high	98	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.024	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-91.3	142.2	174.5	179.8	0	0	0	0	108	R100 P101 F105 R441	R100-V103 HydrophobicContact CB-CB 4.47Å; R100-V103 HydrophobicContact CB-CG2 4.36Å; R100-V103 PolarHBondContact O-N 3.11Å; P101-V103 VanDerWaalsContact C-N 3.32Å; V103-F105 VanDerWaalsContact C-N 3.28Å; V103-F105 WeakPolarHBondContact CG1-O 3.46Å; V103-F105 PolarHBondContact O-N 3.29Å; V103-R441 PolarHBondContact O-NH2 3.05Å
104	Y	98.8	Very high	98	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	7%	0.072	C	C	.	.	S	Bend	trans	-57.3	-43.6	178.9	-83.1	-71.3	0	0	0	112.1	W121 R134 H135 T136 C137 D141 V143 Y146 Q159 I161 R441	Y104-W121 HydrophobicContact CD1-CH2 4.02Å; Y104-W121 AromaticContact CD2-CH2 3.39Å; Y104-W121 HydrophobicContact CD2-CH2 3.39Å; Y104-W121 AromaticContact CD2-CZ3 3.6Å; Y104-W121 HydrophobicContact CD2-CZ3 3.6Å; Y104-W121 HydrophobicContact CE1-CH2 4.35Å; Y104-W121 AromaticContact CE2-CH2 3.77Å; Y104-W121 HydrophobicContact CE2-CH2 3.77Å; Y104-W121 HydrophobicContact CE2-CZ3 4.37Å; Y104-W121 AromaticContact CG-CH2 3.54Å; Y104-W121 HydrophobicContact CG-CH2 3.54Å; Y104-W121 AromaticContact CG-CZ3 3.73Å; Y104-W121 HydrophobicContact CG-CZ3 3.73Å; Y104-R134 HydrophobicContact CE2-CB 4.5Å; Y104-H135 WeakPolarHBondContact CD2-O 3.23Å; Y104-H135 PolarHBondContact N-O 3.07Å; Y104-T136 WeakPolarHBondContact CE2-O 3.35Å; Y104-C137 HydrophobicContact CE1-CB 4.44Å; Y104-D141 PolarHBondContact OH-OD2 3.18Å; Y104-V143 HydrophobicContact CE1-CG1 3.9Å; Y104-V143 WeakPolarHBondContact OH-CB 3.35Å; Y104-Y146 HydrophobicContact CD1-CD2 4.09Å; Y104-Y146 HydrophobicContact CD1-CE2 4.17Å; Y104-Y146 HydrophobicContact CD1-CG 4.4Å; Y104-Y146 AromaticContact CE1-CD1 3.89Å; Y104-Y146 HydrophobicContact CE1-CD1 3.89Å; Y104-Y146 AromaticContact CE1-CD2 3.93Å; Y104-Y146 HydrophobicContact CE1-CD2 3.93Å; Y104-Y146 AromaticContact CE1-CE1 3.83Å; Y104-Y146 HydrophobicContact CE1-CE1 3.83Å; Y104-Y146 AromaticContact CE1-CE2 3.87Å; Y104-Y146 HydrophobicContact CE1-CE2 3.87Å; Y104-Y146 AromaticContact CE1-CG 3.94Å; Y104-Y146 HydrophobicContact CE1-CG 3.94Å; Y104-Y146 AromaticContact CE1-CZ 3.82Å; Y104-Q159 PolarHBondContact O-NE2 2.61Å; Y104-Q159 PolarHBondContact O-OE1 3.17Å; Y104-I161 HydrophobicContact CD1-CD1 4.29Å; Y104-R441 PolarHBondContact O-NH2 3.25Å
105	F	98.9	Very high	98	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.009	7%	0.069	C	C	.	.	S	Bend	trans	-154.1	128.7	172.8	-173.4	-115.5	0	0	0	110.7	V103 L119 W148 T170 F172 W186	V103-F105 VanDerWaalsContact C-N 3.28Å; V103-F105 WeakPolarHBondContact CG1-O 3.46Å; V103-F105 PolarHBondContact O-N 3.29Å; F105-L119 HydrophobicContact CB-CB 4.24Å; F105-L119 HydrophobicContact CB-CD2 4.21Å; F105-L119 HydrophobicContact CD1-CB 4.22Å; F105-L119 HydrophobicContact CD1-CD2 4.19Å; F105-L119 PolarHBondContact O-N 3.44Å; F105-W148 AromaticContact CD2-CH2 3.92Å; F105-W148 HydrophobicContact CD2-CH2 3.92Å; F105-W148 HydrophobicContact CD2-CZ2 4.46Å; F105-W148 AromaticContact CE2-CH2 3.86Å; F105-W148 HydrophobicContact CE2-CH2 3.86Å; F105-T170 HydrophobicContact CB-CG2 4.13Å; F105-T170 HydrophobicContact CD1-CG2 4.23Å; F105-T170 HydrophobicContact CG-CG2 4.1Å; F105-F172 HydrophobicContact CE2-CD1 4.25Å; F105-F172 HydrophobicContact CZ-CB 4.17Å; F105-W186 HydrophobicContact CD1-CD2 4.17Å; F105-W186 AromaticContact CD1-CE3 4Å; F105-W186 HydrophobicContact CD1-CE3 4Å; F105-W186 HydrophobicContact CD1-CZ3 4.2Å; F105-W186 HydrophobicContact CE1-CB 3.97Å; F105-W186 AromaticContact CE1-CD1 3.96Å; F105-W186 AromaticContact CE1-CD2 3.27Å; F105-W186 HydrophobicContact CE1-CD2 3.27Å; F105-W186 AromaticContact CE1-CE2 3.71Å; F105-W186 AromaticContact CE1-CE3 3.5Å; F105-W186 HydrophobicContact CE1-CE3 3.5Å; F105-W186 AromaticContact CE1-CG 3.49Å; F105-W186 HydrophobicContact CE1-CG 3.49Å; F105-W186 VanDerWaalsContact CE1-CG 3.49Å; F105-W186 HydrophobicContact CE1-CH2 4.48Å; F105-W186 HydrophobicContact CE1-CZ2 4.31Å; F105-W186 HydrophobicContact CE1-CZ3 4.11Å; F105-W186 HydrophobicContact CZ-CB 4.27Å; F105-W186 AromaticContact CZ-CD1 3.73Å; F105-W186 AromaticContact CZ-CD2 3.85Å; F105-W186 HydrophobicContact CZ-CD2 3.85Å; F105-W186 AromaticContact CZ-CE2 3.97Å; F105-W186 HydrophobicContact CZ-CE3 4.49Å; F105-W186 AromaticContact CZ-CG 3.72Å; F105-W186 HydrophobicContact CZ-CG 3.72Å; F105-W186 AromaticContact CZ-NE1 3.9Å
106	G	98.6	Very high	97.9	Very high	4 Å²	4	13.5 Å²	13.5	4%	0.041	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	161.7	179.8	0	0	0	0	0	111.2	T98 T117	T98-G106 WeakPolarHBondContact CA-O 3.38Å; G106-T117 VanDerWaalsContact CA-O 3.28Å; G106-T117 WeakPolarHBondContact CA-O 3.46Å
107	M	98.8	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159.5	179.1	-65.3	-178.7	93.2	0	0	110.7	W96 G97 T98 T117 F172 K174 W184 W186	W96-M107 HydrophobicContact CE3-CB 4.16Å; W96-M107 HydrophobicContact CZ3-CB 4.31Å; G97-M107 WeakPolarHBondContact O-CA 3.25Å; G97-M107 VanDerWaalsContact O-CB 3.29Å; G97-M107 WeakPolarHBondContact O-CB 3.41Å; T98-M107 HydrophobicContact CG2-CG 4.15Å; M107-T117 PolarHBondContact N-O 2.92Å; M107-T117 VanDerWaalsContact N-O 3.15Å; M107-T117 PolarHBondContact O-N 2.97Å; M107-T117 PolarHBondContact O-OG1 3.43Å; M107-F172 HydrophobicContact CE-CD2 4.15Å; M107-F172 HydrophobicContact CE-CE2 4.34Å; M107-K174 HydrophobicContact CE-CD 4.02Å; M107-K174 HydrophobicContact CE-CG 4.14Å; M107-W184 HydrophobicContact SD-CD2 4.05Å; M107-W184 HydrophobicContact SD-CE3 4.38Å; M107-W184 HydrophobicContact SD-CG 4.22Å; M107-W186 HydrophobicContact CB-CZ2 4Å; M107-W186 HydrophobicContact CG-CZ2 3.75Å; M107-W186 HydrophobicContact SD-CZ2 4.16Å; M107-W186 PolarHBondContact SD-NE1 3.43Å
108	K	98.6	Very high	98	Very high	16 Å²	16	13.2 Å²	13.2	7%	0.07	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	165.3	169.3	63.7	178.5	-68.3	-172.6	0	110.3	G97 R100 P114 L115 L116 Y404	G97-K108 PolarHBondContact N-O 2.95Å; G97-K108 PolarHBondContact O-N 2.98Å; G97-K108 VanDerWaalsContact O-N 3.08Å; R100-K108 HydrophobicContact CG-CB 4.26Å; R100-K108 HydrophobicContact CG-CD 3.54Å; R100-K108 HydrophobicContact CG-CG 3.81Å; K108-P114 HydrophobicContact CB-CB 4.39Å; K108-L115 VanDerWaalsContact CA-O 3.32Å; K108-L115 WeakPolarHBondContact CA-O 3.41Å; K108-L116 HydrophobicContact CB-CB 4.41Å; K108-L116 HydrophobicContact CB-CD2 4.32Å; K108-L116 HydrophobicContact CB-CG 4.12Å; K108-Y404 PolarHBondContact NZ-O 3.32Å
109	T	98.6	Very high	98	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	152.2	168.2	54.6	0	0	0	0	112	F95 W96 S111 P114 L115 L237	F95-T109 HydrophobicContact CD1-CG2 4Å; F95-T109 HydrophobicContact CE1-CG2 3.54Å; F95-T109 HydrophobicContact CE2-CG2 4.32Å; F95-T109 HydrophobicContact CZ-CG2 3.71Å; F95-T109 CarbonylContact O-C 3.53Å; F95-T109 WeakPolarHBondContact O-CA 3.11Å; W96-T109 HydrophobicContact CD2-CG2 3.75Å; W96-T109 VanDerWaalsContact CE2-CG2 3.48Å; W96-T109 HydrophobicContact CE3-CG2 4.06Å; W96-T109 HydrophobicContact CG-CG2 4.39Å; W96-T109 HydrophobicContact CH2-CG2 3.88Å; W96-T109 HydrophobicContact CZ2-CG2 3.56Å; W96-T109 HydrophobicContact CZ3-CG2 4.12Å; T109-S111 PolarHBondContact O-N 3.18Å; T109-P114 VanDerWaalsContact OG1-CA 3.28Å; T109-P114 WeakPolarHBondContact OG1-CA 3.32Å; T109-P114 WeakPolarHBondContact OG1-CB 3.24Å; T109-L115 PolarHBondContact N-O 3.03Å; T109-L115 PolarHBondContact OG1-N 3.29Å; T109-L237 HydrophobicContact CG2-CD1 4.25Å; T109-L237 HydrophobicContact CG2-CD2 4.1Å; T109-L237 HydrophobicContact CG2-CG 4.45Å
110	R	98.1	Very high	98	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.011	6%	0.063	C	C	.	.	S	Bend	trans	-76.9	68.9	169.5	-63.7	-164.3	-56	158.1	7.6	110.7	S86 L94 F95 Y99 Y404 E469	S86-R110 WeakPolarHBondContact CB-O 3.33Å; L94-R110 VanDerWaalsContact CB-NH2 3.28Å; L94-R110 VanDerWaalsContact O-CD 3.24Å; L94-R110 WeakPolarHBondContact O-CD 3.45Å; L94-R110 WeakPolarHBondContact O-CG 3.5Å; L94-R110 PolarHBondContact O-NE 2.97Å; F95-R110 PolarHBondContact O-N 2.73Å; Y99-R110 HydrophobicContact CD2-CG 3.66Å; Y99-R110 HydrophobicContact CE2-CG 3.4Å; Y99-R110 VanDerWaalsContact CE2-CG 3.4Å; R110-Y404 VanDerWaalsContact C-CE1 3.49Å; R110-Y404 HydrophobicContact CB-CD1 4.36Å; R110-Y404 HydrophobicContact CB-CD2 3.7Å; R110-Y404 HydrophobicContact CB-CE1 4.41Å; R110-Y404 HydrophobicContact CB-CE2 3.75Å; R110-Y404 HydrophobicContact CB-CG 4.01Å; R110-Y404 HydrophobicContact CG-CD2 3.71Å; R110-Y404 HydrophobicContact CG-CE2 4.25Å; R110-Y404 HydrophobicContact CG-CG 3.95Å; R110-E469 IonicContact CZ-OE2 3.16Å; R110-E469 IonicContact NH1-OE2 3.13Å; R110-E469 PolarHBondContact NH1-OE2 3.22Å; R110-E469 IonicContact NH2-OE2 3.81Å
111	S	97.1	Very high	98	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	6%	0.062	C	C	.	.	S	Bend	trans	-138.1	149.1	-175.4	165.1	0	0	0	0	111.8	T109 K113 P114 E236 Y404	T109-S111 PolarHBondContact O-N 3.18Å; S111-K113 PolarHBondContact O-N 2.78Å; S111-K113 PolarHBondContact OG-N 2.87Å; S111-K113 PolarHBondContact OG-O 3.31Å; S111-P114 WeakPolarHBondContact O-CD 3.2Å; S111-E236 WeakPolarHBondContact CB-OE2 3.34Å; S111-E236 VanDerWaalsContact OG-CD 3.24Å; S111-E236 PolarHBondContact OG-OE1 2.92Å; S111-E236 PolarHBondContact OG-OE2 3.27Å; S111-Y404 VanDerWaalsContact N-CE1 3.3Å; S111-Y404 WeakPolarHBondContact O-CE1 3.15Å
112	P	95.1	Very high	98	Very high	58 Å²	58	11.7 Å²	11.7	38%	0.377	6%	0.06	S	C	.	.	S	Bend	trans	-64.1	-21.2	168.4	29.3	-37	0	0	0	113.5	Y406	P112-Y406 HydrophobicContact CB-CD1 3.59Å; P112-Y406 HydrophobicContact CB-CD2 3.85Å; P112-Y406 HydrophobicContact CB-CE1 3.47Å; P112-Y406 VanDerWaalsContact CB-CE1 3.47Å; P112-Y406 HydrophobicContact CB-CE2 3.75Å; P112-Y406 HydrophobicContact CB-CG 3.79Å
113	K	94.9	Very high	97.8	Very high	114 Å²	114	12.1 Å²	12.1	50%	0.496	6%	0.062	S	C	.	.	S	Bend	trans	-126.6	68.5	176.8	-63.6	-173.7	-179.2	-173.7	0	109.8	S111 D212	S111-K113 PolarHBondContact O-N 2.78Å; S111-K113 PolarHBondContact OG-N 2.87Å; S111-K113 PolarHBondContact OG-O 3.31Å; K113-D212 HydrophobicContact CB-CB 4.11Å; K113-D212 WeakPolarHBondContact CG-OD1 3.35Å
114	P	96.1	Very high	97.6	Very high	13 Å²	13	12.5 Å²	12.5	8%	0.084	6%	0.064	C	C	.	.			trans	-77.7	151.3	-166.4	31	-32.7	0	0	0	111.9	K108 T109 S111 L116	K108-P114 HydrophobicContact CB-CB 4.39Å; T109-P114 VanDerWaalsContact OG1-CA 3.28Å; T109-P114 WeakPolarHBondContact OG1-CA 3.32Å; T109-P114 WeakPolarHBondContact OG1-CB 3.24Å; S111-P114 WeakPolarHBondContact O-CD 3.2Å; P114-L116 HydrophobicContact CB-CD1 4.49Å; P114-L116 HydrophobicContact CB-CG 4.34Å; P114-L116 HydrophobicContact CG-CD1 4.02Å; P114-L116 HydrophobicContact CG-CD2 4.34Å; P114-L116 HydrophobicContact CG-CG 4.1Å; P114-L116 WeakPolarHBondContact O-CD1 3.33Å
115	L	97.8	Very high	96.9	Very high	1 Å²	1	16 Å²	16	1%	0.005	10%	0.101	C	C	.	.			trans	-81.2	132.1	155.9	-173.5	66.7	0	0	0	107.8	W96 K108 T109 V209 T211 L237 F240 F242 F336	W96-L115 HydrophobicContact CH2-CB 4.02Å; W96-L115 HydrophobicContact CH2-CD2 3.93Å; W96-L115 HydrophobicContact CH2-CG 4.08Å; W96-L115 HydrophobicContact CZ2-CB 4.46Å; W96-L115 HydrophobicContact CZ2-CD2 4.06Å; K108-L115 VanDerWaalsContact CA-O 3.32Å; K108-L115 WeakPolarHBondContact CA-O 3.41Å; T109-L115 PolarHBondContact N-O 3.03Å; T109-L115 PolarHBondContact OG1-N 3.29Å; L115-V209 HydrophobicContact CD1-CG2 3.72Å; L115-V209 HydrophobicContact CG-CG2 4.39Å; L115-T211 HydrophobicContact CD1-CG2 3.85Å; L115-L237 HydrophobicContact CB-CD1 3.58Å; L115-L237 HydrophobicContact CD2-CD1 3.4Å; L115-L237 HydrophobicContact CG-CD1 4.14Å; L115-F240 HydrophobicContact CD1-CZ 4.25Å; L115-F240 HydrophobicContact CD2-CD2 4.31Å; L115-F240 HydrophobicContact CD2-CE1 4.11Å; L115-F240 HydrophobicContact CD2-CE2 3.9Å; L115-F240 HydrophobicContact CD2-CZ 3.77Å; L115-F242 HydrophobicContact CD2-CE2 3.85Å; L115-F242 HydrophobicContact CD2-CZ 3.75Å; L115-F242 HydrophobicContact CG-CZ 4.41Å; L115-F336 HydrophobicContact CD2-CE2 4.36Å
116	L	97.6	Very high	95.5	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.031	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.3	-177	-44.9	92.1	0	0	0	111.6	K108 P114 V209 V210 L270	K108-L116 HydrophobicContact CB-CB 4.41Å; K108-L116 HydrophobicContact CB-CD2 4.32Å; K108-L116 HydrophobicContact CB-CG 4.12Å; P114-L116 HydrophobicContact CB-CD1 4.49Å; P114-L116 HydrophobicContact CB-CG 4.34Å; P114-L116 HydrophobicContact CG-CD1 4.02Å; P114-L116 HydrophobicContact CG-CD2 4.34Å; P114-L116 HydrophobicContact CG-CG 4.1Å; P114-L116 WeakPolarHBondContact O-CD1 3.33Å; L116-V209 CarbonylContact O-C 3.58Å; L116-V209 VanDerWaalsContact O-CA 3.31Å; L116-V209 WeakPolarHBondContact O-CA 3.38Å; L116-V210 HydrophobicContact CB-CB 4.37Å; L116-V210 HydrophobicContact CD1-CB 4.14Å; L116-V210 HydrophobicContact CD1-CG1 4.18Å; L116-V210 PolarHBondContact N-O 3.44Å; L116-V210 PolarHBondContact O-N 3.33Å; L116-L270 HydrophobicContact CD1-CD2 4.46Å; L116-L270 HydrophobicContact CD2-CD1 3.66Å; L116-L270 HydrophobicContact CD2-CD2 4.19Å
117	T	98.8	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	157.9	172.8	57.6	0	0	0	0	110.9	R100 G106 M107 W184 W186 Y208 V209 F242 F334	R100-T117 PolarHBondContact NH1-O 3.28Å; G106-T117 VanDerWaalsContact CA-O 3.28Å; G106-T117 WeakPolarHBondContact CA-O 3.46Å; M107-T117 PolarHBondContact N-O 2.92Å; M107-T117 VanDerWaalsContact N-O 3.15Å; M107-T117 PolarHBondContact O-N 2.97Å; M107-T117 PolarHBondContact O-OG1 3.43Å; T117-W184 HydrophobicContact CG2-CH2 4.02Å; T117-W184 HydrophobicContact CG2-CZ2 3.93Å; T117-W186 WeakPolarHBondContact OG1-CH2 3.5Å; T117-W186 WeakPolarHBondContact OG1-CZ2 3.33Å; T117-Y208 WeakPolarHBondContact CA-O 3.49Å; T117-Y208 WeakPolarHBondContact CB-O 3.39Å; T117-V209 HydrophobicContact CG2-CB 4.39Å; T117-V209 HydrophobicContact CG2-CG2 4.46Å; T117-F242 HydrophobicContact CG2-CE1 3.67Å; T117-F242 HydrophobicContact CG2-CZ 3.72Å; T117-F334 HydrophobicContact CG2-CE1 4.27Å
118	G	98.8	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	167.5	174	0	0	0	0	0	114.8	Y208	G118-Y208 VanDerWaalsContact CA-CE1 3.44Å; G118-Y208 VanDerWaalsContact CA-CZ 3.44Å; G118-Y208 PolarHBondContact N-O 3.24Å; G118-Y208 VanDerWaalsContact N-O 3.16Å; G118-Y208 WeakPolarHBondContact O-CD1 3.47Å; G118-Y208 PolarHBondContact O-N 3.36Å
119	L	98.9	Very high	91.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.1	-179.7	-179.3	68.4	0	0	0	110.4	F105 T170 V188 F206 F207	F105-L119 HydrophobicContact CB-CB 4.24Å; F105-L119 HydrophobicContact CB-CD2 4.21Å; F105-L119 HydrophobicContact CD1-CB 4.22Å; F105-L119 HydrophobicContact CD1-CD2 4.19Å; F105-L119 PolarHBondContact O-N 3.44Å; L119-T170 HydrophobicContact CD2-CG2 3.83Å; L119-V188 HydrophobicContact CD1-CG2 4.37Å; L119-V188 HydrophobicContact CD2-CG1 4.12Å; L119-V188 HydrophobicContact CD2-CG2 4.02Å; L119-F206 CarbonylContact C-O 3.59Å; L119-F206 WeakPolarHBondContact CA-O 3.23Å; L119-F207 HydrophobicContact CD1-CD1 4.22Å; L119-F207 HydrophobicContact CD1-CE1 3.78Å; L119-F207 HydrophobicContact CD1-CE2 4.26Å; L119-F207 HydrophobicContact CD1-CZ 3.78Å
120	M	98.9	Very high	90.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	161.3	160.8	-45.4	-177.1	-177	0	0	109.8	L133 R134 H135 F206 Y208 L273 V277 I321	M120-L133 HydrophobicContact CB-CD1 3.89Å; M120-L133 HydrophobicContact CB-CG 4.48Å; M120-L133 HydrophobicContact SD-CD1 4.36Å; M120-L133 HydrophobicContact SD-CD2 3.92Å; M120-L133 HydrophobicContact SD-CG 4.31Å; M120-R134 WeakPolarHBondContact CA-O 3.4Å; M120-R134 VanDerWaalsContact CB-O 3.25Å; M120-R134 WeakPolarHBondContact CB-O 3.4Å; M120-H135 HydrophobicContact CB-CB 4.46Å; M120-H135 HydrophobicContact CE-CB 4.34Å; M120-H135 HydrophobicContact CG-CB 3.83Å; M120-H135 HydrophobicContact SD-CB 4.12Å; M120-F206 HydrophobicContact CB-CB 3.97Å; M120-F206 HydrophobicContact CB-CD2 4.06Å; M120-F206 HydrophobicContact CB-CG 4.29Å; M120-F206 PolarHBondContact N-O 3.44Å; M120-F206 PolarHBondContact O-N 3.43Å; M120-Y208 HydrophobicContact CE-CD1 4.01Å; M120-Y208 HydrophobicContact CE-CE1 3.81Å; M120-Y208 HydrophobicContact CG-CD1 4.43Å; M120-Y208 HydrophobicContact CG-CE1 4.3Å; M120-L273 HydrophobicContact CE-CB 4.07Å; M120-V277 HydrophobicContact CE-CG2 4.09Å; M120-V277 HydrophobicContact SD-CB 4.31Å; M120-V277 HydrophobicContact SD-CG1 4.41Å; M120-V277 HydrophobicContact SD-CG2 3.99Å; M120-I321 HydrophobicContact CE-CD1 4.34Å; M120-I321 HydrophobicContact SD-CD1 4.15Å
121	W	98.7	Very high	89.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.9	170.7	74.1	99.3	0	0	0	113.1	Y104 R134 V143 I161 D163 L168 S204 L205	Y104-W121 HydrophobicContact CD1-CH2 4.02Å; Y104-W121 AromaticContact CD2-CH2 3.39Å; Y104-W121 HydrophobicContact CD2-CH2 3.39Å; Y104-W121 AromaticContact CD2-CZ3 3.6Å; Y104-W121 HydrophobicContact CD2-CZ3 3.6Å; Y104-W121 HydrophobicContact CE1-CH2 4.35Å; Y104-W121 AromaticContact CE2-CH2 3.77Å; Y104-W121 HydrophobicContact CE2-CH2 3.77Å; Y104-W121 HydrophobicContact CE2-CZ3 4.37Å; Y104-W121 AromaticContact CG-CH2 3.54Å; Y104-W121 HydrophobicContact CG-CH2 3.54Å; Y104-W121 AromaticContact CG-CZ3 3.73Å; Y104-W121 HydrophobicContact CG-CZ3 3.73Å; W121-R134 HydrophobicContact CD2-CB 3.58Å; W121-R134 HydrophobicContact CD2-CG 4.24Å; W121-R134 HydrophobicContact CE3-CB 3.69Å; W121-R134 HydrophobicContact CG-CB 4.37Å; W121-R134 HydrophobicContact CH2-CB 3.47Å; W121-R134 VanDerWaalsContact CH2-CB 3.47Å; W121-R134 HydrophobicContact CH2-CG 4.1Å; W121-R134 HydrophobicContact CZ2-CB 3.35Å; W121-R134 HydrophobicContact CZ2-CG 3.52Å; W121-R134 HydrophobicContact CZ3-CB 3.62Å; W121-R134 PolarHBondContact N-O 2.78Å; W121-R134 VanDerWaalsContact N-O 3.14Å; W121-R134 PolarHBondContact O-N 2.89Å; W121-V143 HydrophobicContact CZ2-CG1 4.41Å; W121-V143 HydrophobicContact CZ2-CG2 4.11Å; W121-I161 HydrophobicContact CH2-CD1 4.41Å; W121-I161 HydrophobicContact CH2-CG2 4.13Å; W121-I161 HydrophobicContact CZ2-CG2 4.05Å; W121-D163 HydrophobicContact CZ2-CB 4.49Å; W121-D163 PolarHBondContact NE1-OD2 2.82Å; W121-L168 HydrophobicContact CB-CD2 4.37Å; W121-L168 HydrophobicContact CD2-CD2 3.84Å; W121-L168 HydrophobicContact CE3-CD2 4.34Å; W121-L168 HydrophobicContact CG-CD2 3.86Å; W121-S204 CarbonylContact C-O 3.17Å; W121-S204 VanDerWaalsContact CA-O 3.27Å; W121-S204 WeakPolarHBondContact CA-O 3.32Å; W121-L205 HydrophobicContact CB-CD2 3.6Å
122	A	97.4	Very high	89.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	128.4	174.3	0	0	0	0	0	111.1	P131 L133 S204 F206	A122-P131 HydrophobicContact CB-CB 3.88Å; A122-L133 HydrophobicContact CB-CD1 4.27Å; A122-S204 PolarHBondContact N-O 3.2Å; A122-S204 PolarHBondContact O-N 2.92Å; A122-F206 HydrophobicContact CB-CE2 4.11Å
123	Q	95.6	Very high	89.8	Confident	30 Å²	30	40.3 Å²	40.3	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.3	166.7	-168.5	-179.7	-17	0	0	109.8	T126 L166 P201	Q123-T126 HydrophobicContact CB-CG2 4.22Å; Q123-T126 HydrophobicContact CG-CG2 3.7Å; Q123-T126 VanDerWaalsContact NE2-CG2 3.26Å; Q123-L166 HydrophobicContact CB-CD1 4.09Å; Q123-L166 HydrophobicContact CG-CD1 4.35Å; Q123-P201 HydrophobicContact CG-CB 4.25Å
124	Q	94.3	Very high	90	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.056	23%	0.229	C	C	.	.	S	Bend	trans	-89.5	149.8	-178.1	-62.2	-74.3	-14.1	0	0	110.8	T126 L202 S204 L298 T325	Q124-T126 PolarHBondContact O-N 2.78Å; Q124-L202 HydrophobicContact CB-CB 4.18Å; Q124-L202 HydrophobicContact CB-CD2 4.04Å; Q124-L202 HydrophobicContact CB-CG 4.03Å; Q124-L202 HydrophobicContact CG-CD2 4.5Å; Q124-L202 HydrophobicContact CG-CG 4.35Å; Q124-L202 PolarHBondContact N-O 3.27Å; Q124-S204 PolarHBondContact NE2-OG 2.78Å; Q124-L298 PolarHBondContact NE2-O 3.49Å; Q124-L298 VanDerWaalsContact NE2-O 3.12Å; Q124-L298 VanDerWaalsContact OE1-N 3.13Å; Q124-T325 HydrophobicContact CG-CG2 4.43Å
125	G	82.6	Confident	90.1	Very high	75 Å²	75	35.5 Å²	35.5	77%	0.773	23%	0.226	S	C	*	.	S	Bend	trans	75.5	9.5	169.5	0	0	0	0	0	116.9
126	T	69.6	Low	90.1	Very high	73 Å²	73	36.5 Å²	36.5	45%	0.448	23%	0.233	S	C	.	.	S	Bend	trans	-76.3	-32.9	-179.2	50.2	0	0	0	0	114.2	Q123 Q124	Q123-T126 HydrophobicContact CB-CG2 4.22Å; Q123-T126 HydrophobicContact CG-CG2 3.7Å; Q123-T126 VanDerWaalsContact NE2-CG2 3.26Å; Q124-T126 PolarHBondContact O-N 2.78Å
127	T	64.7	Low	90.1	Very high	89 Å²	89	36.2 Å²	36.2	55%	0.546	23%	0.231	S	C	.	.	S	Bend	trans	-149.9	150.7	-178.1	47.9	0	0	0	0	110.4	G129	T127-G129 PolarHBondContact O-N 3.22Å
128	P	68	Low	90	Very high	139 Å²	139	39.3 Å²	39.3	90%	0.903	25%	0.246	S	C	*	.	S	Bend	trans	-58.3	126.7	169	-20	31.6	0	0	0	110.8
129	G	75.3	Confident	89.8	Confident	48 Å²	48	41.5 Å²	41.5	50%	0.495	26%	0.256	S	S	.	.	S	Bend	trans	117.4	-162.3	178.9	0	0	0	0	0	114.1	T127	T127-G129 PolarHBondContact O-N 3.22Å
130	T	78.2	Confident	89.6	Confident	83 Å²	83	45.2 Å²	45.2	51%	0.509	29%	0.294	S	S	.	.	S	Bend	trans	-71.7	125.7	-179.9	-47.5	0	0	0	0	110.4
131	P	88.6	Confident	89.4	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.058	30%	0.304	C	S	.	.			trans	-54.7	149.4	174.2	-28.5	35.8	0	0	0	112.3	A122 L133	A122-P131 HydrophobicContact CB-CB 3.88Å; P131-L133 PolarHBondContact O-N 3.1Å
132	K	94.3	Very high	89.2	Confident	137 Å²	137	49.8 Å²	49.8	60%	0.596	33%	0.333	S	S	*	.			trans	-61.2	111.5	166.8	-68.4	-175.7	177.8	-172.6	0	108.3	R134	K132-R134 VanDerWaalsContact O-CD 3.25Å; K132-R134 WeakPolarHBondContact O-CD 3.38Å; K132-R134 PolarHBondContact O-NH1 3.23Å
133	L	97.3	Very high	89.2	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.089	34%	0.335	C	S	.	.			trans	-92.9	121.5	174.5	-178.4	69.3	0	0	0	108.9	M120 A122 P131 F206 T274 V277 K278	M120-L133 HydrophobicContact CB-CD1 3.89Å; M120-L133 HydrophobicContact CB-CG 4.48Å; M120-L133 HydrophobicContact SD-CD1 4.36Å; M120-L133 HydrophobicContact SD-CD2 3.92Å; M120-L133 HydrophobicContact SD-CG 4.31Å; A122-L133 HydrophobicContact CB-CD1 4.27Å; P131-L133 PolarHBondContact O-N 3.1Å; L133-F206 HydrophobicContact CD1-CD2 3.99Å; L133-F206 HydrophobicContact CD1-CE2 3.71Å; L133-F206 HydrophobicContact CD1-CZ 4.25Å; L133-T274 HydrophobicContact CD2-CG2 4.18Å; L133-V277 HydrophobicContact CD1-CG1 4.49Å; L133-V277 HydrophobicContact CD2-CB 3.8Å; L133-V277 HydrophobicContact CD2-CG1 3.57Å; L133-K278 HydrophobicContact CB-CG 4.27Å; L133-K278 HydrophobicContact CD2-CG 3.96Å
134	R	98.3	Very high	89.1	Confident	20 Å²	20	50.1 Å²	50.1	8%	0.075	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-101.9	135.1	179.8	-64.7	70.7	164.4	-160.2	-11.5	109	Y104 M120 W121 K132 V143 D163	Y104-R134 HydrophobicContact CE2-CB 4.5Å; M120-R134 WeakPolarHBondContact CA-O 3.4Å; M120-R134 VanDerWaalsContact CB-O 3.25Å; M120-R134 WeakPolarHBondContact CB-O 3.4Å; W121-R134 HydrophobicContact CD2-CB 3.58Å; W121-R134 HydrophobicContact CD2-CG 4.24Å; W121-R134 HydrophobicContact CE3-CB 3.69Å; W121-R134 HydrophobicContact CG-CB 4.37Å; W121-R134 HydrophobicContact CH2-CB 3.47Å; W121-R134 VanDerWaalsContact CH2-CB 3.47Å; W121-R134 HydrophobicContact CH2-CG 4.1Å; W121-R134 HydrophobicContact CZ2-CB 3.35Å; W121-R134 HydrophobicContact CZ2-CG 3.52Å; W121-R134 HydrophobicContact CZ3-CB 3.62Å; W121-R134 PolarHBondContact N-O 2.78Å; W121-R134 VanDerWaalsContact N-O 3.14Å; W121-R134 PolarHBondContact O-N 2.89Å; K132-R134 VanDerWaalsContact O-CD 3.25Å; K132-R134 WeakPolarHBondContact O-CD 3.38Å; K132-R134 PolarHBondContact O-NH1 3.23Å; R134-V143 HydrophobicContact CG-CG2 3.87Å; R134-D163 IonicContact CZ-OD1 2.74Å; R134-D163 IonicContact CZ-OD2 2.82Å; R134-D163 IonicContact NE-OD1 3.65Å; R134-D163 IonicContact NE-OD2 2.81Å; R134-D163 PolarHBondContact NE-OD2 2.98Å; R134-D163 IonicContact NH1-OD2 3.31Å; R134-D163 IonicContact NH2-OD1 2.82Å; R134-D163 PolarHBondContact NH2-OD1 3.16Å; R134-D163 IonicContact NH2-OD2 3.57Å; R134-D163 PolarHBondContact NH2-OD2 2.99Å
135	H	98.6	Very high	89.2	Confident	5 Å²	5	51.1 Å²	51.1	2%	0.023	35%	0.351	C	S	.	.			trans	-150.4	-62.4	-178	175.1	-143.2	0	0	0	111.1	Y104 M120 Y208 T274	Y104-H135 WeakPolarHBondContact CD2-O 3.23Å; Y104-H135 PolarHBondContact N-O 3.07Å; M120-H135 HydrophobicContact CB-CB 4.46Å; M120-H135 HydrophobicContact CE-CB 4.34Å; M120-H135 HydrophobicContact CG-CB 3.83Å; M120-H135 HydrophobicContact SD-CB 4.12Å; H135-Y208 AromaticContact CD2-CE1 3.99Å; H135-Y208 AromaticContact NE2-CE1 3.5Å; H135-Y208 AromaticContact NE2-CZ 3.52Å; H135-Y208 PolarHBondContact NE2-OH 2.96Å; H135-T274 HydrophobicContact CB-CG2 4.44Å; H135-T274 PolarHBondContact ND1-OG1 2.88Å
136	T	98.1	Very high	90	Very high	23 Å²	23	48 Å²	48	14%	0.141	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-94.7	150.6	176.6	49.8	0	0	0	0	111.3	H102 Y104 E138 R497	H102-T136 CarbonylContact O-C 3.56Å; H102-T136 VanDerWaalsContact O-CA 3.27Å; H102-T136 WeakPolarHBondContact O-CA 3.37Å; Y104-T136 WeakPolarHBondContact CE2-O 3.35Å; T136-E138 VanDerWaalsContact C-N 3.33Å; T136-E138 WeakPolarHBondContact CB-OE1 3.42Å; T136-E138 PolarHBondContact O-N 3.3Å; T136-E138 PolarHBondContact OG1-OE1 3.03Å; T136-R497 PolarHBondContact OG1-NH2 3.38Å; T136-R497 VanDerWaalsContact OG1-NH2 3.16Å
137	C	97.5	Very high	91.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	30%	0.303	C	S	.	.			trans	-73.7	75.6	-176.9	-64.8	0	0	0	0	112.1	H102 Y104 Y146 S442	H102-C137 PolarHBondContact CE1-O 2.9Å; H102-C137 PolarHBondContact O-N 3Å; Y104-C137 HydrophobicContact CE1-CB 4.44Å; C137-Y146 WeakPolarHBondContact CB-OH 3.41Å; C137-S442 WeakPolarHBondContact O-CA 3.26Å; C137-S442 VanDerWaalsContact O-CB 3.27Å; C137-S442 WeakPolarHBondContact O-CB 3.43Å
138	E	96.2	Very high	93	Very high	64 Å²	64	41.3 Å²	41.3	30%	0.299	28%	0.278	S	S	.	.			trans	-81.9	128.6	175.9	-53.3	-52.9	142.6	0	0	111	H102 T136 G140 D141 R497	H102-E138 IonicContact NE2-OE1 3.92Å; T136-E138 VanDerWaalsContact C-N 3.33Å; T136-E138 WeakPolarHBondContact CB-OE1 3.42Å; T136-E138 PolarHBondContact O-N 3.3Å; T136-E138 PolarHBondContact OG1-OE1 3.03Å; E138-G140 PolarHBondContact O-N 3.46Å; E138-G140 VanDerWaalsContact O-N 3.1Å; E138-D141 HydrophobicContact CB-CB 3.99Å; E138-D141 PolarHBondContact O-N 3.27Å; E138-D141 VanDerWaalsContact O-OD1 3.11Å; E138-R497 IonicContact OE1-CZ 3.26Å; E138-R497 IonicContact OE1-NH1 2.61Å; E138-R497 PolarHBondContact OE1-NH1 3Å; E138-R497 IonicContact OE1-NH2 3.68Å; E138-R497 PolarHBondContact OE1-NH2 3.48Å; E138-R497 IonicContact OE2-CZ 3.62Å; E138-R497 IonicContact OE2-NH1 3.88Å; E138-R497 PolarHBondContact OE2-NH1 2.8Å
139	Q	94.4	Very high	94.4	Very high	46 Å²	46	38 Å²	38	22%	0.215	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.5	178	167.7	130.1	-23.5	0	0	113	F443 G818 R820	Q139-F443 HydrophobicContact CB-CD2 3.92Å; Q139-F443 HydrophobicContact CB-CE2 3.44Å; Q139-F443 VanDerWaalsContact CB-CE2 3.44Å; Q139-F443 HydrophobicContact CB-CZ 4.34Å; Q139-F443 HydrophobicContact CG-CD2 4.25Å; Q139-F443 HydrophobicContact CG-CE2 3.54Å; Q139-F443 HydrophobicContact CG-CZ 4.48Å; Q139-G818 PolarHBondContact NE2-O 2.73Å; Q139-R820 PolarHBondContact O-NH1 3.36Å; Q139-R820 PolarHBondContact O-NH2 3.29Å; Q139-R820 VanDerWaalsContact OE1-NH1 3.12Å; Q139-R820 PolarHBondContact OE1-O 2.86Å; Q139-R820 VanDerWaalsContact OE1-O 3.12Å
140	G	94.3	Very high	95.5	Very high	79 Å²	79	35.9 Å²	35.9	81%	0.814	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	11.2	-173.9	0	0	0	0	0	116.5	E138 G142	E138-G140 PolarHBondContact O-N 3.46Å; E138-G140 VanDerWaalsContact O-N 3.1Å; G140-G142 VanDerWaalsContact C-N 3.33Å
141	D	94.7	Very high	96.5	Very high	36 Å²	36	32.1 Å²	32.1	19%	0.193	20%	0.204	C	C	.	.	S	Bend	trans	-80.1	-12.9	-178.7	65.7	3.6	0	0	0	114.7	Y104 E138 V143	Y104-D141 PolarHBondContact OH-OD2 3.18Å; E138-D141 HydrophobicContact CB-CB 3.99Å; E138-D141 PolarHBondContact O-N 3.27Å; E138-D141 VanDerWaalsContact O-OD1 3.11Å; D141-V143 WeakPolarHBondContact OD1-CB 3.39Å; D141-V143 PolarHBondContact OD1-N 2.82Å
142	G	94.8	Very high	97	Very high	60 Å²	60	32.3 Å²	32.3	62%	0.619	20%	0.204	S	C	*	.	S	Bend	trans	95.5	3.1	179.9	0	0	0	0	0	114.6	G140	G140-G142 VanDerWaalsContact C-N 3.33Å
143	V	97.1	Very high	97.2	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.042	18%	0.18	C	C	.	.			trans	-81.4	137.6	173.1	179	0	0	0	0	110.3	Y104 W121 R134 D141 Y146 I161 Q162 D163	Y104-V143 HydrophobicContact CE1-CG1 3.9Å; Y104-V143 WeakPolarHBondContact OH-CB 3.35Å; W121-V143 HydrophobicContact CZ2-CG1 4.41Å; W121-V143 HydrophobicContact CZ2-CG2 4.11Å; R134-V143 HydrophobicContact CG-CG2 3.87Å; D141-V143 WeakPolarHBondContact OD1-CB 3.39Å; D141-V143 PolarHBondContact OD1-N 2.82Å; V143-Y146 HydrophobicContact CG1-CD1 4.27Å; V143-I161 HydrophobicContact CG1-CG2 3.46Å; V143-I161 VanDerWaalsContact CG1-CG2 3.46Å; V143-Q162 WeakPolarHBondContact CG1-O 3.4Å; V143-D163 HydrophobicContact CG1-CB 4.47Å; V143-D163 HydrophobicContact CG2-CB 4.19Å
144	G	94.6	Very high	97.2	Very high	30 Å²	30	27.3 Å²	27.3	31%	0.309	19%	0.186	S	C	.	.			trans	150.4	149.9	175.2	0	0	0	0	0	113.3	Q162	G144-Q162 PolarHBondContact N-O 3.5Å
145	P	97.1	Very high	97.2	Very high	34 Å²	34	27.8 Å²	27.8	22%	0.221	19%	0.192	C	C	.	.	S	Bend	cis	-70	155.3	-2.6	28.3	-35.8	0	0	0	114.3	Q162 F804	P145-Q162 HydrophobicContact CG-CG 4.3Å; P145-Q162 PolarHBondContact O-N 3.43Å; P145-F804 VanDerWaalsContact CA-CZ 3.5Å; P145-F804 HydrophobicContact CB-CD2 4.48Å; P145-F804 HydrophobicContact CB-CE2 4.14Å; P145-F804 HydrophobicContact CB-CZ 4.23Å
146	Y	98.5	Very high	97.2	Very high	8 Å²	8	27.6 Å²	27.6	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.5	169.9	72.4	-86.9	0	0	0	111.4	Y104 C137 V143 H160 F804 P821	Y104-Y146 HydrophobicContact CD1-CD2 4.09Å; Y104-Y146 HydrophobicContact CD1-CE2 4.17Å; Y104-Y146 HydrophobicContact CD1-CG 4.4Å; Y104-Y146 AromaticContact CE1-CD1 3.89Å; Y104-Y146 HydrophobicContact CE1-CD1 3.89Å; Y104-Y146 AromaticContact CE1-CD2 3.93Å; Y104-Y146 HydrophobicContact CE1-CD2 3.93Å; Y104-Y146 AromaticContact CE1-CE1 3.83Å; Y104-Y146 HydrophobicContact CE1-CE1 3.83Å; Y104-Y146 AromaticContact CE1-CE2 3.87Å; Y104-Y146 HydrophobicContact CE1-CE2 3.87Å; Y104-Y146 AromaticContact CE1-CG 3.94Å; Y104-Y146 HydrophobicContact CE1-CG 3.94Å; Y104-Y146 AromaticContact CE1-CZ 3.82Å; C137-Y146 WeakPolarHBondContact CB-OH 3.41Å; V143-Y146 HydrophobicContact CG1-CD1 4.27Å; Y146-H160 WeakPolarHBondContact CA-O 3.39Å; Y146-H160 WeakPolarHBondContact CB-O 3.44Å; Y146-F804 AromaticContact CD1-CE1 3.93Å; Y146-F804 HydrophobicContact CD1-CE1 3.93Å; Y146-F804 AromaticContact CD1-CZ 3.88Å; Y146-F804 HydrophobicContact CD1-CZ 3.88Å; Y146-F804 HydrophobicContact CE1-CE1 4.1Å; Y146-F804 HydrophobicContact CE1-CZ 4.11Å; Y146-F804 HydrophobicContact CG-CE1 4.44Å; Y146-F804 WeakPolarHBondContact O-CE1 3.14Å; Y146-P821 HydrophobicContact CE2-CG 3.86Å; Y146-P821 VanDerWaalsContact CZ-CD 3.47Å; Y146-P821 WeakPolarHBondContact OH-CD 3.45Å
147	G	98	Very high	97.2	Very high	17 Å²	17	26.5 Å²	26.5	18%	0.175	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	167.6	-179.2	0	0	0	0	0	112.8	Q159 H160	G147-Q159 WeakPolarHBondContact O-CA 3.4Å; G147-Q159 WeakPolarHBondContact O-CB 3.45Å; G147-Q159 WeakPolarHBondContact O-CG 3.41Å; G147-H160 PolarHBondContact N-O 2.82Å; G147-H160 VanDerWaalsContact N-O 3.09Å; G147-H160 PolarHBondContact O-N 3.41Å; G147-H160 VanDerWaalsContact O-N 3.1Å
148	W	98.8	Very high	97.3	Very high	6 Å²	6	28.6 Å²	28.6	2%	0.023	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.5	174.9	-65.9	102.3	0	0	0	109.4	T98 F105 H151 Q159 F172 S397 G400	T98-W148 HydrophobicContact CG2-CH2 3.93Å; T98-W148 HydrophobicContact CG2-CZ2 4.01Å; F105-W148 AromaticContact CD2-CH2 3.92Å; F105-W148 HydrophobicContact CD2-CH2 3.92Å; F105-W148 HydrophobicContact CD2-CZ2 4.46Å; F105-W148 AromaticContact CE2-CH2 3.86Å; F105-W148 HydrophobicContact CE2-CH2 3.86Å; W148-H151 HydrophobicContact CB-CB 4.21Å; W148-H151 HydrophobicContact CD2-CB 4.32Å; W148-H151 AromaticContact CD2-CD2 3.62Å; W148-H151 AromaticContact CE2-CD2 3.74Å; W148-H151 HydrophobicContact CE3-CB 4.31Å; W148-H151 AromaticContact CE3-CD2 3.6Å; W148-H151 HydrophobicContact CG-CB 4.3Å; W148-H151 AromaticContact CH2-CD2 3.85Å; W148-H151 AromaticContact CZ2-CD2 3.86Å; W148-H151 AromaticContact CZ3-CD2 3.73Å; W148-Q159 HydrophobicContact CD2-CB 3.74Å; W148-Q159 HydrophobicContact CE3-CB 3.45Å; W148-Q159 VanDerWaalsContact CE3-CB 3.45Å; W148-Q159 HydrophobicContact CG-CB 4.34Å; W148-Q159 HydrophobicContact CH2-CB 4.36Å; W148-Q159 HydrophobicContact CZ3-CB 3.78Å; W148-F172 HydrophobicContact CH2-CD1 4.07Å; W148-F172 AromaticContact CH2-CE1 3.92Å; W148-F172 HydrophobicContact CH2-CE1 3.92Å; W148-F172 HydrophobicContact CZ3-CD1 4.14Å; W148-F172 AromaticContact CZ3-CE1 3.97Å; W148-F172 HydrophobicContact CZ3-CE1 3.97Å; W148-S397 PolarHBondContact N-OG 3.33Å; W148-S397 VanDerWaalsContact N-OG 3.08Å; W148-S397 PolarHBondContact O-OG 2.93Å; W148-G400 PolarHBondContact NE1-O 2.86Å
149	E	98	Very high	97.4	Very high	69 Å²	69	25.6 Å²	25.6	32%	0.322	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-44.3	169.4	-175.3	-166.5	-163.2	0	0	109.6	R158 H160 Q392 S396	E149-R158 PolarHBondContact N-O 2.83Å; E149-R158 WeakPolarHBondContact OE2-CD 3.48Å; E149-H160 IonicContact OE2-CD2 3.35Å; E149-H160 IonicContact OE2-NE2 2.81Å; E149-H160 PolarHBondContact OE2-NE2 3.32Å; E149-Q392 VanDerWaalsContact O-CG 3.32Å; E149-Q392 WeakPolarHBondContact O-CG 3.34Å; E149-Q392 PolarHBondContact O-NE2 2.85Å; E149-S396 PolarHBondContact O-OG 3.39Å
150	F	98.8	Very high	97.6	Very high	4 Å²	4	26 Å²	26	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.1	174.8	-63.4	-85.2	0	0	0	109.2	F156 G157 R158 F368 R369 Q392 S396	F150-F156 HydrophobicContact CB-CE1 4.48Å; F150-F156 HydrophobicContact CB-CE2 3.78Å; F150-F156 HydrophobicContact CB-CZ 3.55Å; F150-F156 HydrophobicContact CD1-CZ 4.18Å; F150-F156 HydrophobicContact CG-CE2 4.32Å; F150-F156 HydrophobicContact CG-CZ 4.05Å; F150-G157 CarbonylContact O-C 3.56Å; F150-G157 WeakPolarHBondContact O-CA 3.34Å; F150-R158 HydrophobicContact CB-CB 4.34Å; F150-R158 HydrophobicContact CD2-CB 4.24Å; F150-R158 PolarHBondContact N-O 2.65Å; F150-R158 VanDerWaalsContact N-O 3.12Å; F150-R158 PolarHBondContact O-N 2.94Å; F150-F368 HydrophobicContact CD1-CB 4.42Å; F150-F368 AromaticContact CD1-CD1 3.51Å; F150-F368 HydrophobicContact CD1-CD1 3.51Å; F150-F368 AromaticContact CD1-CE1 3.95Å; F150-F368 HydrophobicContact CD1-CE1 3.95Å; F150-F368 AromaticContact CD1-CG 3.98Å; F150-F368 HydrophobicContact CD1-CG 3.98Å; F150-F368 AromaticContact CE1-CD1 3.9Å; F150-F368 HydrophobicContact CE1-CD1 3.9Å; F150-F368 HydrophobicContact CE1-CE1 4.41Å; F150-R369 HydrophobicContact CE1-CG 3.99Å; F150-Q392 VanDerWaalsContact CD1-NE2 3.27Å; F150-Q392 VanDerWaalsContact CE1-CD 3.5Å; F150-S396 WeakPolarHBondContact CA-OG 3.44Å
151	H	98.9	Very high	97.8	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.019	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	119.3	166.8	-162.5	-72.1	0	0	0	107.9	T98 W148 G153 F172 S396 L399	T98-H151 PolarHBondContact OG1-CE1 3.05Å; T98-H151 PolarHBondContact OG1-NE2 3.23Å; W148-H151 HydrophobicContact CB-CB 4.21Å; W148-H151 HydrophobicContact CD2-CB 4.32Å; W148-H151 AromaticContact CD2-CD2 3.62Å; W148-H151 AromaticContact CE2-CD2 3.74Å; W148-H151 HydrophobicContact CE3-CB 4.31Å; W148-H151 AromaticContact CE3-CD2 3.6Å; W148-H151 HydrophobicContact CG-CB 4.3Å; W148-H151 AromaticContact CH2-CD2 3.85Å; W148-H151 AromaticContact CZ2-CD2 3.86Å; W148-H151 AromaticContact CZ3-CD2 3.73Å; H151-G153 WeakPolarHBondContact ND1-CA 3.49Å; H151-G153 PolarHBondContact ND1-N 3.31Å; H151-F172 AromaticContact CD2-CE1 3.74Å; H151-F172 AromaticContact NE2-CE1 3.55Å; H151-F172 AromaticContact NE2-CZ 3.62Å; H151-S396 VanDerWaalsContact CB-O 3.27Å; H151-S396 WeakPolarHBondContact CB-O 3.37Å; H151-S396 PolarHBondContact N-OG 3.46Å; H151-S396 VanDerWaalsContact N-OG 3.16Å; H151-L399 WeakPolarHBondContact O-CD1 3.31Å
152	D	98.7	Very high	97.9	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.07	15%	0.148	C	C	.	.			trans	-89.7	-5.2	-178	70.3	-17.4	0	0	0	113.3	L154 S155 F156 F368 W462	D152-L154 PolarHBondContact O-N 2.91Å; D152-L154 PolarHBondContact OD1-N 2.93Å; D152-S155 PolarHBondContact OD1-N 3.01Å; D152-S155 WeakPolarHBondContact OD2-CB 3.42Å; D152-S155 PolarHBondContact OD2-N 3.41Å; D152-S155 PolarHBondContact OD2-OG 2.98Å; D152-F156 HydrophobicContact CB-CD1 4.29Å; D152-F156 HydrophobicContact CB-CE1 4.32Å; D152-F156 PolarHBondContact N-O 3.36Å; D152-F156 PolarHBondContact OD1-N 3.42Å; D152-F156 VanDerWaalsContact OD1-N 3.08Å; D152-F156 VanDerWaalsContact OD1-O 3.11Å; D152-F368 HydrophobicContact CB-CD2 4.06Å; D152-F368 HydrophobicContact CB-CE2 4.49Å; D152-W462 HydrophobicContact CB-CZ2 4.09Å; D152-W462 PolarHBondContact O-NE1 2.89Å
153	G	98.3	Very high	98	Very high	8 Å²	8	21.4 Å²	21.4	8%	0.082	12%	0.12	C	C	.	.	S	Bend	trans	81.6	-5	-176.9	0	0	0	0	0	113.4	H151	H151-G153 WeakPolarHBondContact ND1-CA 3.49Å; H151-G153 PolarHBondContact ND1-N 3.31Å
154	L	97.3	Very high	97.7	Very high	40 Å²	40	24.3 Å²	24.3	21%	0.209	15%	0.152	C	C	.	.	S	Bend	trans	-131.4	-77.4	-170.7	-67	-179.9	0	0	0	111.1	L94 D152 K174 D463 L466	L94-L154 HydrophobicContact CD2-CD2 3.32Å; L94-L154 HydrophobicContact CG-CD2 4.09Å; D152-L154 PolarHBondContact O-N 2.91Å; D152-L154 PolarHBondContact OD1-N 2.93Å; L154-K174 WeakPolarHBondContact O-CE 3.27Å; L154-K174 PolarHBondContact O-NZ 3.42Å; L154-D463 WeakPolarHBondContact CD1-OD2 3.49Å; L154-L466 HydrophobicContact CD2-CD2 4.26Å
155	S	97.9	Very high	97.5	Very high	30 Å²	30	24.9 Å²	24.9	21%	0.21	15%	0.154	C	C	.	.	S	Bend	trans	-98.8	-29.5	-161.9	69.2	0	0	0	0	115.4	D152 V173 K174 H364	D152-S155 PolarHBondContact OD1-N 3.01Å; D152-S155 WeakPolarHBondContact OD2-CB 3.42Å; D152-S155 PolarHBondContact OD2-N 3.41Å; D152-S155 PolarHBondContact OD2-OG 2.98Å; S155-V173 CarbonylContact O-C 3.58Å; S155-K174 PolarHBondContact O-N 3.42Å; S155-H364 PolarHBondContact OG-CE1 2.93Å; S155-H364 VanDerWaalsContact OG-CE1 3.26Å; S155-H364 PolarHBondContact OG-ND1 3.41Å
156	F	98.7	Very high	97.4	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	165.7	-174.1	99.4	-67.3	0	0	0	113.5	F150 D152 F172 V173 H364 A365 F368	F150-F156 HydrophobicContact CB-CE1 4.48Å; F150-F156 HydrophobicContact CB-CE2 3.78Å; F150-F156 HydrophobicContact CB-CZ 3.55Å; F150-F156 HydrophobicContact CD1-CZ 4.18Å; F150-F156 HydrophobicContact CG-CE2 4.32Å; F150-F156 HydrophobicContact CG-CZ 4.05Å; D152-F156 HydrophobicContact CB-CD1 4.29Å; D152-F156 HydrophobicContact CB-CE1 4.32Å; D152-F156 PolarHBondContact N-O 3.36Å; D152-F156 PolarHBondContact OD1-N 3.42Å; D152-F156 VanDerWaalsContact OD1-N 3.08Å; D152-F156 VanDerWaalsContact OD1-O 3.11Å; F156-F172 VanDerWaalsContact CA-O 3.29Å; F156-F172 WeakPolarHBondContact CA-O 3.49Å; F156-F172 WeakPolarHBondContact CB-O 3.38Å; F156-V173 HydrophobicContact CB-CG2 4.32Å; F156-H364 HydrophobicContact CB-CB 3.96Å; F156-H364 HydrophobicContact CD1-CB 3.67Å; F156-H364 HydrophobicContact CD2-CB 3.78Å; F156-H364 HydrophobicContact CE1-CB 4.08Å; F156-H364 HydrophobicContact CE2-CB 4.17Å; F156-H364 HydrophobicContact CG-CB 3.5Å; F156-H364 VanDerWaalsContact CG-CB 3.5Å; F156-H364 HydrophobicContact CZ-CB 4.29Å; F156-A365 HydrophobicContact CE2-CB 4.25Å; F156-A365 HydrophobicContact CZ-CB 4.39Å; F156-F368 HydrophobicContact CE1-CB 3.77Å; F156-F368 HydrophobicContact CE1-CD2 4.06Å; F156-F368 HydrophobicContact CE1-CG 4.2Å; F156-F368 HydrophobicContact CZ-CB 3.91Å; F156-F368 HydrophobicContact CZ-CG 4.32Å
157	G	98.8	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	158.4	167.5	0	0	0	0	0	113.5	F150 E171 F172	F150-G157 CarbonylContact O-C 3.56Å; F150-G157 WeakPolarHBondContact O-CA 3.34Å; G157-E171 CarbonylContact O-C 3.52Å; G157-E171 VanDerWaalsContact O-CA 3.25Å; G157-E171 WeakPolarHBondContact O-CA 3.43Å; G157-F172 VanDerWaalsContact N-CE1 3.26Å; G157-F172 PolarHBondContact N-O 3.36Å; G157-F172 VanDerWaalsContact N-O 3.12Å; G157-F172 PolarHBondContact O-N 2.98Å
158	R	98.9	Very high	97.4	Very high	45 Å²	45	25.5 Å²	25.5	17%	0.17	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.3	174.9	175.6	-177.6	-67.2	150.9	4.5	109.2	E149 F150 T169 E171	E149-R158 PolarHBondContact N-O 2.83Å; E149-R158 WeakPolarHBondContact OE2-CD 3.48Å; F150-R158 HydrophobicContact CB-CB 4.34Å; F150-R158 HydrophobicContact CD2-CB 4.24Å; F150-R158 PolarHBondContact N-O 2.65Å; F150-R158 VanDerWaalsContact N-O 3.12Å; F150-R158 PolarHBondContact O-N 2.94Å; R158-T169 HydrophobicContact CG-CG2 4.06Å; R158-E171 HydrophobicContact CB-CG 4.09Å; R158-E171 HydrophobicContact CG-CG 3.91Å; R158-E171 IonicContact CZ-OE1 3.61Å; R158-E171 VanDerWaalsContact CZ-OE1 3.29Å; R158-E171 IonicContact NE-OE1 2.74Å; R158-E171 PolarHBondContact NE-OE1 3.37Å; R158-E171 IonicContact NH2-OE1 3.93Å; R158-E171 PolarHBondContact NH2-OE1 3.45Å
159	Q	98.8	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.6	177.4	154.6	-178	-119.1	0	0	110.1	Y104 G147 W148 I161 T169 T170	Y104-Q159 PolarHBondContact O-NE2 2.61Å; Y104-Q159 PolarHBondContact O-OE1 3.17Å; G147-Q159 WeakPolarHBondContact O-CA 3.4Å; G147-Q159 WeakPolarHBondContact O-CB 3.45Å; G147-Q159 WeakPolarHBondContact O-CG 3.41Å; W148-Q159 HydrophobicContact CD2-CB 3.74Å; W148-Q159 HydrophobicContact CE3-CB 3.45Å; W148-Q159 VanDerWaalsContact CE3-CB 3.45Å; W148-Q159 HydrophobicContact CG-CB 4.34Å; W148-Q159 HydrophobicContact CH2-CB 4.36Å; W148-Q159 HydrophobicContact CZ3-CB 3.78Å; Q159-I161 HydrophobicContact CG-CD1 4.4Å; Q159-I161 HydrophobicContact CG-CG1 3.93Å; Q159-T169 CarbonylContact O-C 3.52Å; Q159-T169 WeakPolarHBondContact O-CA 3.45Å; Q159-T170 WeakPolarHBondContact CB-OG1 3.41Å; Q159-T170 PolarHBondContact N-O 2.7Å; Q159-T170 PolarHBondContact NE2-OG1 3.16Å; Q159-T170 PolarHBondContact O-N 3.08Å
160	H	98.5	Very high	97.4	Very high	54 Å²	54	22.4 Å²	22.4	25%	0.25	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.6	170.5	-61.3	-56.7	0	0	0	110.4	Y146 G147 E149 L168 T169	Y146-H160 WeakPolarHBondContact CA-O 3.39Å; Y146-H160 WeakPolarHBondContact CB-O 3.44Å; G147-H160 PolarHBondContact N-O 2.82Å; G147-H160 VanDerWaalsContact N-O 3.09Å; G147-H160 PolarHBondContact O-N 3.41Å; G147-H160 VanDerWaalsContact O-N 3.1Å; E149-H160 IonicContact OE2-CD2 3.35Å; E149-H160 IonicContact OE2-NE2 2.81Å; E149-H160 PolarHBondContact OE2-NE2 3.32Å; H160-L168 CarbonylContact C-O 3.57Å; H160-L168 WeakPolarHBondContact CA-O 3.41Å; H160-T169 PolarHBondContact ND1-OG1 3.03Å
161	I	98.7	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120	178.3	-53	165.8	0	0	0	107.8	Y104 W121 V143 Q159 L168 T170	Y104-I161 HydrophobicContact CD1-CD1 4.29Å; W121-I161 HydrophobicContact CH2-CD1 4.41Å; W121-I161 HydrophobicContact CH2-CG2 4.13Å; W121-I161 HydrophobicContact CZ2-CG2 4.05Å; V143-I161 HydrophobicContact CG1-CG2 3.46Å; V143-I161 VanDerWaalsContact CG1-CG2 3.46Å; Q159-I161 HydrophobicContact CG-CD1 4.4Å; Q159-I161 HydrophobicContact CG-CG1 3.93Å; I161-L168 HydrophobicContact CB-CB 4.23Å; I161-L168 PolarHBondContact N-O 2.97Å; I161-L168 PolarHBondContact O-N 3.31Å; I161-T170 HydrophobicContact CD1-CG2 4.2Å
162	Q	97.8	Very high	97.4	Very high	72 Å²	72	22.9 Å²	22.9	34%	0.336	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.8	171.7	-61.1	-175	16.9	0	0	109.8	V143 G144 P145	V143-Q162 WeakPolarHBondContact CG1-O 3.4Å; G144-Q162 PolarHBondContact N-O 3.5Å; P145-Q162 HydrophobicContact CG-CG 4.3Å; P145-Q162 PolarHBondContact O-N 3.43Å
163	D	95.8	Very high	97.4	Very high	7 Å²	7	22.4 Å²	22.4	4%	0.037	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	87.3	180	176.8	21.8	0	0	0	109.5	W121 R134 V143 A165 L166	W121-D163 HydrophobicContact CZ2-CB 4.49Å; W121-D163 PolarHBondContact NE1-OD2 2.82Å; R134-D163 IonicContact CZ-OD1 2.74Å; R134-D163 IonicContact CZ-OD2 2.82Å; R134-D163 IonicContact NE-OD1 3.65Å; R134-D163 IonicContact NE-OD2 2.81Å; R134-D163 PolarHBondContact NE-OD2 2.98Å; R134-D163 IonicContact NH1-OD2 3.31Å; R134-D163 IonicContact NH2-OD1 2.82Å; R134-D163 PolarHBondContact NH2-OD1 3.16Å; R134-D163 IonicContact NH2-OD2 3.57Å; R134-D163 PolarHBondContact NH2-OD2 2.99Å; V143-D163 HydrophobicContact CG1-CB 4.47Å; V143-D163 HydrophobicContact CG2-CB 4.19Å; D163-A165 PolarHBondContact O-N 3.34Å; D163-L166 PolarHBondContact N-O 2.74Å; D163-L166 PolarHBondContact O-N 3.1Å
164	G	91.6	Very high	97.5	Very high	68 Å²	68	23 Å²	23	70%	0.701	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	-110	-177.2	0	0	0	0	0	112.3	L166	G164-L166 VanDerWaalsContact C-N 3.3Å
165	A	90.4	Very high	97.4	Very high	43 Å²	43	23.3 Å²	23.3	36%	0.355	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.3	-179	0	0	0	0	0	113.7	D163 Q193	D163-A165 PolarHBondContact O-N 3.34Å; A165-Q193 PolarHBondContact O-N 2.94Å
166	L	94.8	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.1	-176.4	-56.4	178.5	0	0	0	111	Q123 D163 G164 L168 V190 P201 V203 V328	Q123-L166 HydrophobicContact CB-CD1 4.09Å; Q123-L166 HydrophobicContact CG-CD1 4.35Å; D163-L166 PolarHBondContact N-O 2.74Å; D163-L166 PolarHBondContact O-N 3.1Å; G164-L166 VanDerWaalsContact C-N 3.3Å; L166-L168 HydrophobicContact CB-CD1 3.81Å; L166-V190 HydrophobicContact CD2-CG1 4.29Å; L166-P201 HydrophobicContact CD2-CB 3.87Å; L166-P201 HydrophobicContact CD2-CG 3.95Å; L166-V203 HydrophobicContact CD1-CG1 4.45Å; L166-V203 HydrophobicContact CD1-CG2 3.73Å; L166-V203 HydrophobicContact CD2-CG2 3.7Å; L166-V203 HydrophobicContact CG-CG2 4.4Å; L166-V328 HydrophobicContact CD2-CG1 4.21Å
167	K	97.1	Very high	96.9	Very high	71 Å²	71	27.6 Å²	27.6	31%	0.309	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.6	162.2	-177	-173.1	175.3	-164.2	0	108.1	E191	K167-E191 PolarHBondContact N-O 2.84Å; K167-E191 PolarHBondContact O-N 3.39Å
168	L	98.6	Very high	96.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139	172.8	-63.2	78.9	0	0	0	109	W121 H160 I161 L166 T189 V190 L205	W121-L168 HydrophobicContact CB-CD2 4.37Å; W121-L168 HydrophobicContact CD2-CD2 3.84Å; W121-L168 HydrophobicContact CE3-CD2 4.34Å; W121-L168 HydrophobicContact CG-CD2 3.86Å; H160-L168 CarbonylContact C-O 3.57Å; H160-L168 WeakPolarHBondContact CA-O 3.41Å; I161-L168 HydrophobicContact CB-CB 4.23Å; I161-L168 PolarHBondContact N-O 2.97Å; I161-L168 PolarHBondContact O-N 3.31Å; L166-L168 HydrophobicContact CB-CD1 3.81Å; L168-T189 CarbonylContact C-O 2.99Å; L168-T189 WeakPolarHBondContact CA-O 3.5Å; L168-V190 HydrophobicContact CG-CG1 4.36Å; L168-V190 HydrophobicContact CG-CG2 4.29Å; L168-L205 HydrophobicContact CD2-CD2 4.46Å
169	T	98.9	Very high	96.5	Very high	10 Å²	10	33.9 Å²	33.9	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.2	169.6	-57.5	0	0	0	0	108	R158 Q159 H160 E171 V188 T189	R158-T169 HydrophobicContact CG-CG2 4.06Å; Q159-T169 CarbonylContact O-C 3.52Å; Q159-T169 WeakPolarHBondContact O-CA 3.45Å; H160-T169 PolarHBondContact ND1-OG1 3.03Å; T169-E171 HydrophobicContact CG2-CG 3.95Å; T169-V188 WeakPolarHBondContact O-CA 3.41Å; T169-T189 PolarHBondContact N-O 2.96Å; T169-T189 PolarHBondContact O-N 3.41Å
170	T	98.9	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.9	178.9	60.5	0	0	0	0	109.2	F105 L119 Q159 I161 V188	F105-T170 HydrophobicContact CB-CG2 4.13Å; F105-T170 HydrophobicContact CD1-CG2 4.23Å; F105-T170 HydrophobicContact CG-CG2 4.1Å; L119-T170 HydrophobicContact CD2-CG2 3.83Å; Q159-T170 WeakPolarHBondContact CB-OG1 3.41Å; Q159-T170 PolarHBondContact N-O 2.7Å; Q159-T170 PolarHBondContact NE2-OG1 3.16Å; Q159-T170 PolarHBondContact O-N 3.08Å; I161-T170 HydrophobicContact CD1-CG2 4.2Å; T170-V188 HydrophobicContact CG2-CG1 4.36Å; T170-V188 HydrophobicContact CG2-CG2 4.42Å
171	E	98.9	Very high	96.2	Very high	16 Å²	16	34 Å²	34	8%	0.075	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.2	-175.5	-61.4	174.5	107.3	0	0	110.2	G157 R158 T169 W186 R187 L361	G157-E171 CarbonylContact O-C 3.52Å; G157-E171 VanDerWaalsContact O-CA 3.25Å; G157-E171 WeakPolarHBondContact O-CA 3.43Å; R158-E171 HydrophobicContact CB-CG 4.09Å; R158-E171 HydrophobicContact CG-CG 3.91Å; R158-E171 IonicContact CZ-OE1 3.61Å; R158-E171 VanDerWaalsContact CZ-OE1 3.29Å; R158-E171 IonicContact NE-OE1 2.74Å; R158-E171 PolarHBondContact NE-OE1 3.37Å; R158-E171 IonicContact NH2-OE1 3.93Å; R158-E171 PolarHBondContact NH2-OE1 3.45Å; T169-E171 HydrophobicContact CG2-CG 3.95Å; E171-W186 CarbonylContact O-C 3.54Å; E171-W186 VanDerWaalsContact O-CA 3.24Å; E171-W186 WeakPolarHBondContact O-CA 3.5Å; E171-R187 HydrophobicContact CB-CB 4.39Å; E171-R187 PolarHBondContact N-O 2.83Å; E171-R187 PolarHBondContact O-N 3.48Å; E171-L361 HydrophobicContact CB-CD1 4.25Å; E171-L361 HydrophobicContact CB-CD2 3.85Å; E171-L361 HydrophobicContact CG-CD2 4.46Å
172	F	98.9	Very high	96.1	Very high	2 Å²	2	34 Å²	34	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.7	168.7	77.6	-85.2	0	0	0	112.2	T98 F105 M107 W148 H151 F156 G157 K174 S185	T98-F172 HydrophobicContact CG2-CD1 4.09Å; T98-F172 HydrophobicContact CG2-CE1 3.74Å; T98-F172 HydrophobicContact CG2-CZ 4.22Å; F105-F172 HydrophobicContact CE2-CD1 4.25Å; F105-F172 HydrophobicContact CZ-CB 4.17Å; M107-F172 HydrophobicContact CE-CD2 4.15Å; M107-F172 HydrophobicContact CE-CE2 4.34Å; W148-F172 HydrophobicContact CH2-CD1 4.07Å; W148-F172 AromaticContact CH2-CE1 3.92Å; W148-F172 HydrophobicContact CH2-CE1 3.92Å; W148-F172 HydrophobicContact CZ3-CD1 4.14Å; W148-F172 AromaticContact CZ3-CE1 3.97Å; W148-F172 HydrophobicContact CZ3-CE1 3.97Å; H151-F172 AromaticContact CD2-CE1 3.74Å; H151-F172 AromaticContact NE2-CE1 3.55Å; H151-F172 AromaticContact NE2-CZ 3.62Å; F156-F172 VanDerWaalsContact CA-O 3.29Å; F156-F172 WeakPolarHBondContact CA-O 3.49Å; F156-F172 WeakPolarHBondContact CB-O 3.38Å; G157-F172 VanDerWaalsContact N-CE1 3.26Å; G157-F172 PolarHBondContact N-O 3.36Å; G157-F172 VanDerWaalsContact N-O 3.12Å; G157-F172 PolarHBondContact O-N 2.98Å; F172-K174 HydrophobicContact CD2-CG 4.27Å; F172-K174 HydrophobicContact CE2-CG 4.34Å; F172-S185 VanDerWaalsContact CA-O 3.23Å; F172-S185 WeakPolarHBondContact CA-O 3.45Å
173	V	98.9	Very high	96	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.4	165.2	178.2	0	0	0	0	108.1	S155 F156 W184 S185 L352 L357 A360 L361	S155-V173 CarbonylContact O-C 3.58Å; F156-V173 HydrophobicContact CB-CG2 4.32Å; V173-W184 VanDerWaalsContact O-CA 3.31Å; V173-W184 WeakPolarHBondContact O-CA 3.3Å; V173-S185 PolarHBondContact N-O 3.17Å; V173-S185 PolarHBondContact O-N 3.2Å; V173-L352 HydrophobicContact CB-CD2 4.1Å; V173-L352 HydrophobicContact CG1-CD2 3.93Å; V173-L357 HydrophobicContact CB-CD1 4.03Å; V173-L357 HydrophobicContact CG2-CD1 3.82Å; V173-A360 HydrophobicContact CG1-CB 4.27Å; V173-A360 HydrophobicContact CG2-CB 4.35Å; V173-L361 HydrophobicContact CG2-CD2 3.53Å; V173-L361 HydrophobicContact CG2-CG 3.81Å
174	K	98.6	Very high	96.2	Very high	20 Å²	20	30.4 Å²	30.4	9%	0.087	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.1	167	-66.7	-162.3	-65.1	-178.2	0	110	D93 W96 M107 L154 S155 F172 D183 W184	D93-K174 PolarHBondContact O-NZ 3.18Å; W96-K174 HydrophobicContact CB-CD 3.86Å; W96-K174 PolarHBondContact O-NZ 3.39Å; M107-K174 HydrophobicContact CE-CD 4.02Å; M107-K174 HydrophobicContact CE-CG 4.14Å; L154-K174 WeakPolarHBondContact O-CE 3.27Å; L154-K174 PolarHBondContact O-NZ 3.42Å; S155-K174 PolarHBondContact O-N 3.42Å; F172-K174 HydrophobicContact CD2-CG 4.27Å; F172-K174 HydrophobicContact CE2-CG 4.34Å; K174-D183 WeakPolarHBondContact CA-O 3.44Å; K174-W184 HydrophobicContact CG-CB 3.92Å
175	R	96.3	Very high	96.5	Very high	48 Å²	48	27.2 Å²	27.2	18%	0.181	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.4	174.4	-178.9	174	64.6	-173.3	1.5	109	G182 D183 P350 L352	R175-G182 WeakPolarHBondContact O-CA 3.42Å; R175-D183 HydrophobicContact CB-CB 4.41Å; R175-D183 IonicContact CZ-OD2 3.85Å; R175-D183 PolarHBondContact N-O 3.44Å; R175-D183 IonicContact NE-OD2 2.64Å; R175-D183 IonicContact NH2-OD2 3.06Å; R175-D183 PolarHBondContact NH2-OD2 3.37Å; R175-D183 PolarHBondContact O-N 2.86Å; R175-P350 PolarHBondContact NH1-O 2.68Å; R175-P350 PolarHBondContact NH2-O 3.45Å; R175-P350 VanDerWaalsContact NH2-O 3.12Å; R175-L352 HydrophobicContact CB-CD2 4.18Å
176	P	94.5	Very high	96.9	Very high	93 Å²	93	25.2 Å²	25.2	60%	0.604	15%	0.145	S	C	*	.			trans	-57.3	151	176.1	-24.1	33.8	0	0	0	112.2
177	G	91.7	Very high	97.1	Very high	28 Å²	28	26.5 Å²	26.5	29%	0.289	15%	0.15	S	C	.	.			trans	160.6	159.8	177	0	0	0	0	0	113.7	G182	G177-G182 VanDerWaalsContact O-CA 3.25Å; G177-G182 WeakPolarHBondContact O-CA 3.34Å; G177-G182 PolarHBondContact O-N 3.09Å
178	G	93.1	Very high	97.2	Very high	41 Å²	41	23.1 Å²	23.1	42%	0.423	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	-157.9	179.3	0	0	0	0	0	113.6	S340	G178-S340 WeakPolarHBondContact CA-OG 3.31Å
179	Q	95	Very high	97.2	Very high	136 Å²	136	23.7 Å²	23.7	64%	0.636	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	2.3	179.9	-59.7	106.6	30	0	0	113.7	S340	Q179-S340 PolarHBondContact N-OG 3.07Å
180	H	96.4	Very high	97.2	Very high	44 Å²	44	23.2 Å²	23.2	20%	0.204	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	30.4	-166	-53.2	97.7	0	0	0	113.5	E236 L237 S340	H180-E236 PolarHBondContact CD2-O 2.79Å; H180-E236 VanDerWaalsContact CD2-O 3.3Å; H180-L237 VanDerWaalsContact CB-O 3.3Å; H180-L237 WeakPolarHBondContact CB-O 3.48Å; H180-L237 VanDerWaalsContact CG-O 3.27Å; H180-S340 VanDerWaalsContact ND1-CB 3.25Å; H180-S340 WeakPolarHBondContact ND1-CB 3.37Å; H180-S340 PolarHBondContact ND1-OG 3.22Å
181	G	94.8	Very high	97	Very high	11 Å²	11	26.4 Å²	26.4	11%	0.113	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	16.2	173.4	0	0	0	0	0	116.5
182	G	96.2	Very high	96.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	17%	0.165	C	C	.	.			trans	80.7	-166	169.9	0	0	0	0	0	116.7	R175 G177 F336	R175-G182 WeakPolarHBondContact O-CA 3.42Å; G177-G182 VanDerWaalsContact O-CA 3.25Å; G177-G182 WeakPolarHBondContact O-CA 3.34Å; G177-G182 PolarHBondContact O-N 3.09Å; G182-F336 WeakPolarHBondContact O-CE1 3.35Å
183	D	97.4	Very high	96.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	162.8	178.3	-62.9	-24.6	0	0	0	110.6	K174 R175 E337 S338 Q342	K174-D183 WeakPolarHBondContact CA-O 3.44Å; R175-D183 HydrophobicContact CB-CB 4.41Å; R175-D183 IonicContact CZ-OD2 3.85Å; R175-D183 PolarHBondContact N-O 3.44Å; R175-D183 IonicContact NE-OD2 2.64Å; R175-D183 IonicContact NH2-OD2 3.06Å; R175-D183 PolarHBondContact NH2-OD2 3.37Å; R175-D183 PolarHBondContact O-N 2.86Å; D183-E337 WeakPolarHBondContact OD1-CA 3.44Å; D183-S338 PolarHBondContact OD1-N 3.09Å; D183-Q342 PolarHBondContact OD2-NE2 3.28Å
184	W	98.6	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.2	166.5	58.7	-103.7	0	0	0	112.9	W96 M107 T117 V173 K174 W186 F242 F334 F336	W96-W184 AromaticContact CD2-CD1 3.87Å; W96-W184 AromaticContact CD2-NE1 3.49Å; W96-W184 AromaticContact CE2-NE1 3.69Å; W96-W184 AromaticContact CE3-NE1 3.57Å; W96-W184 AromaticContact CG-CD1 3.92Å; W96-W184 AromaticContact CZ2-NE1 3.96Å; W96-W184 HydrophobicContact CZ3-CZ2 4.44Å; W96-W184 AromaticContact CZ3-NE1 3.84Å; M107-W184 HydrophobicContact SD-CD2 4.05Å; M107-W184 HydrophobicContact SD-CE3 4.38Å; M107-W184 HydrophobicContact SD-CG 4.22Å; T117-W184 HydrophobicContact CG2-CH2 4.02Å; T117-W184 HydrophobicContact CG2-CZ2 3.93Å; V173-W184 VanDerWaalsContact O-CA 3.31Å; V173-W184 WeakPolarHBondContact O-CA 3.3Å; K174-W184 HydrophobicContact CG-CB 3.92Å; W184-W186 AromaticContact CE3-CD1 3.49Å; W184-W186 VanDerWaalsContact CE3-CD1 3.49Å; W184-W186 HydrophobicContact CE3-CD2 4.37Å; W184-W186 AromaticContact CE3-CE2 3.93Å; W184-W186 HydrophobicContact CE3-CG 4.12Å; W184-W186 AromaticContact CE3-NE1 3.32Å; W184-W186 VanDerWaalsContact CE3-NE1 3.32Å; W184-W186 HydrophobicContact CH2-CD2 4.26Å; W184-W186 AromaticContact CH2-CE2 3.74Å; W184-W186 HydrophobicContact CH2-CH2 4.38Å; W184-W186 AromaticContact CH2-CZ2 3.81Å; W184-W186 HydrophobicContact CH2-CZ2 3.81Å; W184-W186 AromaticContact CH2-NE1 3.97Å; W184-W186 HydrophobicContact CZ2-CZ2 4.44Å; W184-W186 AromaticContact CZ3-CD1 3.57Å; W184-W186 AromaticContact CZ3-CD2 3.66Å; W184-W186 HydrophobicContact CZ3-CD2 3.66Å; W184-W186 AromaticContact CZ3-CE2 3.38Å; W184-W186 HydrophobicContact CZ3-CE3 4.45Å; W184-W186 AromaticContact CZ3-CG 3.78Å; W184-W186 HydrophobicContact CZ3-CG 3.78Å; W184-W186 AromaticContact CZ3-CZ2 3.96Å; W184-W186 HydrophobicContact CZ3-CZ2 3.96Å; W184-W186 AromaticContact CZ3-NE1 3.29Å; W184-W186 VanDerWaalsContact CZ3-NE1 3.29Å; W184-F242 HydrophobicContact CH2-CD1 4.27Å; W184-F242 AromaticContact CH2-CE1 3.76Å; W184-F242 HydrophobicContact CH2-CE1 3.76Å; W184-F242 HydrophobicContact CZ2-CD1 4.45Å; W184-F242 AromaticContact CZ2-CE1 3.57Å; W184-F242 HydrophobicContact CZ2-CE1 3.57Å; W184-F242 HydrophobicContact CZ2-CZ 4.41Å; W184-F334 AromaticContact CH2-CD1 3.88Å; W184-F334 HydrophobicContact CH2-CD1 3.88Å; W184-F334 AromaticContact CH2-CE1 3.88Å; W184-F334 HydrophobicContact CH2-CE1 3.88Å; W184-F334 AromaticContact CZ3-CD1 3.95Å; W184-F334 HydrophobicContact CZ3-CD1 3.95Å; W184-F334 HydrophobicContact CZ3-CE1 4.4Å; W184-F336 AromaticContact CD1-CD1 3.56Å; W184-F336 AromaticContact CD1-CG 3.99Å; W184-F336 HydrophobicContact CD2-CB 3.51Å; W184-F336 HydrophobicContact CD2-CG 4.28Å; W184-F336 AromaticContact CE2-CG 3.76Å; W184-F336 HydrophobicContact CE3-CB 3.93Å; W184-F336 HydrophobicContact CG-CB 3.97Å; W184-F336 HydrophobicContact CG-CD1 4.22Å; W184-F336 HydrophobicContact CG-CG 4.44Å; W184-F336 HydrophobicContact CH2-CB 4.05Å; W184-F336 HydrophobicContact CZ2-CB 3.67Å; W184-F336 HydrophobicContact CZ2-CG 4.19Å; W184-F336 HydrophobicContact CZ3-CB 4.16Å; W184-F336 PolarHBondContact N-O 3.41Å; W184-F336 AromaticContact NE1-CD1 3.5Å; W184-F336 AromaticContact NE1-CG 3.55Å; W184-F336 PolarHBondContact O-N 3.27Å
185	S	98.9	Very high	93.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.7	177.3	-66.9	0	0	0	0	111.4	F172 V173 L352	F172-S185 VanDerWaalsContact CA-O 3.23Å; F172-S185 WeakPolarHBondContact CA-O 3.45Å; V173-S185 PolarHBondContact N-O 3.17Å; V173-S185 PolarHBondContact O-N 3.2Å; S185-L352 WeakPolarHBondContact CB-O 3.33Å; S185-L352 PolarHBondContact OG-O 2.86Å
186	W	98.9	Very high	91.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.1	170.5	-60.8	-9.5	0	0	0	110.8	F105 M107 T117 E171 W184 F207 E333 F334	F105-W186 HydrophobicContact CD1-CD2 4.17Å; F105-W186 AromaticContact CD1-CE3 4Å; F105-W186 HydrophobicContact CD1-CE3 4Å; F105-W186 HydrophobicContact CD1-CZ3 4.2Å; F105-W186 HydrophobicContact CE1-CB 3.97Å; F105-W186 AromaticContact CE1-CD1 3.96Å; F105-W186 AromaticContact CE1-CD2 3.27Å; F105-W186 HydrophobicContact CE1-CD2 3.27Å; F105-W186 AromaticContact CE1-CE2 3.71Å; F105-W186 AromaticContact CE1-CE3 3.5Å; F105-W186 HydrophobicContact CE1-CE3 3.5Å; F105-W186 AromaticContact CE1-CG 3.49Å; F105-W186 HydrophobicContact CE1-CG 3.49Å; F105-W186 VanDerWaalsContact CE1-CG 3.49Å; F105-W186 HydrophobicContact CE1-CH2 4.48Å; F105-W186 HydrophobicContact CE1-CZ2 4.31Å; F105-W186 HydrophobicContact CE1-CZ3 4.11Å; F105-W186 HydrophobicContact CZ-CB 4.27Å; F105-W186 AromaticContact CZ-CD1 3.73Å; F105-W186 AromaticContact CZ-CD2 3.85Å; F105-W186 HydrophobicContact CZ-CD2 3.85Å; F105-W186 AromaticContact CZ-CE2 3.97Å; F105-W186 HydrophobicContact CZ-CE3 4.49Å; F105-W186 AromaticContact CZ-CG 3.72Å; F105-W186 HydrophobicContact CZ-CG 3.72Å; F105-W186 AromaticContact CZ-NE1 3.9Å; M107-W186 HydrophobicContact CB-CZ2 4Å; M107-W186 HydrophobicContact CG-CZ2 3.75Å; M107-W186 HydrophobicContact SD-CZ2 4.16Å; M107-W186 PolarHBondContact SD-NE1 3.43Å; T117-W186 WeakPolarHBondContact OG1-CH2 3.5Å; T117-W186 WeakPolarHBondContact OG1-CZ2 3.33Å; E171-W186 CarbonylContact O-C 3.54Å; E171-W186 VanDerWaalsContact O-CA 3.24Å; E171-W186 WeakPolarHBondContact O-CA 3.5Å; W184-W186 AromaticContact CE3-CD1 3.49Å; W184-W186 VanDerWaalsContact CE3-CD1 3.49Å; W184-W186 HydrophobicContact CE3-CD2 4.37Å; W184-W186 AromaticContact CE3-CE2 3.93Å; W184-W186 HydrophobicContact CE3-CG 4.12Å; W184-W186 AromaticContact CE3-NE1 3.32Å; W184-W186 VanDerWaalsContact CE3-NE1 3.32Å; W184-W186 HydrophobicContact CH2-CD2 4.26Å; W184-W186 AromaticContact CH2-CE2 3.74Å; W184-W186 HydrophobicContact CH2-CH2 4.38Å; W184-W186 AromaticContact CH2-CZ2 3.81Å; W184-W186 HydrophobicContact CH2-CZ2 3.81Å; W184-W186 AromaticContact CH2-NE1 3.97Å; W184-W186 HydrophobicContact CZ2-CZ2 4.44Å; W184-W186 AromaticContact CZ3-CD1 3.57Å; W184-W186 AromaticContact CZ3-CD2 3.66Å; W184-W186 HydrophobicContact CZ3-CD2 3.66Å; W184-W186 AromaticContact CZ3-CE2 3.38Å; W184-W186 HydrophobicContact CZ3-CE3 4.45Å; W184-W186 AromaticContact CZ3-CG 3.78Å; W184-W186 HydrophobicContact CZ3-CG 3.78Å; W184-W186 AromaticContact CZ3-CZ2 3.96Å; W184-W186 HydrophobicContact CZ3-CZ2 3.96Å; W184-W186 AromaticContact CZ3-NE1 3.29Å; W184-W186 VanDerWaalsContact CZ3-NE1 3.29Å; W186-F207 HydrophobicContact CE3-CD1 4.18Å; W186-F207 HydrophobicContact CE3-CE1 4.3Å; W186-F207 HydrophobicContact CZ3-CD1 4.35Å; W186-E333 WeakPolarHBondContact O-CA 3.22Å; W186-F334 HydrophobicContact CB-CB 4.3Å; W186-F334 HydrophobicContact CD2-CD1 4.21Å; W186-F334 HydrophobicContact CE3-CB 4.24Å; W186-F334 AromaticContact CE3-CD1 3.66Å; W186-F334 HydrophobicContact CE3-CD1 3.66Å; W186-F334 HydrophobicContact CE3-CG 4.42Å; W186-F334 AromaticContact CZ3-CD1 3.85Å; W186-F334 HydrophobicContact CZ3-CD1 3.85Å; W186-F334 HydrophobicContact CZ3-CE1 4.37Å; W186-F334 PolarHBondContact N-O 3.4Å; W186-F334 PolarHBondContact O-N 3.35Å; W186-F334 VanDerWaalsContact O-N 3.08Å
187	R	98.9	Very high	89.9	Confident	27 Å²	27	40.9 Å²	40.9	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.4	160.6	-177.1	176.1	-71.6	164.2	-3.7	108.9	E171 I332 E333 G354 L357 T358	E171-R187 HydrophobicContact CB-CB 4.39Å; E171-R187 PolarHBondContact N-O 2.83Å; E171-R187 PolarHBondContact O-N 3.48Å; R187-I332 WeakPolarHBondContact CA-O 3.43Å; R187-E333 HydrophobicContact CB-CG 4.31Å; R187-E333 HydrophobicContact CG-CG 4.3Å; R187-E333 IonicContact CZ-OE1 3.43Å; R187-E333 VanDerWaalsContact CZ-OE1 3.26Å; R187-E333 IonicContact NE-OE1 3.81Å; R187-E333 PolarHBondContact NE-OE1 2.86Å; R187-E333 IonicContact NH2-OE1 2.68Å; R187-E333 PolarHBondContact NH2-OE1 3.39Å; R187-G354 PolarHBondContact NH2-O 3.03Å; R187-L357 HydrophobicContact CB-CD2 4.05Å; R187-T358 PolarHBondContact NH1-OG1 3.33Å; R187-T358 PolarHBondContact NH2-OG1 3.14Å; R187-T358 VanDerWaalsContact NH2-OG1 3.14Å
188	V	98.9	Very high	88.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.1	173.9	-175.3	0	0	0	0	108.3	L119 T169 T170 V190 L205 F207 S331 I332	L119-V188 HydrophobicContact CD1-CG2 4.37Å; L119-V188 HydrophobicContact CD2-CG1 4.12Å; L119-V188 HydrophobicContact CD2-CG2 4.02Å; T169-V188 WeakPolarHBondContact O-CA 3.41Å; T170-V188 HydrophobicContact CG2-CG1 4.36Å; T170-V188 HydrophobicContact CG2-CG2 4.42Å; V188-V190 HydrophobicContact CG1-CG2 4.49Å; V188-L205 HydrophobicContact CB-CD1 4.18Å; V188-L205 HydrophobicContact CG1-CD1 3.7Å; V188-F207 HydrophobicContact CB-CZ 4.29Å; V188-F207 HydrophobicContact CG2-CE1 3.93Å; V188-F207 HydrophobicContact CG2-CZ 4Å; V188-S331 CarbonylContact O-C 3.57Å; V188-S331 WeakPolarHBondContact O-CA 3.41Å; V188-I332 HydrophobicContact CB-CG2 4.15Å; V188-I332 PolarHBondContact N-O 2.85Å; V188-I332 PolarHBondContact O-N 3.29Å
189	T	98.8	Very high	87.7	Confident	13 Å²	13	47.1 Å²	47.1	8%	0.08	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.4	178.5	-60.4	0	0	0	0	109.1	L168 T169 E191 P250 F330 S331	L168-T189 CarbonylContact C-O 2.99Å; L168-T189 WeakPolarHBondContact CA-O 3.5Å; T169-T189 PolarHBondContact N-O 2.96Å; T169-T189 PolarHBondContact O-N 3.41Å; T189-E191 HydrophobicContact CG2-CG 4.03Å; T189-P250 HydrophobicContact CG2-CB 3.97Å; T189-P250 HydrophobicContact CG2-CG 3.88Å; T189-F330 WeakPolarHBondContact CA-O 3.44Å; T189-S331 WeakPolarHBondContact CG2-OG 3.47Å; T189-S331 PolarHBondContact OG1-OG 3.03Å
190	V	98.4	Very high	87.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.1	177.9	-168.9	0	0	0	0	108.8	L166 L168 V188 V203 L205 V328 P329 F330	L166-V190 HydrophobicContact CD2-CG1 4.29Å; L168-V190 HydrophobicContact CG-CG1 4.36Å; L168-V190 HydrophobicContact CG-CG2 4.29Å; V188-V190 HydrophobicContact CG1-CG2 4.49Å; V190-V203 HydrophobicContact CG1-CG1 4.47Å; V190-V203 HydrophobicContact CG1-CG2 4.39Å; V190-L205 HydrophobicContact CG2-CD1 3.97Å; V190-L205 HydrophobicContact CG2-CD2 4.05Å; V190-L205 HydrophobicContact CG2-CG 4.32Å; V190-V328 HydrophobicContact CB-CG1 4.14Å; V190-V328 HydrophobicContact CG1-CG1 3.54Å; V190-P329 VanDerWaalsContact O-CA 3.23Å; V190-P329 WeakPolarHBondContact O-CA 3.5Å; V190-F330 HydrophobicContact CB-CE1 4.15Å; V190-F330 HydrophobicContact CB-CE2 4.35Å; V190-F330 HydrophobicContact CB-CZ 4.01Å; V190-F330 HydrophobicContact CG2-CE1 4.41Å; V190-F330 HydrophobicContact CG2-CE2 3.9Å; V190-F330 HydrophobicContact CG2-CZ 3.77Å; V190-F330 PolarHBondContact N-O 2.82Å; V190-F330 PolarHBondContact O-N 2.99Å; V190-F330 VanDerWaalsContact O-N 3.08Å
191	E	95.9	Very high	86.9	Confident	66 Å²	66	43.7 Å²	43.7	31%	0.308	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.4	-179.6	-61	177.6	106.3	0	0	109.8	K167 T189 P329	K167-E191 PolarHBondContact N-O 2.84Å; K167-E191 PolarHBondContact O-N 3.39Å; T189-E191 HydrophobicContact CG2-CG 4.03Å; E191-P329 HydrophobicContact CG-CB 4.49Å
192	P	92.7	Very high	87	Confident	58 Å²	58	43.6 Å²	43.6	38%	0.377	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139.3	165.2	30	-32.2	0	0	0	109.1	A194 V328	P192-A194 PolarHBondContact O-N 3.18Å; P192-V328 HydrophobicContact CB-CG2 4.07Å; P192-V328 HydrophobicContact CG-CG2 4.28Å
193	Q	84.9	Confident	87.1	Confident	63 Å²	63	43.5 Å²	43.5	29%	0.294	30%	0.297	S	S	.	.			trans	-60.6	136.6	167.4	-168.9	69.1	13.1	0	0	108.3	A165 S195	A165-Q193 PolarHBondContact O-N 2.94Å; Q193-S195 PolarHBondContact O-N 2.99Å
194	A	73.9	Confident	87.1	Confident	105 Å²	105	43.3 Å²	43.3	87%	0.868	30%	0.296	S	S	*	.	S	Bend	trans	-61.2	100.7	178	0	0	0	0	0	110.2	P192	P192-A194 PolarHBondContact O-N 3.18Å
195	S	65.3	Low	87.1	Confident	72 Å²	72	43.3 Å²	43.3	50%	0.503	30%	0.296	S	S	.	.			trans	-131	156.4	177.1	61.1	0	0	0	0	110.5	Q193 T197	Q193-S195 PolarHBondContact O-N 2.99Å; S195-T197 PolarHBondContact O-N 2.99Å; S195-T197 PolarHBondContact OG-OG1 3Å
196	G	58.2	Low	87.1	Confident	94 Å²	94	43.3 Å²	43.3	97%	0.969	30%	0.295	S	S	*	.	S	Bend	trans	-69.5	10.6	177.3	0	0	0	0	0	115.1
197	T	61.9	Low	87.1	Confident	94 Å²	94	43.3 Å²	43.3	58%	0.577	30%	0.296	S	S	*	.			trans	-108.9	127.5	-178.4	47	0	0	0	0	110.6	S195 A199	S195-T197 PolarHBondContact O-N 2.99Å; S195-T197 PolarHBondContact OG-OG1 3Å; T197-A199 PolarHBondContact O-N 2.88Å; T197-A199 VanDerWaalsContact O-N 3.11Å
198	S	64.9	Low	87.1	Confident	123 Å²	123	42.1 Å²	42.1	86%	0.86	29%	0.291	S	S	*	.			trans	-76	10.1	179.3	-42.6	0	0	0	0	114.5	I200	S198-I200 PolarHBondContact O-N 3.21Å
199	A	72.4	Confident	87.1	Confident	78 Å²	78	42.1 Å²	42.1	65%	0.645	29%	0.291	S	S	*	.			trans	-75.8	125.4	-175.6	0	0	0	0	0	109.3	T197 P201	T197-A199 PolarHBondContact O-N 2.88Å; T197-A199 VanDerWaalsContact O-N 3.11Å; A199-P201 VanDerWaalsContact O-CD 3.29Å; A199-P201 WeakPolarHBondContact O-CD 3.1Å
200	I	84.8	Confident	87	Confident	89 Å²	89	41.5 Å²	41.5	46%	0.456	29%	0.287	S	S	.	.			trans	-102.3	107.4	-179.2	-62.3	177	0	0	0	108.8	S198 K327 V328	S198-I200 PolarHBondContact O-N 3.21Å; I200-K327 HydrophobicContact CB-CD 4.47Å; I200-K327 HydrophobicContact CG2-CB 3.85Å; I200-K327 HydrophobicContact CG2-CD 4.09Å; I200-K327 HydrophobicContact CG2-CG 4.03Å; I200-K327 WeakPolarHBondContact O-CE 3.32Å; I200-V328 HydrophobicContact CG2-CG2 3.81Å; I200-V328 WeakPolarHBondContact CG2-O 3.24Å
201	P	91.4	Very high	86.9	Confident	18 Å²	18	41.6 Å²	41.6	12%	0.117	29%	0.288	C	S	.	.			trans	-59.8	141.8	179.1	-26.5	33.8	0	0	0	114	Q123 L166 A199 V203 K327 V328	Q123-P201 HydrophobicContact CG-CB 4.25Å; L166-P201 HydrophobicContact CD2-CB 3.87Å; L166-P201 HydrophobicContact CD2-CG 3.95Å; A199-P201 VanDerWaalsContact O-CD 3.29Å; A199-P201 WeakPolarHBondContact O-CD 3.1Å; P201-V203 HydrophobicContact CB-CG2 4.25Å; P201-K327 WeakPolarHBondContact O-CA 3.22Å; P201-V328 HydrophobicContact CB-CG2 4.33Å; P201-V328 HydrophobicContact CG-CG2 4.28Å; P201-V328 PolarHBondContact O-N 3.21Å; P201-V328 VanDerWaalsContact O-N 3.16Å
202	L	95.5	Very high	86.6	Confident	9 Å²	9	40.6 Å²	40.6	5%	0.047	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.4	163.5	-176.8	63.2	0	0	0	108.9	Q124 H287 E295 T325 L326 K327	Q124-L202 HydrophobicContact CB-CB 4.18Å; Q124-L202 HydrophobicContact CB-CD2 4.04Å; Q124-L202 HydrophobicContact CB-CG 4.03Å; Q124-L202 HydrophobicContact CG-CD2 4.5Å; Q124-L202 HydrophobicContact CG-CG 4.35Å; Q124-L202 PolarHBondContact N-O 3.27Å; L202-H287 HydrophobicContact CD1-CB 4.43Å; L202-E295 HydrophobicContact CD2-CB 3.88Å; L202-T325 HydrophobicContact CD1-CG2 3.74Å; L202-T325 HydrophobicContact CD2-CG2 4.28Å; L202-T325 HydrophobicContact CG-CG2 3.89Å; L202-L326 VanDerWaalsContact CD1-C 3.46Å; L202-K327 HydrophobicContact CD1-CG 4.38Å
203	V	97.6	Very high	86.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.8	-174.8	179.2	0	0	0	0	110.3	L166 V190 P201 L205 T325 L326 V328 F330	L166-V203 HydrophobicContact CD1-CG1 4.45Å; L166-V203 HydrophobicContact CD1-CG2 3.73Å; L166-V203 HydrophobicContact CD2-CG2 3.7Å; L166-V203 HydrophobicContact CG-CG2 4.4Å; V190-V203 HydrophobicContact CG1-CG1 4.47Å; V190-V203 HydrophobicContact CG1-CG2 4.39Å; P201-V203 HydrophobicContact CB-CG2 4.25Å; V203-L205 HydrophobicContact CG1-CD2 4.23Å; V203-T325 VanDerWaalsContact O-CA 3.3Å; V203-T325 WeakPolarHBondContact O-CA 3.21Å; V203-L326 PolarHBondContact N-O 3.4Å; V203-L326 PolarHBondContact O-N 2.97Å; V203-V328 HydrophobicContact CB-CG1 4.36Å; V203-V328 HydrophobicContact CG2-CG1 3.69Å; V203-F330 HydrophobicContact CB-CE1 4.29Å; V203-F330 HydrophobicContact CB-CZ 4.39Å; V203-F330 HydrophobicContact CG1-CZ 4.5Å
204	S	98.5	Very high	86.3	Confident	0 Å²	0	43 Å²	43	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125	166.4	-61.6	0	0	0	0	110.3	W121 A122 Q124 Q323 V324 T325	W121-S204 CarbonylContact C-O 3.17Å; W121-S204 VanDerWaalsContact CA-O 3.27Å; W121-S204 WeakPolarHBondContact CA-O 3.32Å; A122-S204 PolarHBondContact N-O 3.2Å; A122-S204 PolarHBondContact O-N 2.92Å; Q124-S204 PolarHBondContact NE2-OG 2.78Å; S204-Q323 PolarHBondContact OG-NE2 2.99Å; S204-Q323 VanDerWaalsContact OG-NE2 3.08Å; S204-V324 CarbonylContact C-O 3.46Å; S204-V324 VanDerWaalsContact CA-O 3.26Å; S204-V324 WeakPolarHBondContact CA-O 3.27Å; S204-T325 WeakPolarHBondContact OG-CG2 3.29Å; S204-T325 PolarHBondContact OG-OG1 3.41Å
205	L	98.8	Very high	87.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	146.7	165	-62.3	-173.2	0	0	0	109.9	W121 L168 V188 V190 V203 F207 Q323 V324 F330 I332	W121-L205 HydrophobicContact CB-CD2 3.6Å; L168-L205 HydrophobicContact CD2-CD2 4.46Å; V188-L205 HydrophobicContact CB-CD1 4.18Å; V188-L205 HydrophobicContact CG1-CD1 3.7Å; V190-L205 HydrophobicContact CG2-CD1 3.97Å; V190-L205 HydrophobicContact CG2-CD2 4.05Å; V190-L205 HydrophobicContact CG2-CG 4.32Å; V203-L205 HydrophobicContact CG1-CD2 4.23Å; L205-F207 HydrophobicContact CB-CE2 3.79Å; L205-F207 HydrophobicContact CB-CZ 4.41Å; L205-F207 HydrophobicContact CD1-CE2 4.25Å; L205-F207 HydrophobicContact CD1-CZ 4.2Å; L205-Q323 CarbonylContact O-C 3.59Å; L205-Q323 WeakPolarHBondContact O-CA 3.45Å; L205-V324 HydrophobicContact CB-CG1 3.86Å; L205-V324 PolarHBondContact N-O 2.92Å; L205-V324 PolarHBondContact O-N 3.48Å; L205-F330 HydrophobicContact CD1-CE2 3.64Å; L205-F330 HydrophobicContact CD1-CZ 4.14Å; L205-F330 HydrophobicContact CG-CE2 4.08Å; L205-F330 HydrophobicContact CG-CZ 4.11Å; L205-I332 HydrophobicContact CD1-CG2 3.69Å
206	F	98.8	Very high	88.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.1	179.7	-50.7	-106.1	0	0	0	110.8	L119 M120 A122 L133 V277 L281 L300 I321 Q322 Q323	L119-F206 CarbonylContact C-O 3.59Å; L119-F206 WeakPolarHBondContact CA-O 3.23Å; M120-F206 HydrophobicContact CB-CB 3.97Å; M120-F206 HydrophobicContact CB-CD2 4.06Å; M120-F206 HydrophobicContact CB-CG 4.29Å; M120-F206 PolarHBondContact N-O 3.44Å; M120-F206 PolarHBondContact O-N 3.43Å; A122-F206 HydrophobicContact CB-CE2 4.11Å; L133-F206 HydrophobicContact CD1-CD2 3.99Å; L133-F206 HydrophobicContact CD1-CE2 3.71Å; L133-F206 HydrophobicContact CD1-CZ 4.25Å; F206-V277 HydrophobicContact CD1-CG1 4.42Å; F206-V277 HydrophobicContact CE1-CG1 4.32Å; F206-L281 HydrophobicContact CE1-CD2 4.02Å; F206-L281 HydrophobicContact CZ-CD1 4.22Å; F206-L281 HydrophobicContact CZ-CD2 4.09Å; F206-L300 HydrophobicContact CD1-CD1 4.12Å; F206-L300 HydrophobicContact CE1-CD1 4.21Å; F206-L300 HydrophobicContact CE1-CG 4.37Å; F206-I321 HydrophobicContact CB-CD1 3.68Å; F206-I321 HydrophobicContact CB-CG1 3.89Å; F206-I321 HydrophobicContact CD1-CD1 4.19Å; F206-I321 HydrophobicContact CD1-CG1 4.44Å; F206-I321 HydrophobicContact CG-CD1 4.31Å; F206-Q322 CarbonylContact C-O 3.53Å; F206-Q322 VanDerWaalsContact CA-O 3.24Å; F206-Q322 WeakPolarHBondContact CA-O 3.11Å; F206-Q323 HydrophobicContact CD1-CB 3.65Å; F206-Q323 HydrophobicContact CD1-CG 3.83Å; F206-Q323 HydrophobicContact CE1-CB 3.71Å; F206-Q323 HydrophobicContact CE1-CG 3.46Å; F206-Q323 VanDerWaalsContact CE1-CG 3.46Å; F206-Q323 HydrophobicContact CZ-CG 3.91Å
207	F	98.8	Very high	89.9	Confident	1 Å²	1	35.4 Å²	35.4	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.1	178.6	-63.9	-93.9	0	0	0	109	L119 W186 V188 L205 L244 I321 Q322 V324 I332 F334	L119-F207 HydrophobicContact CD1-CD1 4.22Å; L119-F207 HydrophobicContact CD1-CE1 3.78Å; L119-F207 HydrophobicContact CD1-CE2 4.26Å; L119-F207 HydrophobicContact CD1-CZ 3.78Å; W186-F207 HydrophobicContact CE3-CD1 4.18Å; W186-F207 HydrophobicContact CE3-CE1 4.3Å; W186-F207 HydrophobicContact CZ3-CD1 4.35Å; V188-F207 HydrophobicContact CB-CZ 4.29Å; V188-F207 HydrophobicContact CG2-CE1 3.93Å; V188-F207 HydrophobicContact CG2-CZ 4Å; L205-F207 HydrophobicContact CB-CE2 3.79Å; L205-F207 HydrophobicContact CB-CZ 4.41Å; L205-F207 HydrophobicContact CD1-CE2 4.25Å; L205-F207 HydrophobicContact CD1-CZ 4.2Å; F207-L244 HydrophobicContact CB-CD1 4.47Å; F207-L244 HydrophobicContact CD1-CD1 4.27Å; F207-L244 HydrophobicContact CD2-CD1 3.6Å; F207-L244 HydrophobicContact CD2-CD2 4.05Å; F207-L244 HydrophobicContact CE1-CD1 4.47Å; F207-L244 HydrophobicContact CE2-CD1 3.84Å; F207-L244 HydrophobicContact CG-CD1 3.84Å; F207-L244 HydrophobicContact CZ-CD1 4.29Å; F207-I321 WeakPolarHBondContact O-CA 3.48Å; F207-Q322 PolarHBondContact N-O 3.47Å; F207-Q322 PolarHBondContact O-N 2.7Å; F207-V324 HydrophobicContact CE2-CG1 4.33Å; F207-I332 HydrophobicContact CE2-CD1 4.29Å; F207-I332 HydrophobicContact CE2-CG2 3.78Å; F207-I332 HydrophobicContact CZ-CG2 3.47Å; F207-I332 VanDerWaalsContact CZ-CG2 3.47Å; F207-F334 HydrophobicContact CB-CD2 4.46Å; F207-F334 HydrophobicContact CB-CG 4.49Å; F207-F334 HydrophobicContact CD1-CB 3.72Å; F207-F334 HydrophobicContact CD1-CD1 4.04Å; F207-F334 HydrophobicContact CD1-CD2 4.49Å; F207-F334 AromaticContact CD1-CG 3.85Å; F207-F334 HydrophobicContact CD1-CG 3.85Å; F207-F334 HydrophobicContact CE1-CB 3.94Å; F207-F334 HydrophobicContact CG-CG 4.42Å
208	Y	98.8	Very high	91.5	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.3	-179	70.7	-100.6	0	0	0	113.8	R100 T117 G118 M120 H135 V210 L273 F319 L320 I321	R100-Y208 PolarHBondContact NH1-OH 2.95Å; R100-Y208 PolarHBondContact NH2-OH 3.27Å; T117-Y208 WeakPolarHBondContact CA-O 3.49Å; T117-Y208 WeakPolarHBondContact CB-O 3.39Å; G118-Y208 VanDerWaalsContact CA-CE1 3.44Å; G118-Y208 VanDerWaalsContact CA-CZ 3.44Å; G118-Y208 PolarHBondContact N-O 3.24Å; G118-Y208 VanDerWaalsContact N-O 3.16Å; G118-Y208 WeakPolarHBondContact O-CD1 3.47Å; G118-Y208 PolarHBondContact O-N 3.36Å; M120-Y208 HydrophobicContact CE-CD1 4.01Å; M120-Y208 HydrophobicContact CE-CE1 3.81Å; M120-Y208 HydrophobicContact CG-CD1 4.43Å; M120-Y208 HydrophobicContact CG-CE1 4.3Å; H135-Y208 AromaticContact CD2-CE1 3.99Å; H135-Y208 AromaticContact NE2-CE1 3.5Å; H135-Y208 AromaticContact NE2-CZ 3.52Å; H135-Y208 PolarHBondContact NE2-OH 2.96Å; Y208-V210 HydrophobicContact CD2-CG2 3.97Å; Y208-V210 HydrophobicContact CE2-CG2 4.15Å; Y208-L273 HydrophobicContact CE2-CD1 4.03Å; Y208-F319 HydrophobicContact CD2-CE2 4.14Å; Y208-F319 AromaticContact CG-CE2 3.88Å; Y208-F319 HydrophobicContact CG-CE2 3.88Å; Y208-L320 CarbonylContact C-O 3.46Å; Y208-L320 WeakPolarHBondContact CA-O 3.36Å; Y208-L320 WeakPolarHBondContact CB-O 3.31Å; Y208-I321 HydrophobicContact CD1-CD1 4.39Å
209	V	98.5	Very high	92.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.5	167.7	55.4	0	0	0	0	109.2	L115 L116 T117 L217 I230 F242 L320	L115-V209 HydrophobicContact CD1-CG2 3.72Å; L115-V209 HydrophobicContact CG-CG2 4.39Å; L116-V209 CarbonylContact O-C 3.58Å; L116-V209 VanDerWaalsContact O-CA 3.31Å; L116-V209 WeakPolarHBondContact O-CA 3.38Å; T117-V209 HydrophobicContact CG2-CB 4.39Å; T117-V209 HydrophobicContact CG2-CG2 4.46Å; V209-L217 HydrophobicContact CG1-CD1 3.5Å; V209-L217 VanDerWaalsContact CG1-CD1 3.5Å; V209-L217 HydrophobicContact CG1-CD2 4.38Å; V209-L217 HydrophobicContact CG2-CD1 4.41Å; V209-L217 HydrophobicContact CG2-CD2 4.29Å; V209-I230 HydrophobicContact CG1-CD1 4.2Å; V209-F242 HydrophobicContact CB-CE2 4.3Å; V209-F242 HydrophobicContact CG2-CD2 4.26Å; V209-F242 HydrophobicContact CG2-CE2 3.64Å; V209-F242 HydrophobicContact CG2-CZ 4.14Å; V209-L320 HydrophobicContact CG1-CB 4.07Å; V209-L320 PolarHBondContact N-O 2.82Å; V209-L320 PolarHBondContact O-N 2.9Å
210	V	98.1	Very high	93.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.4	172.9	179.9	0	0	0	0	108.7	L116 Y208 N267 L270 L273 Q318 F319	L116-V210 HydrophobicContact CB-CB 4.37Å; L116-V210 HydrophobicContact CD1-CB 4.14Å; L116-V210 HydrophobicContact CD1-CG1 4.18Å; L116-V210 PolarHBondContact N-O 3.44Å; L116-V210 PolarHBondContact O-N 3.33Å; Y208-V210 HydrophobicContact CD2-CG2 3.97Å; Y208-V210 HydrophobicContact CE2-CG2 4.15Å; V210-N267 HydrophobicContact CG1-CB 4.22Å; V210-L270 HydrophobicContact CB-CD2 4.34Å; V210-L270 HydrophobicContact CG1-CD2 3.94Å; V210-L270 HydrophobicContact CG2-CD2 4.27Å; V210-L273 HydrophobicContact CG2-CD1 4.13Å; V210-L273 HydrophobicContact CG2-CD2 4.41Å; V210-Q318 CarbonylContact C-O 3.48Å; V210-Q318 VanDerWaalsContact CA-O 3.23Å; V210-Q318 WeakPolarHBondContact CA-O 3.39Å; V210-F319 HydrophobicContact CG2-CB 4.45Å; V210-F319 HydrophobicContact CG2-CD2 3.77Å
211	T	95.9	Very high	94.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.168	C	C	.	.			trans	-95.3	168.4	171.6	67	0	0	0	0	110.9	L115 E215 L217 G317 Q318	L115-T211 HydrophobicContact CD1-CG2 3.85Å; T211-E215 HydrophobicContact CG2-CB 4.36Å; T211-E215 PolarHBondContact OG1-O 3.05Å; T211-L217 HydrophobicContact CG2-CD1 4.13Å; T211-L217 HydrophobicContact CG2-CD2 3.55Å; T211-L217 HydrophobicContact CG2-CG 3.64Å; T211-G317 WeakPolarHBondContact O-CA 3.33Å; T211-Q318 PolarHBondContact N-O 3.38Å; T211-Q318 PolarHBondContact OG1-N 3.24Å
212	D	89.5	Confident	93.5	Very high	45 Å²	45	31 Å²	31	24%	0.241	18%	0.177	C	C	.	.			trans	-107.9	160.5	176.2	-167.5	-93.4	0	0	0	111.7	K113 N214 E215	K113-D212 HydrophobicContact CB-CB 4.11Å; K113-D212 WeakPolarHBondContact CG-OD1 3.35Å; D212-N214 PolarHBondContact O-N 3.34Å; D212-N214 VanDerWaalsContact O-N 3.14Å; D212-E215 PolarHBondContact N-OE2 3.35Å; D212-E215 WeakPolarHBondContact O-CB 3.42Å; D212-E215 WeakPolarHBondContact O-CG 3.48Å; D212-E215 PolarHBondContact O-N 3.26Å; D212-E215 VanDerWaalsContact O-N 3.1Å
213	S	85.6	Confident	91.9	Very high	36 Å²	36	37 Å²	37	25%	0.252	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-116.6	169.4	-64.3	0	0	0	0	113.9	G315 Q316 G317	S213-G315 WeakPolarHBondContact CA-O 3.42Å; S213-G315 CarbonylContact O-C 3.48Å; S213-G315 WeakPolarHBondContact O-CA 3.44Å; S213-Q316 PolarHBondContact O-N 2.96Å; S213-G317 WeakPolarHBondContact O-CA 3.29Å; S213-G317 PolarHBondContact O-N 2.99Å
214	N	85.3	Confident	90.4	Very high	135 Å²	135	45.7 Å²	45.7	72%	0.722	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	12.2	-176.4	-67	-32.5	0	0	0	112.5	D212 G315	D212-N214 PolarHBondContact O-N 3.34Å; D212-N214 VanDerWaalsContact O-N 3.14Å; N214-G315 WeakPolarHBondContact OD1-CA 3.48Å
215	E	90.6	Very high	89	Confident	30 Å²	30	47.4 Å²	47.4	14%	0.14	28%	0.276	C	S	.	.			trans	-70.6	134.6	-178.7	-67.2	169.2	174.7	0	0	111	T211 D212 T234	T211-E215 HydrophobicContact CG2-CB 4.36Å; T211-E215 PolarHBondContact OG1-O 3.05Å; D212-E215 PolarHBondContact N-OE2 3.35Å; D212-E215 WeakPolarHBondContact O-CB 3.42Å; D212-E215 WeakPolarHBondContact O-CG 3.48Å; D212-E215 PolarHBondContact O-N 3.26Å; D212-E215 VanDerWaalsContact O-N 3.1Å; E215-T234 HydrophobicContact CG-CG2 4.2Å; E215-T234 VanDerWaalsContact OE1-CB 3.25Å; E215-T234 WeakPolarHBondContact OE1-CB 3.17Å; E215-T234 WeakPolarHBondContact OE1-CG2 3.17Å; E215-T234 VanDerWaalsContact OE2-CG2 3.27Å; E215-T234 WeakPolarHBondContact OE2-CG2 3.39Å
216	V	89.3	Confident	88	Confident	81 Å²	81	52.5 Å²	52.5	49%	0.491	30%	0.3	S	S	.	.			trans	-113.7	134.3	-172.7	176.7	0	0	0	0	110.5
217	L	93.6	Very high	87.5	Confident	1 Å²	1	54 Å²	54	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.9	168.6	-62.2	172.1	0	0	0	109.7	V209 T211 P219 I230 F240 Q318 L320	V209-L217 HydrophobicContact CG1-CD1 3.5Å; V209-L217 VanDerWaalsContact CG1-CD1 3.5Å; V209-L217 HydrophobicContact CG1-CD2 4.38Å; V209-L217 HydrophobicContact CG2-CD1 4.41Å; V209-L217 HydrophobicContact CG2-CD2 4.29Å; T211-L217 HydrophobicContact CG2-CD1 4.13Å; T211-L217 HydrophobicContact CG2-CD2 3.55Å; T211-L217 HydrophobicContact CG2-CG 3.64Å; L217-P219 VanDerWaalsContact O-CD 3.3Å; L217-P219 WeakPolarHBondContact O-CD 3.47Å; L217-I230 HydrophobicContact CB-CG2 3.76Å; L217-I230 HydrophobicContact CD1-CG2 4.44Å; L217-I230 HydrophobicContact CD2-CG2 3.86Å; L217-I230 HydrophobicContact CG-CG2 4.23Å; L217-F240 HydrophobicContact CD2-CE2 4.41Å; L217-F240 HydrophobicContact CD2-CZ 4.44Å; L217-Q318 HydrophobicContact CD1-CB 4.36Å; L217-L320 HydrophobicContact CD1-CB 3.84Å; L217-L320 HydrophobicContact CD1-CD1 4.48Å
218	I	95.8	Very high	87.2	Confident	103 Å²	103	59.6 Å²	59.6	53%	0.528	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	95.3	179.5	-54.8	172.8	0	0	0	108.1	S231	I218-S231 PolarHBondContact N-O 3.42Å; I218-S231 PolarHBondContact O-N 3.32Å; I218-S231 PolarHBondContact O-OG 2.95Å
219	P	93.8	Very high	87	Confident	30 Å²	30	60.3 Å²	60.3	20%	0.195	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.3	179.8	27.2	-30.9	0	0	0	112.1	L217 L227 W264 L304	L217-P219 VanDerWaalsContact O-CD 3.3Å; L217-P219 WeakPolarHBondContact O-CD 3.47Å; P219-L227 HydrophobicContact CB-CD1 3.46Å; P219-L227 VanDerWaalsContact CB-CD1 3.46Å; P219-W264 HydrophobicContact CG-CE3 4.42Å; P219-W264 HydrophobicContact CG-CH2 4.12Å; P219-W264 HydrophobicContact CG-CZ3 4.05Å; P219-L304 HydrophobicContact CB-CD2 3.43Å; P219-L304 VanDerWaalsContact CB-CD2 3.43Å; P219-L304 HydrophobicContact CG-CD2 3.45Å; P219-L304 VanDerWaalsContact CG-CD2 3.45Å
220	E	93.3	Very high	86.9	Confident	78 Å²	78	60.3 Å²	60.3	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.1	171.2	-177.4	173.1	123.2	0	0	110.5	K228 F229	E220-K228 WeakPolarHBondContact O-CB 3.38Å; E220-K228 PolarHBondContact O-N 2.88Å; E220-K228 WeakPolarHBondContact OE1-CD 3.32Å; E220-K228 IonicContact OE1-NZ 3.16Å; E220-K228 PolarHBondContact OE1-NZ 3.43Å; E220-F229 HydrophobicContact CB-CD1 4.25Å; E220-F229 HydrophobicContact CB-CD2 4.02Å; E220-F229 HydrophobicContact CB-CE1 4.03Å; E220-F229 HydrophobicContact CB-CE2 3.77Å; E220-F229 HydrophobicContact CB-CG 4.27Å; E220-F229 HydrophobicContact CB-CZ 3.81Å; E220-F229 HydrophobicContact CG-CE1 4.1Å; E220-F229 HydrophobicContact CG-CZ 4.09Å; E220-F229 PolarHBondContact N-O 3.29Å; E220-F229 WeakPolarHBondContact OE1-CE1 3.11Å; E220-F229 VanDerWaalsContact OE2-CE1 3.3Å; E220-F229 WeakPolarHBondContact OE2-CE1 3.44Å; E220-F229 WeakPolarHBondContact OE2-CZ 3.41Å
221	V	88.7	Confident	86.9	Confident	68 Å²	68	61.9 Å²	61.9	41%	0.412	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.7	-177.7	-175	0	0	0	0	110.3	L304	V221-L304 HydrophobicContact CG2-CD2 3.87Å
222	G	78.6	Confident	86.9	Confident	30 Å²	30	62.1 Å²	62.1	31%	0.309	35%	0.349	S	S	.	.			trans	-78.5	177.4	175.9	0	0	0	0	0	113.8	K224 G225 Q226	G222-K224 PolarHBondContact O-N 3.43Å; G222-G225 PolarHBondContact O-N 2.93Å; G222-Q226 PolarHBondContact N-O 3.2Å
223	S	62.8	Low	87.2	Confident	136 Å²	136	65 Å²	65	95%	0.951	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-3.8	-174.6	35.8	0	0	0	0	116.3
224	K	65.6	Low	87.7	Confident	182 Å²	182	63.6 Å²	63.6	79%	0.791	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	15	175.5	-66	-176.6	179.1	177.3	0	114	G222 Q226	G222-K224 PolarHBondContact O-N 3.43Å; K224-Q226 PolarHBondContact O-N 3.23Å
225	G	69.9	Low	88.1	Confident	37 Å²	37	62.3 Å²	62.3	38%	0.381	35%	0.353	S	S	.	.	S	Bend	trans	77	5.2	-177.3	0	0	0	0	0	114.4	G222	G222-G225 PolarHBondContact O-N 2.93Å
226	Q	75.8	Confident	88.3	Confident	107 Å²	107	63.8 Å²	63.8	50%	0.5	36%	0.359	S	S	.	.			trans	-81.3	133.2	177.4	-68.1	176.8	-31.5	0	0	110.4	G222 K224 K228	G222-Q226 PolarHBondContact N-O 3.2Å; K224-Q226 PolarHBondContact O-N 3.23Å; Q226-K228 PolarHBondContact O-N 3.05Å
227	L	90.1	Very high	88.7	Confident	31 Å²	31	60 Å²	60	16%	0.162	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.7	175	-176.6	61.9	0	0	0	109.5	P219 F229 I230 V262 L304 L320 Q322	P219-L227 HydrophobicContact CB-CD1 3.46Å; P219-L227 VanDerWaalsContact CB-CD1 3.46Å; L227-F229 WeakPolarHBondContact CD1-O 3.38Å; L227-I230 HydrophobicContact CD1-CG1 4.28Å; L227-I230 HydrophobicContact CD2-CD1 4.11Å; L227-I230 HydrophobicContact CD2-CG1 3.95Å; L227-I230 HydrophobicContact CG-CG1 4.43Å; L227-V262 HydrophobicContact CD2-CG2 4.21Å; L227-L304 HydrophobicContact CD1-CD2 4.37Å; L227-L320 HydrophobicContact CD2-CD2 4.04Å; L227-Q322 HydrophobicContact CD2-CG 3.77Å
228	K	91.2	Very high	88.8	Confident	119 Å²	119	60.4 Å²	60.4	52%	0.517	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-48.2	-176.8	-175.1	-175.3	162.7	-160.9	0	111.4	E220 Q226	E220-K228 WeakPolarHBondContact O-CB 3.38Å; E220-K228 PolarHBondContact O-N 2.88Å; E220-K228 WeakPolarHBondContact OE1-CD 3.32Å; E220-K228 IonicContact OE1-NZ 3.16Å; E220-K228 PolarHBondContact OE1-NZ 3.43Å; Q226-K228 PolarHBondContact O-N 3.05Å
229	F	95	Very high	88.8	Confident	16 Å²	16	60.4 Å²	60.4	7%	0.07	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	169.8	172.4	62.1	-102.6	0	0	0	110.3	E220 L227 R241 F242	E220-F229 HydrophobicContact CB-CD1 4.25Å; E220-F229 HydrophobicContact CB-CD2 4.02Å; E220-F229 HydrophobicContact CB-CE1 4.03Å; E220-F229 HydrophobicContact CB-CE2 3.77Å; E220-F229 HydrophobicContact CB-CG 4.27Å; E220-F229 HydrophobicContact CB-CZ 3.81Å; E220-F229 HydrophobicContact CG-CE1 4.1Å; E220-F229 HydrophobicContact CG-CZ 4.09Å; E220-F229 PolarHBondContact N-O 3.29Å; E220-F229 WeakPolarHBondContact OE1-CE1 3.11Å; E220-F229 VanDerWaalsContact OE2-CE1 3.3Å; E220-F229 WeakPolarHBondContact OE2-CE1 3.44Å; E220-F229 WeakPolarHBondContact OE2-CZ 3.41Å; L227-F229 WeakPolarHBondContact CD1-O 3.38Å; F229-R241 HydrophobicContact CB-CG 4.03Å; F229-R241 HydrophobicContact CD2-CG 3.87Å; F229-R241 HydrophobicContact CG-CG 4.1Å; F229-F242 CarbonylContact C-O 3.55Å; F229-F242 VanDerWaalsContact CA-O 3.27Å; F229-F242 WeakPolarHBondContact CA-O 3.27Å; F229-F242 VanDerWaalsContact CB-O 3.22Å; F229-F242 WeakPolarHBondContact CB-O 3.47Å
230	I	97.1	Very high	89	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.8	174.9	-55.3	157.9	0	0	0	107	V209 L217 L227 R241 F242 L320	V209-I230 HydrophobicContact CG1-CD1 4.2Å; L217-I230 HydrophobicContact CB-CG2 3.76Å; L217-I230 HydrophobicContact CD1-CG2 4.44Å; L217-I230 HydrophobicContact CD2-CG2 3.86Å; L217-I230 HydrophobicContact CG-CG2 4.23Å; L227-I230 HydrophobicContact CD1-CG1 4.28Å; L227-I230 HydrophobicContact CD2-CD1 4.11Å; L227-I230 HydrophobicContact CD2-CG1 3.95Å; L227-I230 HydrophobicContact CG-CG1 4.43Å; I230-R241 CarbonylContact O-C 3.6Å; I230-R241 WeakPolarHBondContact O-CA 3.38Å; I230-F242 HydrophobicContact CB-CB 4.37Å; I230-F242 PolarHBondContact N-O 3Å; I230-F242 PolarHBondContact O-N 3.32Å; I230-L320 HydrophobicContact CD1-CD1 3.83Å; I230-L320 HydrophobicContact CD1-CD2 3.53Å; I230-L320 HydrophobicContact CD1-CG 4.22Å; I230-L320 HydrophobicContact CG1-CD1 4.1Å; I230-L320 HydrophobicContact CG1-CD2 4.49Å
231	S	97.4	Very high	89.2	Confident	34 Å²	34	60.6 Å²	60.6	24%	0.238	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	159.6	166.8	52.7	0	0	0	0	110.8	I218 F240	I218-S231 PolarHBondContact N-O 3.42Å; I218-S231 PolarHBondContact O-N 3.32Å; I218-S231 PolarHBondContact O-OG 2.95Å; S231-F240 VanDerWaalsContact CA-O 3.3Å; S231-F240 WeakPolarHBondContact CA-O 3.41Å
232	G	96.4	Very high	89.7	Confident	6 Å²	6	57.3 Å²	57.3	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	173.4	173.5	0	0	0	0	0	111	D239 F240	G232-D239 WeakPolarHBondContact O-CA 3.39Å; G232-F240 VanDerWaalsContact CA-CZ 3.48Å; G232-F240 PolarHBondContact N-O 3.28Å; G232-F240 WeakPolarHBondContact O-CD1 3.22Å; G232-F240 PolarHBondContact O-N 3.46Å
233	H	95.9	Very high	90.6	Very high	105 Å²	105	56.4 Å²	56.4	49%	0.486	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	132.7	176.4	-174.9	99.8	0	0	0	109.1	G238 D239	H233-G238 WeakPolarHBondContact CA-O 3.4Å; H233-D239 IonicContact CE1-OD1 3.08Å; H233-D239 IonicContact CG-OD1 3.19Å; H233-D239 IonicContact ND1-OD1 2.75Å; H233-D239 PolarHBondContact ND1-OD1 3.43Å
234	T	95.4	Very high	92.2	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	160	165.9	82.6	0	0	0	0	109.9	E215 E236 L237 G238 F240	E215-T234 HydrophobicContact CG-CG2 4.2Å; E215-T234 VanDerWaalsContact OE1-CB 3.25Å; E215-T234 WeakPolarHBondContact OE1-CB 3.17Å; E215-T234 WeakPolarHBondContact OE1-CG2 3.17Å; E215-T234 VanDerWaalsContact OE2-CG2 3.27Å; E215-T234 WeakPolarHBondContact OE2-CG2 3.39Å; T234-E236 PolarHBondContact O-N 2.99Å; T234-E236 PolarHBondContact OG1-N 2.91Å; T234-L237 HydrophobicContact CG2-CD1 4.33Å; T234-L237 PolarHBondContact O-N 2.98Å; T234-L237 VanDerWaalsContact OG1-CB 3.31Å; T234-L237 WeakPolarHBondContact OG1-CB 3.47Å; T234-L237 PolarHBondContact OG1-N 3.12Å; T234-G238 PolarHBondContact N-O 3.31Å; T234-G238 WeakPolarHBondContact O-CA 3.29Å; T234-G238 PolarHBondContact O-N 3.06Å; T234-F240 HydrophobicContact CG2-CE1 3.81Å; T234-F240 HydrophobicContact CG2-CZ 4.46Å
235	S	93.6	Very high	93.7	Very high	109 Å²	109	43.7 Å²	43.7	76%	0.762	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.6	178	56.9	0	0	0	0	113.4
236	E	95.4	Very high	95	Very high	60 Å²	60	45.3 Å²	45.3	28%	0.28	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-23.5	-177.5	-63.9	179.4	132.7	0	0	113.4	F95 S111 H180 T234	F95-E236 HydrophobicContact CZ-CB 4.07Å; S111-E236 WeakPolarHBondContact CB-OE2 3.34Å; S111-E236 VanDerWaalsContact OG-CD 3.24Å; S111-E236 PolarHBondContact OG-OE1 2.92Å; S111-E236 PolarHBondContact OG-OE2 3.27Å; H180-E236 PolarHBondContact CD2-O 2.79Å; H180-E236 VanDerWaalsContact CD2-O 3.3Å; T234-E236 PolarHBondContact O-N 2.99Å; T234-E236 PolarHBondContact OG1-N 2.91Å
237	L	96.6	Very high	96	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-16.1	-179.2	-72.2	163.6	0	0	0	113.6	F95 W96 T109 L115 H180 T234 F240 F336	F95-L237 HydrophobicContact CD1-CD2 4.28Å; F95-L237 HydrophobicContact CE1-CD2 3.57Å; F95-L237 HydrophobicContact CE1-CG 4.16Å; W96-L237 HydrophobicContact CZ2-CD1 3.88Å; W96-L237 HydrophobicContact CZ2-CD2 3.84Å; T109-L237 HydrophobicContact CG2-CD1 4.25Å; T109-L237 HydrophobicContact CG2-CD2 4.1Å; T109-L237 HydrophobicContact CG2-CG 4.45Å; L115-L237 HydrophobicContact CB-CD1 3.58Å; L115-L237 HydrophobicContact CD2-CD1 3.4Å; L115-L237 HydrophobicContact CG-CD1 4.14Å; H180-L237 VanDerWaalsContact CB-O 3.3Å; H180-L237 WeakPolarHBondContact CB-O 3.48Å; H180-L237 VanDerWaalsContact CG-O 3.27Å; T234-L237 HydrophobicContact CG2-CD1 4.33Å; T234-L237 PolarHBondContact O-N 2.98Å; T234-L237 VanDerWaalsContact OG1-CB 3.31Å; T234-L237 WeakPolarHBondContact OG1-CB 3.47Å; T234-L237 PolarHBondContact OG1-N 3.12Å; L237-F240 HydrophobicContact CB-CD1 4.08Å; L237-F240 HydrophobicContact CD1-CD1 4.49Å; L237-F336 HydrophobicContact CD2-CZ 4.15Å
238	G	96.3	Very high	96.4	Very high	9 Å²	9	39.9 Å²	39.9	9%	0.093	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.4	-150.2	-165.2	0	0	0	0	0	110.9	H233 T234	H233-G238 WeakPolarHBondContact CA-O 3.4Å; T234-G238 PolarHBondContact N-O 3.31Å; T234-G238 WeakPolarHBondContact O-CA 3.29Å; T234-G238 PolarHBondContact O-N 3.06Å
239	D	96.8	Very high	96.7	Very high	104 Å²	104	36.2 Å²	36.2	56%	0.556	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	139.1	174.4	-62.2	-42.8	0	0	0	111.4	G232 H233 G339	G232-D239 WeakPolarHBondContact O-CA 3.39Å; H233-D239 IonicContact CE1-OD1 3.08Å; H233-D239 IonicContact CG-OD1 3.19Å; H233-D239 IonicContact ND1-OD1 2.75Å; H233-D239 PolarHBondContact ND1-OD1 3.43Å; D239-G339 WeakPolarHBondContact O-CA 3.34Å; D239-G339 PolarHBondContact O-N 3.3Å
240	F	97.1	Very high	96.7	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.039	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	166.8	176	62.8	-94	0	0	0	112.8	L115 L217 S231 G232 T234 L237 F242 F336 E337	L115-F240 HydrophobicContact CD1-CZ 4.25Å; L115-F240 HydrophobicContact CD2-CD2 4.31Å; L115-F240 HydrophobicContact CD2-CE1 4.11Å; L115-F240 HydrophobicContact CD2-CE2 3.9Å; L115-F240 HydrophobicContact CD2-CZ 3.77Å; L217-F240 HydrophobicContact CD2-CE2 4.41Å; L217-F240 HydrophobicContact CD2-CZ 4.44Å; S231-F240 VanDerWaalsContact CA-O 3.3Å; S231-F240 WeakPolarHBondContact CA-O 3.41Å; G232-F240 VanDerWaalsContact CA-CZ 3.48Å; G232-F240 PolarHBondContact N-O 3.28Å; G232-F240 WeakPolarHBondContact O-CD1 3.22Å; G232-F240 PolarHBondContact O-N 3.46Å; T234-F240 HydrophobicContact CG2-CE1 3.81Å; T234-F240 HydrophobicContact CG2-CZ 4.46Å; L237-F240 HydrophobicContact CB-CD1 4.08Å; L237-F240 HydrophobicContact CD1-CD1 4.49Å; F240-F242 HydrophobicContact CD2-CD2 4Å; F240-F242 AromaticContact CD2-CE2 3.72Å; F240-F242 HydrophobicContact CD2-CE2 3.72Å; F240-F242 AromaticContact CE2-CD2 3.87Å; F240-F242 HydrophobicContact CE2-CD2 3.87Å; F240-F242 AromaticContact CE2-CE2 3.47Å; F240-F242 HydrophobicContact CE2-CE2 3.47Å; F240-F242 VanDerWaalsContact CE2-CE2 3.47Å; F240-F242 HydrophobicContact CE2-CZ 4.49Å; F240-F336 HydrophobicContact CB-CD2 4.36Å; F240-F336 HydrophobicContact CB-CE2 3.44Å; F240-F336 VanDerWaalsContact CB-CE2 3.44Å; F240-F336 HydrophobicContact CB-CZ 3.74Å; F240-F336 HydrophobicContact CD2-CD2 4.44Å; F240-F336 AromaticContact CD2-CE2 3.83Å; F240-F336 HydrophobicContact CD2-CE2 3.83Å; F240-F336 AromaticContact CG-CE2 3.72Å; F240-F336 HydrophobicContact CG-CE2 3.72Å; F240-F336 HydrophobicContact CG-CZ 4.32Å; F240-E337 CarbonylContact C-O 3.58Å; F240-E337 WeakPolarHBondContact CA-O 3.45Å
241	R	97.6	Very high	96.4	Very high	102 Å²	102	41.9 Å²	41.9	39%	0.385	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	136.1	176.8	-179.8	179.4	-71.1	171.5	-2.1	112.3	F229 I230 F336 E337	F229-R241 HydrophobicContact CB-CG 4.03Å; F229-R241 HydrophobicContact CD2-CG 3.87Å; F229-R241 HydrophobicContact CG-CG 4.1Å; I230-R241 CarbonylContact O-C 3.6Å; I230-R241 WeakPolarHBondContact O-CA 3.38Å; R241-F336 WeakPolarHBondContact O-CA 3.19Å; R241-E337 PolarHBondContact N-O 2.93Å; R241-E337 PolarHBondContact O-N 2.91Å
242	F	98.2	Very high	96.1	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	-106.5	131	165.9	-68.6	-73.7	0	0	0	111.4	L115 T117 W184 V209 F229 I230 F240 F334 V335 F336	L115-F242 HydrophobicContact CD2-CE2 3.85Å; L115-F242 HydrophobicContact CD2-CZ 3.75Å; L115-F242 HydrophobicContact CG-CZ 4.41Å; T117-F242 HydrophobicContact CG2-CE1 3.67Å; T117-F242 HydrophobicContact CG2-CZ 3.72Å; W184-F242 HydrophobicContact CH2-CD1 4.27Å; W184-F242 AromaticContact CH2-CE1 3.76Å; W184-F242 HydrophobicContact CH2-CE1 3.76Å; W184-F242 HydrophobicContact CZ2-CD1 4.45Å; W184-F242 AromaticContact CZ2-CE1 3.57Å; W184-F242 HydrophobicContact CZ2-CE1 3.57Å; W184-F242 HydrophobicContact CZ2-CZ 4.41Å; V209-F242 HydrophobicContact CB-CE2 4.3Å; V209-F242 HydrophobicContact CG2-CD2 4.26Å; V209-F242 HydrophobicContact CG2-CE2 3.64Å; V209-F242 HydrophobicContact CG2-CZ 4.14Å; F229-F242 CarbonylContact C-O 3.55Å; F229-F242 VanDerWaalsContact CA-O 3.27Å; F229-F242 WeakPolarHBondContact CA-O 3.27Å; F229-F242 VanDerWaalsContact CB-O 3.22Å; F229-F242 WeakPolarHBondContact CB-O 3.47Å; I230-F242 HydrophobicContact CB-CB 4.37Å; I230-F242 PolarHBondContact N-O 3Å; I230-F242 PolarHBondContact O-N 3.32Å; F240-F242 HydrophobicContact CD2-CD2 4Å; F240-F242 AromaticContact CD2-CE2 3.72Å; F240-F242 HydrophobicContact CD2-CE2 3.72Å; F240-F242 AromaticContact CE2-CD2 3.87Å; F240-F242 HydrophobicContact CE2-CD2 3.87Å; F240-F242 AromaticContact CE2-CE2 3.47Å; F240-F242 HydrophobicContact CE2-CE2 3.47Å; F240-F242 VanDerWaalsContact CE2-CE2 3.47Å; F240-F242 HydrophobicContact CE2-CZ 4.49Å; F242-F334 HydrophobicContact CB-CE2 3.96Å; F242-F334 HydrophobicContact CB-CZ 3.94Å; F242-F334 AromaticContact CD1-CE1 3.92Å; F242-F334 HydrophobicContact CD1-CE1 3.92Å; F242-F334 HydrophobicContact CD1-CE2 4.25Å; F242-F334 AromaticContact CD1-CZ 3.57Å; F242-F334 HydrophobicContact CD1-CZ 3.57Å; F242-F334 HydrophobicContact CE1-CE1 4.33Å; F242-F334 HydrophobicContact CE1-CZ 4.33Å; F242-F334 HydrophobicContact CG-CE2 4.45Å; F242-F334 AromaticContact CG-CZ 3.95Å; F242-F334 HydrophobicContact CG-CZ 3.95Å; F242-V335 CarbonylContact C-O 3.43Å; F242-V335 VanDerWaalsContact CA-O 3.32Å; F242-V335 WeakPolarHBondContact CA-O 3.45Å; F242-F336 HydrophobicContact CD1-CB 4.1Å; F242-F336 AromaticContact CD1-CD2 3.93Å; F242-F336 HydrophobicContact CD1-CD2 3.93Å; F242-F336 HydrophobicContact CE1-CB 3.9Å; F242-F336 AromaticContact CE1-CD2 3.37Å; F242-F336 HydrophobicContact CE1-CD2 3.37Å; F242-F336 HydrophobicContact CE1-CE2 4.28Å; F242-F336 HydrophobicContact CE1-CG 4.04Å; F242-F336 HydrophobicContact CE2-CD2 4.19Å; F242-F336 HydrophobicContact CE2-CE2 4.47Å; F242-F336 AromaticContact CZ-CD2 3.52Å; F242-F336 HydrophobicContact CZ-CD2 3.52Å; F242-F336 AromaticContact CZ-CE2 3.99Å; F242-F336 HydrophobicContact CZ-CE2 3.99Å
243	T	98	Very high	95.8	Very high	10 Å²	10	48.8 Å²	48.8	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.4	174.8	-52.3	0	0	0	0	110.4	L245 V335 R351	T243-L245 HydrophobicContact CG2-CD2 3.82Å; T243-L245 HydrophobicContact CG2-CG 4.48Å; T243-V335 PolarHBondContact N-O 3.44Å; T243-V335 PolarHBondContact O-N 3.43Å; T243-R351 PolarHBondContact OG1-NH2 3.16Å
244	L	97.6	Very high	95.7	Very high	18 Å²	18	46 Å²	46	9%	0.094	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.5	167.4	-175.2	65.2	0	0	0	108.4	F207 Q322 I332 F334	F207-L244 HydrophobicContact CB-CD1 4.47Å; F207-L244 HydrophobicContact CD1-CD1 4.27Å; F207-L244 HydrophobicContact CD2-CD1 3.6Å; F207-L244 HydrophobicContact CD2-CD2 4.05Å; F207-L244 HydrophobicContact CE1-CD1 4.47Å; F207-L244 HydrophobicContact CE2-CD1 3.84Å; F207-L244 HydrophobicContact CG-CD1 3.84Å; F207-L244 HydrophobicContact CZ-CD1 4.29Å; L244-Q322 HydrophobicContact CD2-CB 3.99Å; L244-I332 HydrophobicContact CD1-CD1 3.6Å; L244-I332 HydrophobicContact CD1-CG1 3.88Å; L244-I332 HydrophobicContact CD2-CD1 4.19Å; L244-I332 HydrophobicContact CG-CD1 3.87Å; L244-I332 HydrophobicContact CG-CG1 4.47Å; L244-F334 HydrophobicContact CB-CD2 4.11Å; L244-F334 HydrophobicContact CD1-CB 4.17Å; L244-F334 HydrophobicContact CD1-CD2 4.03Å; L244-F334 HydrophobicContact CD1-CG 4.48Å
245	L	97.1	Very high	95.7	Very high	33 Å²	33	50.7 Å²	50.7	17%	0.173	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-77.3	154	-176.8	-65.7	178.7	0	0	0	111.4	T243 I332 E333 V335 A353	T243-L245 HydrophobicContact CG2-CD2 3.82Å; T243-L245 HydrophobicContact CG2-CG 4.48Å; L245-I332 WeakPolarHBondContact O-CG1 3.17Å; L245-E333 HydrophobicContact CB-CB 4.32Å; L245-E333 HydrophobicContact CD1-CB 4.02Å; L245-E333 PolarHBondContact N-O 3.35Å; L245-V335 HydrophobicContact CD1-CG2 4.14Å; L245-A353 HydrophobicContact CD1-CB 3.56Å
246	P	96.6	Very high	95.8	Very high	71 Å²	71	48.7 Å²	48.7	46%	0.461	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-56.1	140.4	171.2	-23	33.7	0	0	0	110.8	P255	P246-P255 HydrophobicContact CB-CB 4.32Å
247	P	97.6	Very high	95.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-69	153.5	179.8	25.2	-29.2	0	0	0	111.2	P255 K256 Y260 V324 L326 F330 S331 I332	P247-P255 CarbonylContact O-C 3.56Å; P247-K256 PolarHBondContact O-N 2.99Å; P247-Y260 WeakPolarHBondContact CD-OH 3.22Å; P247-V324 HydrophobicContact CG-CG2 4.41Å; P247-L326 HydrophobicContact CB-CD1 4.32Å; P247-L326 HydrophobicContact CB-CD2 3.81Å; P247-L326 HydrophobicContact CG-CD1 4.17Å; P247-L326 HydrophobicContact CG-CD2 3.17Å; P247-L326 HydrophobicContact CG-CG 4.22Å; P247-F330 HydrophobicContact CB-CD2 4.47Å; P247-S331 CarbonylContact C-O 3.55Å; P247-S331 WeakPolarHBondContact CA-O 3.44Å; P247-S331 WeakPolarHBondContact CB-O 3.37Å; P247-I332 HydrophobicContact CB-CB 4.35Å; P247-I332 HydrophobicContact CB-CG1 4.49Å
248	T	98.3	Very high	95.8	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.147	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-125.5	173.1	176.8	65.3	0	0	0	0	110.6	D252 A254 F330 S331	T248-D252 WeakPolarHBondContact CB-O 3.23Å; T248-D252 PolarHBondContact OG1-O 3.05Å; T248-D252 VanDerWaalsContact OG1-O 3.1Å; T248-A254 WeakPolarHBondContact CB-O 3.48Å; T248-A254 WeakPolarHBondContact CG2-O 3.47Å; T248-F330 CarbonylContact O-C 3.59Å; T248-F330 WeakPolarHBondContact O-CA 3.44Å; T248-F330 WeakPolarHBondContact O-CB 3.32Å; T248-S331 PolarHBondContact N-O 3.21Å; T248-S331 PolarHBondContact O-N 3.4Å
249	S	96.4	Very high	95.8	Very high	43 Å²	43	51.5 Å²	51.5	30%	0.301	31%	0.307	S	S	.	.			trans	-70	147.2	160.1	-65.1	0	0	0	0	109.2	G251 D252	S249-G251 PolarHBondContact O-N 2.93Å; S249-D252 PolarHBondContact O-N 3.02Å
250	P	95.2	Very high	95.7	Very high	46 Å²	46	50.1 Å²	50.1	30%	0.299	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	129.7	178	-23.2	34.9	0	0	0	111.6	T189 D252 P329 S331	T189-P250 HydrophobicContact CG2-CB 3.97Å; T189-P250 HydrophobicContact CG2-CG 3.88Å; P250-D252 VanDerWaalsContact C-N 3.29Å; P250-D252 PolarHBondContact O-N 3.24Å; P250-P329 HydrophobicContact CG-CB 3.95Å; P250-S331 WeakPolarHBondContact CA-OG 3.41Å
251	G	90.7	Very high	95.7	Very high	89 Å²	89	50 Å²	50	92%	0.918	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-2	-177.7	0	0	0	0	0	115.7	S249	S249-G251 PolarHBondContact O-N 2.93Å
252	D	91.4	Very high	95.7	Very high	81 Å²	81	45.7 Å²	45.7	43%	0.433	28%	0.279	S	S	.	.			trans	-110.8	162.6	178.9	-165.8	-3.7	0	0	0	111.3	T248 S249 P250 A254	T248-D252 WeakPolarHBondContact CB-O 3.23Å; T248-D252 PolarHBondContact OG1-O 3.05Å; T248-D252 VanDerWaalsContact OG1-O 3.1Å; S249-D252 PolarHBondContact O-N 3.02Å; P250-D252 VanDerWaalsContact C-N 3.29Å; P250-D252 PolarHBondContact O-N 3.24Å; D252-A254 PolarHBondContact OD1-N 3.32Å; D252-A254 VanDerWaalsContact OD1-N 3.08Å
253	T	90.7	Very high	95.6	Very high	104 Å²	104	45.9 Å²	45.9	64%	0.638	28%	0.28	S	S	*	.			trans	-106.4	-12	175.4	60.1	0	0	0	0	113.1
254	A	93.6	Very high	95.5	Very high	47 Å²	47	47.2 Å²	47.2	39%	0.388	28%	0.284	S	S	.	.	S	Bend	trans	-67.7	128.1	178.5	0	0	0	0	0	111.9	T248 D252	T248-A254 WeakPolarHBondContact CB-O 3.48Å; T248-A254 WeakPolarHBondContact CG2-O 3.47Å; D252-A254 PolarHBondContact OD1-N 3.32Å; D252-A254 VanDerWaalsContact OD1-N 3.08Å
255	P	95.3	Very high	95.4	Very high	104 Å²	104	46.3 Å²	46.3	68%	0.675	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-65.9	136.6	178.9	-19.1	30.5	0	0	0	112.6	P246 P247	P246-P255 HydrophobicContact CB-CB 4.32Å; P247-P255 CarbonylContact O-C 3.56Å
256	K	95.3	Very high	95.3	Very high	66 Å²	66	45 Å²	45	29%	0.287	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-97.1	149.2	167.7	-69	-175.2	73.9	166.1	0	110.8	P247 G258 P329 F330	P247-K256 PolarHBondContact O-N 2.99Å; K256-G258 PolarHBondContact O-N 2.92Å; K256-P329 PolarHBondContact NZ-O 2.88Å; K256-F330 HydrophobicContact CD-CB 4.48Å
257	Y	95.6	Very high	95.2	Very high	114 Å²	114	42.3 Å²	42.3	45%	0.447	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-67.8	119.3	173.5	-179.5	-87	0	0	0	110.9	H287 R288 P289 L326	Y257-H287 AromaticContact CD1-CE1 3.73Å; Y257-H287 AromaticContact CE1-ND1 3.94Å; Y257-R288 VanDerWaalsContact CE1-O 3.31Å; Y257-R288 WeakPolarHBondContact CE1-O 3.37Å; Y257-P289 HydrophobicContact CD1-CB 4.38Å; Y257-L326 VanDerWaalsContact O-CD2 3.26Å; Y257-L326 WeakPolarHBondContact O-CD2 3.48Å
258	G	95.5	Very high	94.9	Very high	8 Å²	8	42.8 Å²	42.8	8%	0.082	26%	0.258	C	S	.	.			trans	-118.3	151	172.8	0	0	0	0	0	112.8	K256 Y260 L326	K256-G258 PolarHBondContact O-N 2.92Å; G258-Y260 WeakPolarHBondContact O-CD2 3.42Å; G258-Y260 WeakPolarHBondContact O-CE2 3.44Å; G258-L326 VanDerWaalsContact CA-CD2 3.44Å
259	S	96.7	Very high	94.7	Very high	8 Å²	8	42.4 Å²	42.4	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.5	169	-65.6	0	0	0	0	110.4	H287 V324 T325	S259-H287 WeakPolarHBondContact OG-CA 3.32Å; S259-H287 PolarHBondContact OG-ND1 3.24Å; S259-V324 CarbonylContact O-C 3.53Å; S259-V324 WeakPolarHBondContact O-CA 3.45Å; S259-T325 PolarHBondContact N-O 3.3Å; S259-T325 VanDerWaalsContact N-O 3.07Å; S259-T325 PolarHBondContact O-N 3.21Å
260	Y	96	Very high	94.6	Very high	76 Å²	76	41.3 Å²	41.3	30%	0.298	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.6	-173	-59.5	-92.2	0	0	0	112.2	P247 G258 Q323 V324	P247-Y260 WeakPolarHBondContact CD-OH 3.22Å; G258-Y260 WeakPolarHBondContact O-CD2 3.42Å; G258-Y260 WeakPolarHBondContact O-CE2 3.44Å; Y260-Q323 WeakPolarHBondContact CA-O 3.32Å; Y260-V324 HydrophobicContact CD1-CB 4.31Å; Y260-V324 HydrophobicContact CD1-CG2 4.15Å; Y260-V324 HydrophobicContact CE1-CB 4.26Å; Y260-V324 HydrophobicContact CE1-CG2 3.76Å
261	N	96.8	Very high	94.6	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160	170.9	-52.1	73	0	0	0	108.7	F285 Y297 L300 P301 Q323	N261-F285 WeakPolarHBondContact ND2-CE2 3.26Å; N261-F285 WeakPolarHBondContact ND2-CZ 3.48Å; N261-Y297 VanDerWaalsContact OD1-CE2 3.3Å; N261-Y297 WeakPolarHBondContact OD1-CE2 3.4Å; N261-Y297 PolarHBondContact OD1-OH 3.17Å; N261-L300 HydrophobicContact CB-CB 3.81Å; N261-L300 WeakPolarHBondContact CB-O 3.42Å; N261-L300 PolarHBondContact ND2-O 3.28Å; N261-P301 WeakPolarHBondContact CA-O 3.48Å; N261-P301 WeakPolarHBondContact CB-O 3.48Å; N261-Q323 HydrophobicContact CB-CB 4.09Å; N261-Q323 PolarHBondContact N-O 3.09Å; N261-Q323 PolarHBondContact O-N 3.2Å
262	V	96.4	Very high	94.8	Very high	12 Å²	12	42.1 Å²	42.1	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.3	-176	62.5	0	0	0	0	111.1	L227 P301 L304 L320 I321 Q322	L227-V262 HydrophobicContact CD2-CG2 4.21Å; V262-P301 PolarHBondContact N-O 2.96Å; V262-P301 WeakPolarHBondContact O-CD 3.41Å; V262-L304 HydrophobicContact CG1-CB 3.89Å; V262-L304 HydrophobicContact CG1-CD1 4Å; V262-L304 HydrophobicContact CG2-CD1 3.7Å; V262-L320 HydrophobicContact CG2-CD2 4.05Å; V262-I321 WeakPolarHBondContact CA-O 3.33Å; V262-I321 WeakPolarHBondContact CG2-O 3.36Å; V262-Q322 HydrophobicContact CG2-CG 4.39Å
263	F	96.8	Very high	95.1	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.022	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.9	173.9	177.3	-114.5	0	0	0	110.1	T265 M276 R280 L300 E307 F319 L320 I321	F263-T265 HydrophobicContact CD1-CG2 4.33Å; F263-T265 HydrophobicContact CE1-CG2 3.39Å; F263-T265 HydrophobicContact CE2-CG2 4.43Å; F263-T265 HydrophobicContact CZ-CG2 3.45Å; F263-T265 VanDerWaalsContact CZ-CG2 3.45Å; F263-M276 HydrophobicContact CE1-CG 3.78Å; F263-M276 HydrophobicContact CE1-SD 4.09Å; F263-M276 HydrophobicContact CZ-CG 4.42Å; F263-M276 HydrophobicContact CZ-SD 4.12Å; F263-R280 HydrophobicContact CD2-CG 4.28Å; F263-R280 HydrophobicContact CE1-CG 4.31Å; F263-R280 HydrophobicContact CE2-CG 3.97Å; F263-R280 HydrophobicContact CZ-CG 3.98Å; F263-L300 HydrophobicContact CB-CB 4.42Å; F263-L300 HydrophobicContact CB-CD1 3.94Å; F263-L300 HydrophobicContact CB-CD2 4.14Å; F263-L300 HydrophobicContact CB-CG 4.4Å; F263-E307 HydrophobicContact CE2-CB 4.18Å; F263-E307 WeakPolarHBondContact CE2-OE2 3.4Å; F263-F319 HydrophobicContact CD1-CD1 4.2Å; F263-F319 AromaticContact CD1-CE1 3.91Å; F263-F319 HydrophobicContact CD1-CE1 3.91Å; F263-F319 HydrophobicContact CE1-CD1 4.15Å; F263-F319 HydrophobicContact CE1-CE1 4.1Å; F263-L320 WeakPolarHBondContact O-CA 3.36Å; F263-I321 HydrophobicContact CB-CG2 3.75Å; F263-I321 HydrophobicContact CD1-CG2 4.11Å; F263-I321 HydrophobicContact CG-CG2 4.45Å; F263-I321 PolarHBondContact N-O 3.31Å; F263-I321 PolarHBondContact O-N 2.84Å
264	W	96.3	Very high	95.4	Very high	37 Å²	37	34.2 Å²	34.2	14%	0.14	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	123.7	-176.3	-177.6	35.3	0	0	0	111.2	P219 L304 W306 E307 Q318 F319 L320	P219-W264 HydrophobicContact CG-CE3 4.42Å; P219-W264 HydrophobicContact CG-CH2 4.12Å; P219-W264 HydrophobicContact CG-CZ3 4.05Å; W264-L304 HydrophobicContact CB-CD1 3.92Å; W264-L304 HydrophobicContact CE3-CD1 4.15Å; W264-L304 HydrophobicContact CE3-CG 4.33Å; W264-L304 HydrophobicContact CG-CD1 4.49Å; W264-W306 AromaticContact CD1-CZ3 3.99Å; W264-W306 AromaticContact CD2-CE3 3.63Å; W264-W306 HydrophobicContact CD2-CE3 3.63Å; W264-W306 HydrophobicContact CD2-CZ3 4.27Å; W264-W306 AromaticContact CE2-CE3 3.51Å; W264-W306 AromaticContact CE2-CZ3 3.81Å; W264-W306 HydrophobicContact CE3-CB 3.95Å; W264-W306 HydrophobicContact CE3-CE3 4.07Å; W264-W306 AromaticContact CG-CE3 3.99Å; W264-W306 HydrophobicContact CG-CE3 3.99Å; W264-W306 HydrophobicContact CG-CZ3 4.38Å; W264-W306 HydrophobicContact CH2-CE3 4.31Å; W264-W306 AromaticContact CZ2-CE3 3.89Å; W264-W306 HydrophobicContact CZ2-CE3 3.89Å; W264-W306 HydrophobicContact CZ2-CZ3 4.25Å; W264-W306 HydrophobicContact CZ3-CB 3.97Å; W264-W306 HydrophobicContact CZ3-CE3 4.39Å; W264-W306 AromaticContact NE1-CE3 3.78Å; W264-W306 AromaticContact NE1-CZ3 3.63Å; W264-E307 PolarHBondContact O-N 2.94Å; W264-Q318 VanDerWaalsContact NE1-OE1 3.09Å; W264-F319 WeakPolarHBondContact CA-O 3.49Å; W264-L320 HydrophobicContact CB-CD1 4.42Å; W264-L320 HydrophobicContact CB-CG 4.14Å; W264-L320 HydrophobicContact CD2-CD1 4.48Å; W264-L320 HydrophobicContact CG-CB 4.35Å; W264-L320 HydrophobicContact CG-CD1 4.05Å; W264-L320 HydrophobicContact CG-CG 4.15Å
265	T	95.3	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	178.3	-177.6	-172.2	0	0	0	0	110.7	F263 W306 E307 R309 F319	F263-T265 HydrophobicContact CD1-CG2 4.33Å; F263-T265 HydrophobicContact CE1-CG2 3.39Å; F263-T265 HydrophobicContact CE2-CG2 4.43Å; F263-T265 HydrophobicContact CZ-CG2 3.45Å; F263-T265 VanDerWaalsContact CZ-CG2 3.45Å; T265-W306 VanDerWaalsContact C-CH2 3.43Å; T265-E307 WeakPolarHBondContact CB-O 3.42Å; T265-E307 PolarHBondContact OG1-O 3.43Å; T265-R309 VanDerWaalsContact OG1-CD 3.26Å; T265-R309 WeakPolarHBondContact OG1-CD 3.3Å; T265-R309 WeakPolarHBondContact OG1-CG 3.23Å; T265-F319 HydrophobicContact CG2-CD1 4.19Å; T265-F319 PolarHBondContact N-O 3.17Å; T265-F319 PolarHBondContact O-N 3.45Å
266	S	94.6	Very high	95.6	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.2	164.3	55.7	0	0	0	0	111.6	R309 G313 G317	S266-R309 PolarHBondContact O-NH1 3.07Å; S266-R309 WeakPolarHBondContact OG-CD 3.36Å; S266-G313 WeakPolarHBondContact CB-O 3.48Å; S266-G313 WeakPolarHBondContact OG-CA 3.49Å; S266-G317 WeakPolarHBondContact CA-O 3.28Å
267	N	94.4	Very high	95.7	Very high	15 Å²	15	30.1 Å²	30.1	8%	0.08	15%	0.152	C	C	.	.			trans	-53.6	126.3	178.3	177.2	17.2	0	0	0	111.6	V210 G269 R309 Q316 G317	V210-N267 HydrophobicContact CG1-CB 4.22Å; N267-G269 VanDerWaalsContact C-N 3.28Å; N267-G269 PolarHBondContact O-N 3.49Å; N267-G269 PolarHBondContact OD1-N 2.93Å; N267-R309 PolarHBondContact O-NH1 3.29Å; N267-Q316 VanDerWaalsContact CB-O 3.23Å; N267-Q316 WeakPolarHBondContact CB-O 3.38Å; N267-Q316 PolarHBondContact ND2-O 3.2Å; N267-Q316 PolarHBondContact O-OE1 2.97Å; N267-G317 PolarHBondContact N-O 3.21Å
268	P	92.5	Very high	95.7	Very high	11 Å²	11	28.2 Å²	28.2	7%	0.071	15%	0.146	C	C	.	.			trans	-80.3	-3.4	175.7	33.9	-36	0	0	0	114.8	L272 L273 M276	P268-L272 HydrophobicContact CB-CB 4.14Å; P268-L272 HydrophobicContact CG-CB 4.33Å; P268-L272 WeakPolarHBondContact O-CD1 3.4Å; P268-L273 HydrophobicContact CG-CD2 3.84Å; P268-M276 HydrophobicContact CB-CE 3.84Å; P268-M276 HydrophobicContact CG-CB 4.27Å; P268-M276 HydrophobicContact CG-CE 4.18Å; P268-M276 HydrophobicContact CG-CG 4.42Å
269	G	92.6	Very high	95.7	Very high	16 Å²	16	30.4 Å²	30.4	17%	0.165	16%	0.16	C	C	.	.			trans	98.5	139	-163.2	0	0	0	0	0	109.8	N267 L272	N267-G269 VanDerWaalsContact C-N 3.28Å; N267-G269 PolarHBondContact O-N 3.49Å; N267-G269 PolarHBondContact OD1-N 2.93Å; G269-L272 PolarHBondContact O-N 3.2Å
270	L	94.6	Very high	95.6	Very high	20 Å²	20	33 Å²	33	11%	0.105	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-61.4	-39.2	-168.9	-59.5	176.3	0	0	0	113.5	L116 V210 L272 L273 D492 E493	L116-L270 HydrophobicContact CD1-CD2 4.46Å; L116-L270 HydrophobicContact CD2-CD1 3.66Å; L116-L270 HydrophobicContact CD2-CD2 4.19Å; V210-L270 HydrophobicContact CB-CD2 4.34Å; V210-L270 HydrophobicContact CG1-CD2 3.94Å; V210-L270 HydrophobicContact CG2-CD2 4.27Å; L270-L272 PolarHBondContact O-N 3.26Å; L270-L273 HydrophobicContact CD2-CD1 4.1Å; L270-L273 VanDerWaalsContact O-CG 3.32Å; L270-L273 WeakPolarHBondContact O-CG 3.49Å; L270-L273 PolarHBondContact O-N 2.65Å; L270-D492 PolarHBondContact N-OD2 2.82Å; L270-E493 HydrophobicContact CB-CG 3.41Å; L270-E493 VanDerWaalsContact CB-CG 3.41Å; L270-E493 HydrophobicContact CD1-CG 3.81Å; L270-E493 HydrophobicContact CG-CG 4.26Å
271	P	94.9	Very high	95.6	Very high	54 Å²	54	29.6 Å²	29.6	35%	0.351	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-62.8	-21.4	175.3	-24	34.3	0	0	0	114.6	D492 A496	P271-D492 VanDerWaalsContact CD-OD2 3.24Å; P271-D492 WeakPolarHBondContact CD-OD2 2.97Å; P271-D492 HydrophobicContact CG-CB 4.17Å; P271-A496 HydrophobicContact CB-CB 3.74Å; P271-A496 HydrophobicContact CG-CB 3.78Å
272	L	96.1	Very high	95.4	Very high	98 Å²	98	34.4 Å²	34.4	51%	0.513	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-94.8	-3.7	-173.5	-59.7	-173.2	0	0	0	113.6	P268 G269 L270 T274 E275 M276	P268-L272 HydrophobicContact CB-CB 4.14Å; P268-L272 HydrophobicContact CG-CB 4.33Å; P268-L272 WeakPolarHBondContact O-CD1 3.4Å; G269-L272 PolarHBondContact O-N 3.2Å; L270-L272 PolarHBondContact O-N 3.26Å; L272-T274 PolarHBondContact O-N 3.32Å; L272-E275 PolarHBondContact O-N 3.43Å; L272-M276 WeakPolarHBondContact O-CB 3.39Å; L272-M276 PolarHBondContact O-N 3.45Å
273	L	97.4	Very high	95.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-43.9	-176.7	-62.6	177.3	0	0	0	112.5	M120 Y208 V210 P268 L270 E275 M276 V277 F319	M120-L273 HydrophobicContact CE-CB 4.07Å; Y208-L273 HydrophobicContact CE2-CD1 4.03Å; V210-L273 HydrophobicContact CG2-CD1 4.13Å; V210-L273 HydrophobicContact CG2-CD2 4.41Å; P268-L273 HydrophobicContact CG-CD2 3.84Å; L270-L273 HydrophobicContact CD2-CD1 4.1Å; L270-L273 VanDerWaalsContact O-CG 3.32Å; L270-L273 WeakPolarHBondContact O-CG 3.49Å; L270-L273 PolarHBondContact O-N 2.65Å; L273-E275 PolarHBondContact O-N 3.14Å; L273-M276 PolarHBondContact O-N 2.94Å; L273-V277 WeakPolarHBondContact O-CG2 3.27Å; L273-V277 PolarHBondContact O-N 3.45Å; L273-F319 HydrophobicContact CD2-CD1 4.19Å; L273-F319 HydrophobicContact CD2-CD2 3.77Å; L273-F319 HydrophobicContact CD2-CE1 4.29Å; L273-F319 HydrophobicContact CD2-CE2 3.85Å; L273-F319 HydrophobicContact CD2-CG 3.92Å; L273-F319 HydrophobicContact CD2-CZ 4.12Å
274	T	97.1	Very high	95.2	Very high	18 Å²	18	43 Å²	43	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-47.5	-179.3	-50.7	0	0	0	0	111.7	L133 H135 L272 V277 K278	L133-T274 HydrophobicContact CD2-CG2 4.18Å; H135-T274 HydrophobicContact CB-CG2 4.44Å; H135-T274 PolarHBondContact ND1-OG1 2.88Å; L272-T274 PolarHBondContact O-N 3.32Å; T274-V277 PolarHBondContact O-N 3.13Å; T274-K278 HydrophobicContact CG2-CD 4.5Å; T274-K278 WeakPolarHBondContact O-CG 3.35Å; T274-K278 PolarHBondContact O-N 3.34Å
275	E	96.1	Very high	95.2	Very high	107 Å²	107	44 Å²	44	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-70.4	-35.2	-179.5	-65	-52.1	125.6	0	0	111.7	L272 L273 K278 S279	L272-E275 PolarHBondContact O-N 3.43Å; L273-E275 PolarHBondContact O-N 3.14Å; E275-K278 PolarHBondContact O-N 3.45Å; E275-K278 IonicContact OE1-NZ 3.75Å; E275-K278 PolarHBondContact OE1-NZ 3.33Å; E275-S279 WeakPolarHBondContact O-CB 3.37Å; E275-S279 PolarHBondContact O-N 3.01Å
276	M	95.9	Very high	95.2	Very high	25 Å²	25	48.3 Å²	48.3	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-50.4	172.1	-178.8	60.2	75.2	0	0	111	F263 P268 L272 L273 S279 R280 F319	F263-M276 HydrophobicContact CE1-CG 3.78Å; F263-M276 HydrophobicContact CE1-SD 4.09Å; F263-M276 HydrophobicContact CZ-CG 4.42Å; F263-M276 HydrophobicContact CZ-SD 4.12Å; P268-M276 HydrophobicContact CB-CE 3.84Å; P268-M276 HydrophobicContact CG-CB 4.27Å; P268-M276 HydrophobicContact CG-CE 4.18Å; P268-M276 HydrophobicContact CG-CG 4.42Å; L272-M276 WeakPolarHBondContact O-CB 3.39Å; L272-M276 PolarHBondContact O-N 3.45Å; L273-M276 PolarHBondContact O-N 2.94Å; M276-S279 PolarHBondContact O-N 2.74Å; M276-S279 PolarHBondContact O-OG 3.01Å; M276-R280 PolarHBondContact O-N 3.15Å; M276-F319 HydrophobicContact CG-CE1 4.37Å
277	V	97.5	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-46.8	179	175.7	0	0	0	0	111.2	M120 L133 F206 L273 T274 S279 R280 L281 L300 F319 I321	M120-V277 HydrophobicContact CE-CG2 4.09Å; M120-V277 HydrophobicContact SD-CB 4.31Å; M120-V277 HydrophobicContact SD-CG1 4.41Å; M120-V277 HydrophobicContact SD-CG2 3.99Å; L133-V277 HydrophobicContact CD1-CG1 4.49Å; L133-V277 HydrophobicContact CD2-CB 3.8Å; L133-V277 HydrophobicContact CD2-CG1 3.57Å; F206-V277 HydrophobicContact CD1-CG1 4.42Å; F206-V277 HydrophobicContact CE1-CG1 4.32Å; L273-V277 WeakPolarHBondContact O-CG2 3.27Å; L273-V277 PolarHBondContact O-N 3.45Å; T274-V277 PolarHBondContact O-N 3.13Å; V277-S279 VanDerWaalsContact C-N 3.27Å; V277-S279 PolarHBondContact O-N 3.39Å; V277-R280 PolarHBondContact O-N 2.86Å; V277-L281 HydrophobicContact CG1-CD1 4.24Å; V277-L281 HydrophobicContact CG1-CG 4.37Å; V277-L281 WeakPolarHBondContact O-CG 3.26Å; V277-L281 PolarHBondContact O-N 3.5Å; V277-L300 HydrophobicContact CG1-CD2 4.47Å; V277-F319 HydrophobicContact CG2-CE1 4.26Å; V277-F319 HydrophobicContact CG2-CZ 3.9Å; V277-I321 HydrophobicContact CG2-CD1 3.62Å
278	K	96.1	Very high	95.4	Very high	73 Å²	73	54.8 Å²	54.8	32%	0.317	27%	0.269	S	S	.	.	H	α-helix	trans	-54.6	-42.8	176.1	-75.2	175.1	-176.2	167	0	112.2	L133 T274 E275 R280 L281	L133-K278 HydrophobicContact CB-CG 4.27Å; L133-K278 HydrophobicContact CD2-CG 3.96Å; T274-K278 HydrophobicContact CG2-CD 4.5Å; T274-K278 WeakPolarHBondContact O-CG 3.35Å; T274-K278 PolarHBondContact O-N 3.34Å; E275-K278 PolarHBondContact O-N 3.45Å; E275-K278 IonicContact OE1-NZ 3.75Å; E275-K278 PolarHBondContact OE1-NZ 3.33Å; K278-R280 PolarHBondContact O-N 2.88Å; K278-L281 PolarHBondContact O-N 2.8Å
279	S	95.1	Very high	95.5	Very high	55 Å²	55	55.4 Å²	55.4	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-24.1	180	80	0	0	0	0	113.8	E275 M276 V277 N282	E275-S279 WeakPolarHBondContact O-CB 3.37Å; E275-S279 PolarHBondContact O-N 3.01Å; M276-S279 PolarHBondContact O-N 2.74Å; M276-S279 PolarHBondContact O-OG 3.01Å; V277-S279 VanDerWaalsContact C-N 3.27Å; V277-S279 PolarHBondContact O-N 3.39Å; S279-N282 PolarHBondContact O-ND2 2.7Å
280	R	95.8	Very high	95.5	Very high	62 Å²	62	60 Å²	60	23%	0.234	30%	0.3	C	S	.	.	H	α-helix	trans	-97.9	-9.4	-179.1	-65	-65.2	-179.9	-78.3	3.3	113.5	F263 M276 V277 K278 N282 L300 E307	F263-R280 HydrophobicContact CD2-CG 4.28Å; F263-R280 HydrophobicContact CE1-CG 4.31Å; F263-R280 HydrophobicContact CE2-CG 3.97Å; F263-R280 HydrophobicContact CZ-CG 3.98Å; M276-R280 PolarHBondContact O-N 3.15Å; V277-R280 PolarHBondContact O-N 2.86Å; K278-R280 PolarHBondContact O-N 2.88Å; R280-N282 PolarHBondContact O-N 2.79Å; R280-L300 HydrophobicContact CB-CD2 3.66Å; R280-E307 IonicContact CZ-OE1 3.73Å; R280-E307 IonicContact CZ-OE2 2.9Å; R280-E307 IonicContact NE-OE1 3.92Å; R280-E307 PolarHBondContact NE-OE1 3.03Å; R280-E307 IonicContact NE-OE2 3.61Å; R280-E307 PolarHBondContact NE-OE2 3.04Å; R280-E307 VanDerWaalsContact NE-OE2 3.16Å; R280-E307 IonicContact NH2-OE1 2.93Å; R280-E307 PolarHBondContact NH2-OE1 2.88Å; R280-E307 IonicContact NH2-OE2 3.52Å
281	L	95.3	Very high	95.3	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	34%	0.342	C	S	.	.			trans	-77.4	56.9	167.9	-70.2	174.7	0	0	0	111.3	F206 V277 K278 L300	F206-L281 HydrophobicContact CE1-CD2 4.02Å; F206-L281 HydrophobicContact CZ-CD1 4.22Å; F206-L281 HydrophobicContact CZ-CD2 4.09Å; V277-L281 HydrophobicContact CG1-CD1 4.24Å; V277-L281 HydrophobicContact CG1-CG 4.37Å; V277-L281 WeakPolarHBondContact O-CG 3.26Å; V277-L281 PolarHBondContact O-N 3.5Å; K278-L281 PolarHBondContact O-N 2.8Å; L281-L300 HydrophobicContact CD2-CD2 4.27Å; L281-L300 HydrophobicContact CD2-CG 4.2Å
282	N	92.7	Very high	95.2	Very high	106 Å²	106	63.6 Å²	63.6	57%	0.567	35%	0.346	S	S	*	.			trans	-113.5	-0.9	-168.2	63.6	23.8	0	0	0	114.2	S279 R280	S279-N282 PolarHBondContact O-ND2 2.7Å; R280-N282 PolarHBondContact O-N 2.79Å
283	S	93.9	Very high	95	Very high	55 Å²	55	63.6 Å²	63.6	39%	0.385	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.9	-174.9	-65.4	0	0	0	0	111.3	F285 G299	S283-F285 WeakPolarHBondContact O-CD2 3.35Å; S283-G299 PolarHBondContact O-N 3.17Å
284	W	94.9	Very high	94.9	Very high	141 Å²	141	67.2 Å²	67.2	53%	0.534	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134	178.5	-72	97.8	0	0	0	111.7	R296 L298	W284-R296 HydrophobicContact CE3-CB 3.91Å; W284-R296 HydrophobicContact CZ3-CB 4.08Å; W284-L298 HydrophobicContact CD2-CD2 3.93Å; W284-L298 HydrophobicContact CD2-CG 4.26Å; W284-L298 HydrophobicContact CE3-CD2 4.34Å; W284-L298 HydrophobicContact CE3-CG 4.19Å; W284-L298 HydrophobicContact CG-CD2 4.25Å; W284-L298 HydrophobicContact CH2-CD1 4.39Å; W284-L298 HydrophobicContact CH2-CG 4.11Å; W284-L298 HydrophobicContact CZ2-CD1 4.36Å; W284-L298 HydrophobicContact CZ2-CD2 4.23Å; W284-L298 HydrophobicContact CZ2-CG 4.15Å; W284-L298 HydrophobicContact CZ3-CG 4.13Å
285	F	95.7	Very high	94.8	Very high	59 Å²	59	68.7 Å²	68.7	26%	0.259	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	171.8	174.9	-65.8	-93.1	0	0	0	110.7	N261 S283 R296 Y297 L300	N261-F285 WeakPolarHBondContact ND2-CE2 3.26Å; N261-F285 WeakPolarHBondContact ND2-CZ 3.48Å; S283-F285 WeakPolarHBondContact O-CD2 3.35Å; F285-R296 WeakPolarHBondContact O-CA 3.21Å; F285-Y297 HydrophobicContact CB-CD1 4.05Å; F285-Y297 HydrophobicContact CB-CD2 4.42Å; F285-Y297 HydrophobicContact CB-CE1 3.41Å; F285-Y297 VanDerWaalsContact CB-CE1 3.41Å; F285-Y297 HydrophobicContact CB-CE2 3.84Å; F285-Y297 HydrophobicContact CB-CG 4.5Å; F285-Y297 WeakPolarHBondContact CB-OH 3.4Å; F285-Y297 HydrophobicContact CD2-CE2 4.43Å; F285-Y297 HydrophobicContact CG-CE2 4.38Å; F285-Y297 PolarHBondContact N-O 2.78Å; F285-Y297 PolarHBondContact O-N 3.37Å; F285-Y297 VanDerWaalsContact O-N 3.08Å; F285-L300 WeakPolarHBondContact CE2-O 3.44Å; F285-L300 VanDerWaalsContact CZ-O 3.27Å; F285-L300 WeakPolarHBondContact CZ-O 3.3Å
286	Q	96.1	Very high	94.7	Very high	91 Å²	91	71 Å²	71	43%	0.425	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.3	175.8	-70.4	-174.7	-14.1	0	0	110.9	R288 E295	Q286-R288 HydrophobicContact CB-CG 4.23Å; Q286-R288 VanDerWaalsContact OE1-CZ 3.32Å; Q286-E295 CarbonylContact C-O 3.54Å; Q286-E295 WeakPolarHBondContact CA-O 3.45Å
287	H	96.4	Very high	94.7	Very high	3 Å²	3	70.1 Å²	70.1	1%	0.014	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.4	165.2	178.8	63.2	0	0	0	108.5	L202 Y257 S259 P289 P294 E295 Y297 T325	L202-H287 HydrophobicContact CD1-CB 4.43Å; Y257-H287 AromaticContact CD1-CE1 3.73Å; Y257-H287 AromaticContact CE1-ND1 3.94Å; S259-H287 WeakPolarHBondContact OG-CA 3.32Å; S259-H287 PolarHBondContact OG-ND1 3.24Å; H287-P289 VanDerWaalsContact C-CD 3.47Å; H287-P289 WeakPolarHBondContact O-CD 3.35Å; H287-P294 CarbonylContact O-C 3.6Å; H287-P294 WeakPolarHBondContact O-CA 3.22Å; H287-E295 PolarHBondContact N-O 3.06Å; H287-E295 PolarHBondContact O-N 2.85Å; H287-Y297 HydrophobicContact CB-CD1 4.13Å; H287-Y297 HydrophobicContact CB-CE1 4.22Å; H287-T325 PolarHBondContact CE1-O 2.88Å; H287-T325 PolarHBondContact ND1-O 2.93Å
288	R	96.3	Very high	94.6	Very high	152 Å²	152	70.7 Å²	70.7	57%	0.574	39%	0.386	S	S	*	.			trans	-123.8	69.7	-172.9	-63	-176.5	-178.1	162.1	-0.7	111.1	Y257 Q286 P294	Y257-R288 VanDerWaalsContact CE1-O 3.31Å; Y257-R288 WeakPolarHBondContact CE1-O 3.37Å; Q286-R288 HydrophobicContact CB-CG 4.23Å; Q286-R288 VanDerWaalsContact OE1-CZ 3.32Å; R288-P294 HydrophobicContact CG-CB 4.05Å; R288-P294 HydrophobicContact CG-CG 4.15Å
289	P	94.5	Very high	94.6	Very high	24 Å²	24	67.2 Å²	67.2	16%	0.156	37%	0.371	C	S	.	.			trans	-66.3	145.3	179.1	26.8	-30.7	0	0	0	111	Y257 H287 G291 A292	Y257-P289 HydrophobicContact CD1-CB 4.38Å; H287-P289 VanDerWaalsContact C-CD 3.47Å; H287-P289 WeakPolarHBondContact O-CD 3.35Å; P289-G291 PolarHBondContact O-N 3.02Å; P289-A292 HydrophobicContact CG-CB 3.89Å; P289-A292 PolarHBondContact O-N 3.07Å
290	P	92.7	Very high	94.7	Very high	111 Å²	111	64.6 Å²	64.6	72%	0.721	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	132.7	175.5	-24.1	33.2	0	0	0	111.9	A292	P290-A292 VanDerWaalsContact C-N 3.27Å; P290-A292 PolarHBondContact O-N 3.49Å
291	G	91.6	Very high	94.7	Very high	95 Å²	95	64.2 Å²	64.2	98%	0.979	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	10	175.9	0	0	0	0	0	115.9	P289	P289-G291 PolarHBondContact O-N 3.02Å
292	A	91.9	Very high	94.4	Very high	55 Å²	55	66.2 Å²	66.2	46%	0.455	38%	0.38	S	S	.	.	S	Bend	trans	-136.3	155.5	177.5	0	0	0	0	0	112.5	P289 P290	P289-A292 HydrophobicContact CG-CB 3.89Å; P289-A292 PolarHBondContact O-N 3.07Å; P290-A292 VanDerWaalsContact C-N 3.27Å; P290-A292 PolarHBondContact O-N 3.49Å
293	S	92.1	Very high	94	Very high	98 Å²	98	63.7 Å²	63.7	69%	0.685	37%	0.371	S	S	*	.			trans	-64.3	143.4	-178.4	-62.7	0	0	0	0	112
294	P	94.7	Very high	93.9	Very high	76 Å²	76	62.7 Å²	62.7	49%	0.494	36%	0.361	S	S	.	.			trans	-61.9	141.3	176.1	-24.4	34.5	0	0	0	113.2	H287 R288	H287-P294 CarbonylContact O-C 3.6Å; H287-P294 WeakPolarHBondContact O-CA 3.22Å; R288-P294 HydrophobicContact CG-CB 4.05Å; R288-P294 HydrophobicContact CG-CG 4.15Å
295	E	94.7	Very high	93.7	Very high	50 Å²	50	63.4 Å²	63.4	23%	0.234	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.1	176.4	-71.8	171.7	-85.9	0	0	111.3	L202 Q286 H287 K327	L202-E295 HydrophobicContact CD2-CB 3.88Å; Q286-E295 CarbonylContact C-O 3.54Å; Q286-E295 WeakPolarHBondContact CA-O 3.45Å; H287-E295 PolarHBondContact N-O 3.06Å; H287-E295 PolarHBondContact O-N 2.85Å; E295-K327 VanDerWaalsContact OE1-CD 3.29Å; E295-K327 WeakPolarHBondContact OE1-CD 3.31Å; E295-K327 WeakPolarHBondContact OE1-CE 3.34Å; E295-K327 IonicContact OE1-NZ 2.67Å; E295-K327 PolarHBondContact OE1-NZ 3.34Å; E295-K327 WeakPolarHBondContact OE2-CE 3.43Å; E295-K327 IonicContact OE2-NZ 3.01Å; E295-K327 PolarHBondContact OE2-NZ 3.42Å
296	R	94.8	Very high	93.5	Very high	154 Å²	154	65.8 Å²	65.8	58%	0.581	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	140.1	179.6	-67.1	-177	77.3	-178.2	3.2	110.7	W284 F285	W284-R296 HydrophobicContact CE3-CB 3.91Å; W284-R296 HydrophobicContact CZ3-CB 4.08Å; F285-R296 WeakPolarHBondContact O-CA 3.21Å
297	Y	96.1	Very high	93.4	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.027	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.7	172.8	71	-82.7	0	0	0	111.2	N261 F285 H287 T325	N261-Y297 VanDerWaalsContact OD1-CE2 3.3Å; N261-Y297 WeakPolarHBondContact OD1-CE2 3.4Å; N261-Y297 PolarHBondContact OD1-OH 3.17Å; F285-Y297 HydrophobicContact CB-CD1 4.05Å; F285-Y297 HydrophobicContact CB-CD2 4.42Å; F285-Y297 HydrophobicContact CB-CE1 3.41Å; F285-Y297 VanDerWaalsContact CB-CE1 3.41Å; F285-Y297 HydrophobicContact CB-CE2 3.84Å; F285-Y297 HydrophobicContact CB-CG 4.5Å; F285-Y297 WeakPolarHBondContact CB-OH 3.4Å; F285-Y297 HydrophobicContact CD2-CE2 4.43Å; F285-Y297 HydrophobicContact CG-CE2 4.38Å; F285-Y297 PolarHBondContact N-O 2.78Å; F285-Y297 PolarHBondContact O-N 3.37Å; F285-Y297 VanDerWaalsContact O-N 3.08Å; H287-Y297 HydrophobicContact CB-CD1 4.13Å; H287-Y297 HydrophobicContact CB-CE1 4.22Å; Y297-T325 HydrophobicContact CD1-CG2 4.27Å; Y297-T325 HydrophobicContact CD2-CG2 4.01Å; Y297-T325 HydrophobicContact CE2-CG2 4.49Å; Y297-T325 HydrophobicContact CG-CG2 3.91Å
298	L	96.3	Very high	92.7	Very high	12 Å²	12	69.8 Å²	69.8	6%	0.063	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.9	169.4	-78.5	167.7	0	0	0	109.4	Q124 W284 Q323	Q124-L298 PolarHBondContact NE2-O 3.49Å; Q124-L298 VanDerWaalsContact NE2-O 3.12Å; Q124-L298 VanDerWaalsContact OE1-N 3.13Å; W284-L298 HydrophobicContact CD2-CD2 3.93Å; W284-L298 HydrophobicContact CD2-CG 4.26Å; W284-L298 HydrophobicContact CE3-CD2 4.34Å; W284-L298 HydrophobicContact CE3-CG 4.19Å; W284-L298 HydrophobicContact CG-CD2 4.25Å; W284-L298 HydrophobicContact CH2-CD1 4.39Å; W284-L298 HydrophobicContact CH2-CG 4.11Å; W284-L298 HydrophobicContact CZ2-CD1 4.36Å; W284-L298 HydrophobicContact CZ2-CD2 4.23Å; W284-L298 HydrophobicContact CZ2-CG 4.15Å; W284-L298 HydrophobicContact CZ3-CG 4.13Å; L298-Q323 PolarHBondContact O-NE2 3.35Å
299	G	95.9	Very high	92.1	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.9	-174.4	0	0	0	0	0	113.8	S283 Q323	S283-G299 PolarHBondContact O-N 3.17Å; G299-Q323 VanDerWaalsContact CA-OE1 3.28Å
300	L	96.7	Very high	91.3	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	39%	0.387	C	S	.	.	S	Bend	trans	-66.3	176.7	164.4	-65.5	177.3	0	0	0	110.7	F206 N261 F263 V277 R280 L281 F285 G302 I321 Q323	F206-L300 HydrophobicContact CD1-CD1 4.12Å; F206-L300 HydrophobicContact CE1-CD1 4.21Å; F206-L300 HydrophobicContact CE1-CG 4.37Å; N261-L300 HydrophobicContact CB-CB 3.81Å; N261-L300 WeakPolarHBondContact CB-O 3.42Å; N261-L300 PolarHBondContact ND2-O 3.28Å; F263-L300 HydrophobicContact CB-CB 4.42Å; F263-L300 HydrophobicContact CB-CD1 3.94Å; F263-L300 HydrophobicContact CB-CD2 4.14Å; F263-L300 HydrophobicContact CB-CG 4.4Å; V277-L300 HydrophobicContact CG1-CD2 4.47Å; R280-L300 HydrophobicContact CB-CD2 3.66Å; L281-L300 HydrophobicContact CD2-CD2 4.27Å; L281-L300 HydrophobicContact CD2-CG 4.2Å; F285-L300 WeakPolarHBondContact CE2-O 3.44Å; F285-L300 VanDerWaalsContact CZ-O 3.27Å; F285-L300 WeakPolarHBondContact CZ-O 3.3Å; L300-G302 PolarHBondContact O-N 3.11Å; L300-I321 HydrophobicContact CD1-CG2 3.8Å; L300-Q323 HydrophobicContact CD1-CB 4.16Å
301	P	94.7	Very high	90.3	Very high	53 Å²	53	66 Å²	66	34%	0.344	39%	0.388	S	S	.	.			trans	-51.7	137.2	174	-28.7	36.7	0	0	0	113.1	N261 V262 S303	N261-P301 WeakPolarHBondContact CA-O 3.48Å; N261-P301 WeakPolarHBondContact CB-O 3.48Å; V262-P301 PolarHBondContact N-O 2.96Å; V262-P301 WeakPolarHBondContact O-CD 3.41Å; P301-S303 PolarHBondContact O-N 3.32Å
302	G	88.8	Confident	89	Confident	47 Å²	47	65 Å²	65	49%	0.485	37%	0.366	S	S	.	.	S	Bend	trans	-77	-3.6	-175.2	0	0	0	0	0	115.2	L300	L300-G302 PolarHBondContact O-N 3.11Å
303	S	85.9	Confident	87.6	Confident	54 Å²	54	62.8 Å²	62.8	38%	0.378	35%	0.349	S	S	.	.	S	Bend	trans	-147.2	150.3	177.4	59.8	0	0	0	0	109.6	P301 K305	P301-S303 PolarHBondContact O-N 3.32Å; S303-K305 PolarHBondContact O-N 3.46Å
304	L	90.5	Very high	86.5	Confident	33 Å²	33	65.5 Å²	65.5	17%	0.173	35%	0.351	C	S	.	.			trans	-68	122	-178.4	-174.4	73	0	0	0	111.4	P219 V221 L227 V262 W264	P219-L304 HydrophobicContact CB-CD2 3.43Å; P219-L304 VanDerWaalsContact CB-CD2 3.43Å; P219-L304 HydrophobicContact CG-CD2 3.45Å; P219-L304 VanDerWaalsContact CG-CD2 3.45Å; V221-L304 HydrophobicContact CG2-CD2 3.87Å; L227-L304 HydrophobicContact CD1-CD2 4.37Å; V262-L304 HydrophobicContact CG1-CB 3.89Å; V262-L304 HydrophobicContact CG1-CD1 4Å; V262-L304 HydrophobicContact CG2-CD1 3.7Å; W264-L304 HydrophobicContact CB-CD1 3.92Å; W264-L304 HydrophobicContact CE3-CD1 4.15Å; W264-L304 HydrophobicContact CE3-CG 4.33Å; W264-L304 HydrophobicContact CG-CD1 4.49Å
305	K	91.4	Very high	85.6	Confident	156 Å²	156	64 Å²	64	68%	0.678	35%	0.349	S	S	*	.			trans	-143.7	138.6	170.7	-64.1	-174.1	180	-176.9	0	108.7	S303	S303-K305 PolarHBondContact O-N 3.46Å
306	W	92.4	Very high	85	Confident	109 Å²	109	65.9 Å²	65.9	41%	0.413	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.6	171.4	172.4	-104.4	0	0	0	110	W264 T265 Q318	W264-W306 AromaticContact CD1-CZ3 3.99Å; W264-W306 AromaticContact CD2-CE3 3.63Å; W264-W306 HydrophobicContact CD2-CE3 3.63Å; W264-W306 HydrophobicContact CD2-CZ3 4.27Å; W264-W306 AromaticContact CE2-CE3 3.51Å; W264-W306 AromaticContact CE2-CZ3 3.81Å; W264-W306 HydrophobicContact CE3-CB 3.95Å; W264-W306 HydrophobicContact CE3-CE3 4.07Å; W264-W306 AromaticContact CG-CE3 3.99Å; W264-W306 HydrophobicContact CG-CE3 3.99Å; W264-W306 HydrophobicContact CG-CZ3 4.38Å; W264-W306 HydrophobicContact CH2-CE3 4.31Å; W264-W306 AromaticContact CZ2-CE3 3.89Å; W264-W306 HydrophobicContact CZ2-CE3 3.89Å; W264-W306 HydrophobicContact CZ2-CZ3 4.25Å; W264-W306 HydrophobicContact CZ3-CB 3.97Å; W264-W306 HydrophobicContact CZ3-CE3 4.39Å; W264-W306 AromaticContact NE1-CE3 3.78Å; W264-W306 AromaticContact NE1-CZ3 3.63Å; T265-W306 VanDerWaalsContact C-CH2 3.43Å; W306-Q318 HydrophobicContact CH2-CG 4.28Å; W306-Q318 HydrophobicContact CZ3-CG 4.19Å
307	E	92.7	Very high	84.9	Confident	61 Å²	61	58.9 Å²	58.9	29%	0.285	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	110.9	170.7	-169.4	-178.3	114.9	0	0	110	F263 W264 T265 R280	F263-E307 HydrophobicContact CE2-CB 4.18Å; F263-E307 WeakPolarHBondContact CE2-OE2 3.4Å; W264-E307 PolarHBondContact O-N 2.94Å; T265-E307 WeakPolarHBondContact CB-O 3.42Å; T265-E307 PolarHBondContact OG1-O 3.43Å; R280-E307 IonicContact CZ-OE1 3.73Å; R280-E307 IonicContact CZ-OE2 2.9Å; R280-E307 IonicContact NE-OE1 3.92Å; R280-E307 PolarHBondContact NE-OE1 3.03Å; R280-E307 IonicContact NE-OE2 3.61Å; R280-E307 PolarHBondContact NE-OE2 3.04Å; R280-E307 VanDerWaalsContact NE-OE2 3.16Å; R280-E307 IonicContact NH2-OE1 2.93Å; R280-E307 PolarHBondContact NH2-OE1 2.88Å; R280-E307 IonicContact NH2-OE2 3.52Å
308	D	82.9	Confident	84.9	Confident	117 Å²	117	59.5 Å²	59.5	63%	0.626	34%	0.337	S	S	*	.			trans	-78.1	126.9	176.8	-172.4	6.5	0	0	0	111.3	G310	D308-G310 PolarHBondContact OD1-N 3Å
309	R	82.1	Confident	85	Confident	68 Å²	68	59 Å²	59	26%	0.257	33%	0.334	S	S	.	.			trans	-100.6	14	176.1	-66.6	178.3	60.1	-133.8	-2.6	112.5	T265 S266 N267 S312	T265-R309 VanDerWaalsContact OG1-CD 3.26Å; T265-R309 WeakPolarHBondContact OG1-CD 3.3Å; T265-R309 WeakPolarHBondContact OG1-CG 3.23Å; S266-R309 PolarHBondContact O-NH1 3.07Å; S266-R309 WeakPolarHBondContact OG-CD 3.36Å; N267-R309 PolarHBondContact O-NH1 3.29Å; R309-S312 PolarHBondContact O-OG 2.9Å
310	G	78.3	Confident	85.1	Confident	23 Å²	23	59 Å²	59	24%	0.237	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	64.1	-154.8	178.5	0	0	0	0	0	112.7	D308 S312 G313	D308-G310 PolarHBondContact OD1-N 3Å; G310-S312 PolarHBondContact O-N 3.1Å; G310-G313 PolarHBondContact O-N 3.36Å
311	P	71.8	Confident	85.1	Confident	117 Å²	117	59 Å²	59	76%	0.76	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-56.9	-28.2	-175.7	-25.7	34.3	0	0	0	114.2	G313 Q314	P311-G313 PolarHBondContact O-N 3.09Å; P311-Q314 PolarHBondContact O-N 3.02Å
312	S	64.5	Low	85.3	Confident	74 Å²	74	57 Å²	57	52%	0.517	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-69.4	-15.1	-179.7	67.5	0	0	0	0	114.9	R309 G310	R309-S312 PolarHBondContact O-OG 2.9Å; G310-S312 PolarHBondContact O-N 3.1Å
313	G	63.4	Low	85.7	Confident	9 Å²	9	54.9 Å²	54.9	9%	0.093	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-105.5	-0.5	178.3	0	0	0	0	0	114.6	S266 G310 P311	S266-G313 WeakPolarHBondContact CB-O 3.48Å; S266-G313 WeakPolarHBondContact OG-CA 3.49Å; G310-G313 PolarHBondContact O-N 3.36Å; P311-G313 PolarHBondContact O-N 3.09Å
314	Q	68.3	Low	86.3	Confident	155 Å²	155	52.3 Å²	52.3	72%	0.724	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	133.1	-177.6	-71	-172.1	-16.1	0	0	111.5	P311 Q316	P311-Q314 PolarHBondContact O-N 3.02Å; Q314-Q316 VanDerWaalsContact C-N 3.32Å; Q314-Q316 PolarHBondContact O-N 3.14Å
315	G	75	Confident	86.7	Confident	43 Å²	43	50.7 Å²	50.7	44%	0.443	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.9	172.2	0	0	0	0	0	116.3	S213 N214	S213-G315 WeakPolarHBondContact CA-O 3.42Å; S213-G315 CarbonylContact O-C 3.48Å; S213-G315 WeakPolarHBondContact O-CA 3.44Å; N214-G315 WeakPolarHBondContact OD1-CA 3.48Å
316	Q	83.3	Confident	87	Confident	90 Å²	90	43.4 Å²	43.4	42%	0.421	24%	0.239	S	C	.	.	S	Bend	trans	-105.2	6.6	179.4	-63.8	-175.1	-4.5	0	0	113.5	S213 N267 Q314	S213-Q316 PolarHBondContact O-N 2.96Å; N267-Q316 VanDerWaalsContact CB-O 3.23Å; N267-Q316 WeakPolarHBondContact CB-O 3.38Å; N267-Q316 PolarHBondContact ND2-O 3.2Å; N267-Q316 PolarHBondContact O-OE1 2.97Å; Q314-Q316 VanDerWaalsContact C-N 3.32Å; Q314-Q316 PolarHBondContact O-N 3.14Å
317	G	93.1	Very high	87.1	Confident	7 Å²	7	41.3 Å²	41.3	7%	0.072	23%	0.233	C	C	.	.			trans	81.3	-177.8	-172.1	0	0	0	0	0	113.9	T211 S213 S266 N267	T211-G317 WeakPolarHBondContact O-CA 3.33Å; S213-G317 WeakPolarHBondContact O-CA 3.29Å; S213-G317 PolarHBondContact O-N 2.99Å; S266-G317 WeakPolarHBondContact CA-O 3.28Å; N267-G317 PolarHBondContact N-O 3.21Å
318	Q	95.6	Very high	87.2	Confident	21 Å²	21	38.6 Å²	38.6	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	150.2	-177.9	-62.3	-171.1	-7	0	0	111.3	V210 T211 L217 W264 W306	V210-Q318 CarbonylContact C-O 3.48Å; V210-Q318 VanDerWaalsContact CA-O 3.23Å; V210-Q318 WeakPolarHBondContact CA-O 3.39Å; T211-Q318 PolarHBondContact N-O 3.38Å; T211-Q318 PolarHBondContact OG1-N 3.24Å; L217-Q318 HydrophobicContact CD1-CB 4.36Å; W264-Q318 VanDerWaalsContact NE1-OE1 3.09Å; W306-Q318 HydrophobicContact CH2-CG 4.28Å; W306-Q318 HydrophobicContact CZ3-CG 4.19Å
319	F	97.3	Very high	87.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119	172.1	168.3	-123.3	0	0	0	109	Y208 V210 F263 W264 T265 L273 M276 V277 I321	Y208-F319 HydrophobicContact CD2-CE2 4.14Å; Y208-F319 AromaticContact CG-CE2 3.88Å; Y208-F319 HydrophobicContact CG-CE2 3.88Å; V210-F319 HydrophobicContact CG2-CB 4.45Å; V210-F319 HydrophobicContact CG2-CD2 3.77Å; F263-F319 HydrophobicContact CD1-CD1 4.2Å; F263-F319 AromaticContact CD1-CE1 3.91Å; F263-F319 HydrophobicContact CD1-CE1 3.91Å; F263-F319 HydrophobicContact CE1-CD1 4.15Å; F263-F319 HydrophobicContact CE1-CE1 4.1Å; W264-F319 WeakPolarHBondContact CA-O 3.49Å; T265-F319 HydrophobicContact CG2-CD1 4.19Å; T265-F319 PolarHBondContact N-O 3.17Å; T265-F319 PolarHBondContact O-N 3.45Å; L273-F319 HydrophobicContact CD2-CD1 4.19Å; L273-F319 HydrophobicContact CD2-CD2 3.77Å; L273-F319 HydrophobicContact CD2-CE1 4.29Å; L273-F319 HydrophobicContact CD2-CE2 3.85Å; L273-F319 HydrophobicContact CD2-CG 3.92Å; L273-F319 HydrophobicContact CD2-CZ 4.12Å; M276-F319 HydrophobicContact CG-CE1 4.37Å; V277-F319 HydrophobicContact CG2-CE1 4.26Å; V277-F319 HydrophobicContact CG2-CZ 3.9Å; F319-I321 HydrophobicContact CE1-CB 4.4Å; F319-I321 HydrophobicContact CE1-CG2 3.88Å; F319-I321 HydrophobicContact CE2-CB 3.93Å; F319-I321 HydrophobicContact CE2-CD1 4.45Å; F319-I321 HydrophobicContact CE2-CG2 4.31Å; F319-I321 HydrophobicContact CZ-CB 3.7Å; F319-I321 HydrophobicContact CZ-CD1 3.98Å; F319-I321 HydrophobicContact CZ-CG1 4.46Å; F319-I321 HydrophobicContact CZ-CG2 3.62Å
320	L	97.9	Very high	88.6	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.5	174.8	-168.4	164	0	0	0	109	Y208 V209 L217 L227 I230 V262 F263 W264 Q322	Y208-L320 CarbonylContact C-O 3.46Å; Y208-L320 WeakPolarHBondContact CA-O 3.36Å; Y208-L320 WeakPolarHBondContact CB-O 3.31Å; V209-L320 HydrophobicContact CG1-CB 4.07Å; V209-L320 PolarHBondContact N-O 2.82Å; V209-L320 PolarHBondContact O-N 2.9Å; L217-L320 HydrophobicContact CD1-CB 3.84Å; L217-L320 HydrophobicContact CD1-CD1 4.48Å; L227-L320 HydrophobicContact CD2-CD2 4.04Å; I230-L320 HydrophobicContact CD1-CD1 3.83Å; I230-L320 HydrophobicContact CD1-CD2 3.53Å; I230-L320 HydrophobicContact CD1-CG 4.22Å; I230-L320 HydrophobicContact CG1-CD1 4.1Å; I230-L320 HydrophobicContact CG1-CD2 4.49Å; V262-L320 HydrophobicContact CG2-CD2 4.05Å; F263-L320 WeakPolarHBondContact O-CA 3.36Å; W264-L320 HydrophobicContact CB-CD1 4.42Å; W264-L320 HydrophobicContact CB-CG 4.14Å; W264-L320 HydrophobicContact CD2-CD1 4.48Å; W264-L320 HydrophobicContact CG-CB 4.35Å; W264-L320 HydrophobicContact CG-CD1 4.05Å; W264-L320 HydrophobicContact CG-CG 4.15Å; L320-Q322 HydrophobicContact CD2-CG 3.8Å
321	I	98.4	Very high	89.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.2	179.5	-173.8	167.3	0	0	0	111.4	M120 F206 F207 Y208 V262 F263 V277 L300 F319	M120-I321 HydrophobicContact CE-CD1 4.34Å; M120-I321 HydrophobicContact SD-CD1 4.15Å; F206-I321 HydrophobicContact CB-CD1 3.68Å; F206-I321 HydrophobicContact CB-CG1 3.89Å; F206-I321 HydrophobicContact CD1-CD1 4.19Å; F206-I321 HydrophobicContact CD1-CG1 4.44Å; F206-I321 HydrophobicContact CG-CD1 4.31Å; F207-I321 WeakPolarHBondContact O-CA 3.48Å; Y208-I321 HydrophobicContact CD1-CD1 4.39Å; V262-I321 WeakPolarHBondContact CA-O 3.33Å; V262-I321 WeakPolarHBondContact CG2-O 3.36Å; F263-I321 HydrophobicContact CB-CG2 3.75Å; F263-I321 HydrophobicContact CD1-CG2 4.11Å; F263-I321 HydrophobicContact CG-CG2 4.45Å; F263-I321 PolarHBondContact N-O 3.31Å; F263-I321 PolarHBondContact O-N 2.84Å; V277-I321 HydrophobicContact CG2-CD1 3.62Å; L300-I321 HydrophobicContact CD1-CG2 3.8Å; F319-I321 HydrophobicContact CE1-CB 4.4Å; F319-I321 HydrophobicContact CE1-CG2 3.88Å; F319-I321 HydrophobicContact CE2-CB 3.93Å; F319-I321 HydrophobicContact CE2-CD1 4.45Å; F319-I321 HydrophobicContact CE2-CG2 4.31Å; F319-I321 HydrophobicContact CZ-CB 3.7Å; F319-I321 HydrophobicContact CZ-CD1 3.98Å; F319-I321 HydrophobicContact CZ-CG1 4.46Å; F319-I321 HydrophobicContact CZ-CG2 3.62Å
322	Q	98	Very high	90.8	Very high	13 Å²	13	26 Å²	26	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.2	179.8	-61.6	177.8	83.1	0	0	109.3	F206 F207 L227 L244 V262 L320	F206-Q322 CarbonylContact C-O 3.53Å; F206-Q322 VanDerWaalsContact CA-O 3.24Å; F206-Q322 WeakPolarHBondContact CA-O 3.11Å; F207-Q322 PolarHBondContact N-O 3.47Å; F207-Q322 PolarHBondContact O-N 2.7Å; L227-Q322 HydrophobicContact CD2-CG 3.77Å; L244-Q322 HydrophobicContact CD2-CB 3.99Å; V262-Q322 HydrophobicContact CG2-CG 4.39Å; L320-Q322 HydrophobicContact CD2-CG 3.8Å
323	Q	98.3	Very high	92.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.7	175.2	178	-177.4	6.7	0	0	109.8	S204 L205 F206 Y260 N261 L298 G299 L300 T325	S204-Q323 PolarHBondContact OG-NE2 2.99Å; S204-Q323 VanDerWaalsContact OG-NE2 3.08Å; L205-Q323 CarbonylContact O-C 3.59Å; L205-Q323 WeakPolarHBondContact O-CA 3.45Å; F206-Q323 HydrophobicContact CD1-CB 3.65Å; F206-Q323 HydrophobicContact CD1-CG 3.83Å; F206-Q323 HydrophobicContact CE1-CB 3.71Å; F206-Q323 HydrophobicContact CE1-CG 3.46Å; F206-Q323 VanDerWaalsContact CE1-CG 3.46Å; F206-Q323 HydrophobicContact CZ-CG 3.91Å; Y260-Q323 WeakPolarHBondContact CA-O 3.32Å; N261-Q323 HydrophobicContact CB-CB 4.09Å; N261-Q323 PolarHBondContact N-O 3.09Å; N261-Q323 PolarHBondContact O-N 3.2Å; L298-Q323 PolarHBondContact O-NE2 3.35Å; G299-Q323 VanDerWaalsContact CA-OE1 3.28Å; L300-Q323 HydrophobicContact CD1-CB 4.16Å; Q323-T325 PolarHBondContact NE2-OG1 3.42Å
324	V	98	Very high	94.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.5	169.8	65.6	0	0	0	0	109.3	S204 L205 F207 P247 S259 Y260 L326 I332	S204-V324 CarbonylContact C-O 3.46Å; S204-V324 VanDerWaalsContact CA-O 3.26Å; S204-V324 WeakPolarHBondContact CA-O 3.27Å; L205-V324 HydrophobicContact CB-CG1 3.86Å; L205-V324 PolarHBondContact N-O 2.92Å; L205-V324 PolarHBondContact O-N 3.48Å; F207-V324 HydrophobicContact CE2-CG1 4.33Å; P247-V324 HydrophobicContact CG-CG2 4.41Å; S259-V324 CarbonylContact O-C 3.53Å; S259-V324 WeakPolarHBondContact O-CA 3.45Å; Y260-V324 HydrophobicContact CD1-CB 4.31Å; Y260-V324 HydrophobicContact CD1-CG2 4.15Å; Y260-V324 HydrophobicContact CE1-CB 4.26Å; Y260-V324 HydrophobicContact CE1-CG2 3.76Å; V324-L326 HydrophobicContact CG2-CD1 3.81Å; V324-L326 HydrophobicContact CG2-CG 4.32Å; V324-I332 HydrophobicContact CB-CD1 4.21Å; V324-I332 HydrophobicContact CG1-CD1 3.64Å; V324-I332 HydrophobicContact CG2-CD1 4.2Å
325	T	98.2	Very high	95.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.3	-175.8	-54.1	0	0	0	0	111.9	Q124 L202 V203 S204 S259 H287 Y297 Q323	Q124-T325 HydrophobicContact CG-CG2 4.43Å; L202-T325 HydrophobicContact CD1-CG2 3.74Å; L202-T325 HydrophobicContact CD2-CG2 4.28Å; L202-T325 HydrophobicContact CG-CG2 3.89Å; V203-T325 VanDerWaalsContact O-CA 3.3Å; V203-T325 WeakPolarHBondContact O-CA 3.21Å; S204-T325 WeakPolarHBondContact OG-CG2 3.29Å; S204-T325 PolarHBondContact OG-OG1 3.41Å; S259-T325 PolarHBondContact N-O 3.3Å; S259-T325 VanDerWaalsContact N-O 3.07Å; S259-T325 PolarHBondContact O-N 3.21Å; H287-T325 PolarHBondContact CE1-O 2.88Å; H287-T325 PolarHBondContact ND1-O 2.93Å; Y297-T325 HydrophobicContact CD1-CG2 4.27Å; Y297-T325 HydrophobicContact CD2-CG2 4.01Å; Y297-T325 HydrophobicContact CE2-CG2 4.49Å; Y297-T325 HydrophobicContact CG-CG2 3.91Å; Q323-T325 PolarHBondContact NE2-OG1 3.42Å
326	L	97.3	Very high	96.7	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	166.3	178.7	-19.3	83.1	0	0	0	113.3	L202 V203 P247 Y257 G258 V324 F330	L202-L326 VanDerWaalsContact CD1-C 3.46Å; V203-L326 PolarHBondContact N-O 3.4Å; V203-L326 PolarHBondContact O-N 2.97Å; P247-L326 HydrophobicContact CB-CD1 4.32Å; P247-L326 HydrophobicContact CB-CD2 3.81Å; P247-L326 HydrophobicContact CG-CD1 4.17Å; P247-L326 HydrophobicContact CG-CD2 3.17Å; P247-L326 HydrophobicContact CG-CG 4.22Å; Y257-L326 VanDerWaalsContact O-CD2 3.26Å; Y257-L326 WeakPolarHBondContact O-CD2 3.48Å; G258-L326 VanDerWaalsContact CA-CD2 3.44Å; V324-L326 HydrophobicContact CG2-CD1 3.81Å; V324-L326 HydrophobicContact CG2-CG 4.32Å; L326-F330 HydrophobicContact CB-CD1 4.27Å; L326-F330 HydrophobicContact CB-CE1 4.41Å; L326-F330 HydrophobicContact CD1-CD1 3.96Å; L326-F330 HydrophobicContact CD1-CD2 3.82Å; L326-F330 HydrophobicContact CD1-CE1 3.85Å; L326-F330 HydrophobicContact CD1-CE2 3.7Å; L326-F330 HydrophobicContact CD1-CG 3.95Å; L326-F330 HydrophobicContact CD1-CZ 3.73Å
327	K	95.3	Very high	97.4	Very high	66 Å²	66	10.4 Å²	10.4	29%	0.287	6%	0.055	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.5	169.4	-88	-174.9	154.7	150.8	0	112.4	I200 P201 L202 E295 F330	I200-K327 HydrophobicContact CB-CD 4.47Å; I200-K327 HydrophobicContact CG2-CB 3.85Å; I200-K327 HydrophobicContact CG2-CD 4.09Å; I200-K327 HydrophobicContact CG2-CG 4.03Å; I200-K327 WeakPolarHBondContact O-CE 3.32Å; P201-K327 WeakPolarHBondContact O-CA 3.22Å; L202-K327 HydrophobicContact CD1-CG 4.38Å; E295-K327 VanDerWaalsContact OE1-CD 3.29Å; E295-K327 WeakPolarHBondContact OE1-CD 3.31Å; E295-K327 WeakPolarHBondContact OE1-CE 3.34Å; E295-K327 IonicContact OE1-NZ 2.67Å; E295-K327 PolarHBondContact OE1-NZ 3.34Å; E295-K327 WeakPolarHBondContact OE2-CE 3.43Å; E295-K327 IonicContact OE2-NZ 3.01Å; E295-K327 PolarHBondContact OE2-NZ 3.42Å; K327-F330 WeakPolarHBondContact O-CD1 3.39Å
328	V	94.8	Very high	97.6	Very high	4 Å²	4	10 Å²	10	2%	0.024	5%	0.052	C	C	.	.	S	Bend	trans	-67	157.1	172.7	-56.3	0	0	0	0	111.2	L166 V190 P192 I200 P201 V203 F330	L166-V328 HydrophobicContact CD2-CG1 4.21Å; V190-V328 HydrophobicContact CB-CG1 4.14Å; V190-V328 HydrophobicContact CG1-CG1 3.54Å; P192-V328 HydrophobicContact CB-CG2 4.07Å; P192-V328 HydrophobicContact CG-CG2 4.28Å; I200-V328 HydrophobicContact CG2-CG2 3.81Å; I200-V328 WeakPolarHBondContact CG2-O 3.24Å; P201-V328 HydrophobicContact CB-CG2 4.33Å; P201-V328 HydrophobicContact CG-CG2 4.28Å; P201-V328 PolarHBondContact O-N 3.21Å; P201-V328 VanDerWaalsContact O-N 3.16Å; V203-V328 HydrophobicContact CB-CG1 4.36Å; V203-V328 HydrophobicContact CG2-CG1 3.69Å; V328-F330 HydrophobicContact CG1-CD1 4.33Å; V328-F330 HydrophobicContact CG1-CE1 4Å
329	P	96.2	Very high	97.5	Very high	53 Å²	53	10.5 Å²	10.5	34%	0.344	6%	0.062	S	C	.	.	S	Bend	cis	-78.7	149.1	-8.7	34	-35.2	0	0	0	112.5	V190 E191 P250 K256	V190-P329 VanDerWaalsContact O-CA 3.23Å; V190-P329 WeakPolarHBondContact O-CA 3.5Å; E191-P329 HydrophobicContact CG-CB 4.49Å; P250-P329 HydrophobicContact CG-CB 3.95Å; K256-P329 PolarHBondContact NZ-O 2.88Å
330	F	98.1	Very high	97.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	159.5	171.2	63.7	-93.9	0	0	0	111.7	T189 V190 V203 L205 P247 T248 K256 L326 K327 V328	T189-F330 WeakPolarHBondContact CA-O 3.44Å; V190-F330 HydrophobicContact CB-CE1 4.15Å; V190-F330 HydrophobicContact CB-CE2 4.35Å; V190-F330 HydrophobicContact CB-CZ 4.01Å; V190-F330 HydrophobicContact CG2-CE1 4.41Å; V190-F330 HydrophobicContact CG2-CE2 3.9Å; V190-F330 HydrophobicContact CG2-CZ 3.77Å; V190-F330 PolarHBondContact N-O 2.82Å; V190-F330 PolarHBondContact O-N 2.99Å; V190-F330 VanDerWaalsContact O-N 3.08Å; V203-F330 HydrophobicContact CB-CE1 4.29Å; V203-F330 HydrophobicContact CB-CZ 4.39Å; V203-F330 HydrophobicContact CG1-CZ 4.5Å; L205-F330 HydrophobicContact CD1-CE2 3.64Å; L205-F330 HydrophobicContact CD1-CZ 4.14Å; L205-F330 HydrophobicContact CG-CE2 4.08Å; L205-F330 HydrophobicContact CG-CZ 4.11Å; P247-F330 HydrophobicContact CB-CD2 4.47Å; T248-F330 CarbonylContact O-C 3.59Å; T248-F330 WeakPolarHBondContact O-CA 3.44Å; T248-F330 WeakPolarHBondContact O-CB 3.32Å; K256-F330 HydrophobicContact CD-CB 4.48Å; L326-F330 HydrophobicContact CB-CD1 4.27Å; L326-F330 HydrophobicContact CB-CE1 4.41Å; L326-F330 HydrophobicContact CD1-CD1 3.96Å; L326-F330 HydrophobicContact CD1-CD2 3.82Å; L326-F330 HydrophobicContact CD1-CE1 3.85Å; L326-F330 HydrophobicContact CD1-CE2 3.7Å; L326-F330 HydrophobicContact CD1-CG 3.95Å; L326-F330 HydrophobicContact CD1-CZ 3.73Å; K327-F330 WeakPolarHBondContact O-CD1 3.39Å; V328-F330 HydrophobicContact CG1-CD1 4.33Å; V328-F330 HydrophobicContact CG1-CE1 4Å
331	S	98.6	Very high	97	Very high	5 Å²	5	11.3 Å²	11.3	4%	0.035	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.4	168.3	-63.5	0	0	0	0	109.9	V188 T189 P247 T248 P250	V188-S331 CarbonylContact O-C 3.57Å; V188-S331 WeakPolarHBondContact O-CA 3.41Å; T189-S331 WeakPolarHBondContact CG2-OG 3.47Å; T189-S331 PolarHBondContact OG1-OG 3.03Å; P247-S331 CarbonylContact C-O 3.55Å; P247-S331 WeakPolarHBondContact CA-O 3.44Å; P247-S331 WeakPolarHBondContact CB-O 3.37Å; T248-S331 PolarHBondContact N-O 3.21Å; T248-S331 PolarHBondContact O-N 3.4Å; P250-S331 WeakPolarHBondContact CA-OG 3.41Å
332	I	98.5	Very high	96.3	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.6	173.1	-166.6	167.3	0	0	0	110.7	R187 V188 L205 F207 L244 L245 P247 V324	R187-I332 WeakPolarHBondContact CA-O 3.43Å; V188-I332 HydrophobicContact CB-CG2 4.15Å; V188-I332 PolarHBondContact N-O 2.85Å; V188-I332 PolarHBondContact O-N 3.29Å; L205-I332 HydrophobicContact CD1-CG2 3.69Å; F207-I332 HydrophobicContact CE2-CD1 4.29Å; F207-I332 HydrophobicContact CE2-CG2 3.78Å; F207-I332 HydrophobicContact CZ-CG2 3.47Å; F207-I332 VanDerWaalsContact CZ-CG2 3.47Å; L244-I332 HydrophobicContact CD1-CD1 3.6Å; L244-I332 HydrophobicContact CD1-CG1 3.88Å; L244-I332 HydrophobicContact CD2-CD1 4.19Å; L244-I332 HydrophobicContact CG-CD1 3.87Å; L244-I332 HydrophobicContact CG-CG1 4.47Å; L245-I332 WeakPolarHBondContact O-CG1 3.17Å; P247-I332 HydrophobicContact CB-CB 4.35Å; P247-I332 HydrophobicContact CB-CG1 4.49Å; V324-I332 HydrophobicContact CB-CD1 4.21Å; V324-I332 HydrophobicContact CG1-CD1 3.64Å; V324-I332 HydrophobicContact CG2-CD1 4.2Å
333	E	98.8	Very high	95.2	Very high	20 Å²	20	17 Å²	17	9%	0.093	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.1	-176.8	-66.2	175.9	178.2	0	0	111.5	W186 R187 L245 A353 G354 L357	W186-E333 WeakPolarHBondContact O-CA 3.22Å; R187-E333 HydrophobicContact CB-CG 4.31Å; R187-E333 HydrophobicContact CG-CG 4.3Å; R187-E333 IonicContact CZ-OE1 3.43Å; R187-E333 VanDerWaalsContact CZ-OE1 3.26Å; R187-E333 IonicContact NE-OE1 3.81Å; R187-E333 PolarHBondContact NE-OE1 2.86Å; R187-E333 IonicContact NH2-OE1 2.68Å; R187-E333 PolarHBondContact NH2-OE1 3.39Å; L245-E333 HydrophobicContact CB-CB 4.32Å; L245-E333 HydrophobicContact CD1-CB 4.02Å; L245-E333 PolarHBondContact N-O 3.35Å; E333-A353 WeakPolarHBondContact OE2-CA 3.44Å; E333-A353 VanDerWaalsContact OE2-CB 3.27Å; E333-A353 WeakPolarHBondContact OE2-CB 3.47Å; E333-G354 PolarHBondContact OE1-N 2.89Å; E333-G354 PolarHBondContact OE2-N 3.13Å; E333-L357 HydrophobicContact CG-CD2 4.16Å
334	F	98.8	Very high	93.4	Very high	1 Å²	1	20 Å²	20	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.7	176.2	-172.7	-127.4	0	0	0	109	T117 W184 W186 F207 F242 L244	T117-F334 HydrophobicContact CG2-CE1 4.27Å; W184-F334 AromaticContact CH2-CD1 3.88Å; W184-F334 HydrophobicContact CH2-CD1 3.88Å; W184-F334 AromaticContact CH2-CE1 3.88Å; W184-F334 HydrophobicContact CH2-CE1 3.88Å; W184-F334 AromaticContact CZ3-CD1 3.95Å; W184-F334 HydrophobicContact CZ3-CD1 3.95Å; W184-F334 HydrophobicContact CZ3-CE1 4.4Å; W186-F334 HydrophobicContact CB-CB 4.3Å; W186-F334 HydrophobicContact CD2-CD1 4.21Å; W186-F334 HydrophobicContact CE3-CB 4.24Å; W186-F334 AromaticContact CE3-CD1 3.66Å; W186-F334 HydrophobicContact CE3-CD1 3.66Å; W186-F334 HydrophobicContact CE3-CG 4.42Å; W186-F334 AromaticContact CZ3-CD1 3.85Å; W186-F334 HydrophobicContact CZ3-CD1 3.85Å; W186-F334 HydrophobicContact CZ3-CE1 4.37Å; W186-F334 PolarHBondContact N-O 3.4Å; W186-F334 PolarHBondContact O-N 3.35Å; W186-F334 VanDerWaalsContact O-N 3.08Å; F207-F334 HydrophobicContact CB-CD2 4.46Å; F207-F334 HydrophobicContact CB-CG 4.49Å; F207-F334 HydrophobicContact CD1-CB 3.72Å; F207-F334 HydrophobicContact CD1-CD1 4.04Å; F207-F334 HydrophobicContact CD1-CD2 4.49Å; F207-F334 AromaticContact CD1-CG 3.85Å; F207-F334 HydrophobicContact CD1-CG 3.85Å; F207-F334 HydrophobicContact CE1-CB 3.94Å; F207-F334 HydrophobicContact CG-CG 4.42Å; F242-F334 HydrophobicContact CB-CE2 3.96Å; F242-F334 HydrophobicContact CB-CZ 3.94Å; F242-F334 AromaticContact CD1-CE1 3.92Å; F242-F334 HydrophobicContact CD1-CE1 3.92Å; F242-F334 HydrophobicContact CD1-CE2 4.25Å; F242-F334 AromaticContact CD1-CZ 3.57Å; F242-F334 HydrophobicContact CD1-CZ 3.57Å; F242-F334 HydrophobicContact CE1-CE1 4.33Å; F242-F334 HydrophobicContact CE1-CZ 4.33Å; F242-F334 HydrophobicContact CG-CE2 4.45Å; F242-F334 AromaticContact CG-CZ 3.95Å; F242-F334 HydrophobicContact CG-CZ 3.95Å; L244-F334 HydrophobicContact CB-CD2 4.11Å; L244-F334 HydrophobicContact CD1-CB 4.17Å; L244-F334 HydrophobicContact CD1-CD2 4.03Å; L244-F334 HydrophobicContact CD1-CG 4.48Å
335	V	98.7	Very high	91.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.4	-165.6	-176.7	0	0	0	0	110.3	F242 T243 L245 E337 R351 A353	F242-V335 CarbonylContact C-O 3.43Å; F242-V335 VanDerWaalsContact CA-O 3.32Å; F242-V335 WeakPolarHBondContact CA-O 3.45Å; T243-V335 PolarHBondContact N-O 3.44Å; T243-V335 PolarHBondContact O-N 3.43Å; L245-V335 HydrophobicContact CD1-CG2 4.14Å; V335-E337 HydrophobicContact CG1-CG 3.96Å; V335-R351 HydrophobicContact CG1-CG 4.08Å; V335-A353 HydrophobicContact CG2-CB 4.45Å
336	F	98.5	Very high	89.4	Confident	1 Å²	1	30.9 Å²	30.9	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.4	170.4	173.8	-97.9	0	0	0	110.4	W96 L115 G182 W184 L237 F240 R241 F242	W96-F336 HydrophobicContact CZ2-CE1 4.27Å; W96-F336 HydrophobicContact CZ2-CE2 4.09Å; W96-F336 AromaticContact CZ2-CZ 3.92Å; W96-F336 HydrophobicContact CZ2-CZ 3.92Å; W96-F336 AromaticContact NE1-CE1 3.74Å; L115-F336 HydrophobicContact CD2-CE2 4.36Å; G182-F336 WeakPolarHBondContact O-CE1 3.35Å; W184-F336 AromaticContact CD1-CD1 3.56Å; W184-F336 AromaticContact CD1-CG 3.99Å; W184-F336 HydrophobicContact CD2-CB 3.51Å; W184-F336 HydrophobicContact CD2-CG 4.28Å; W184-F336 AromaticContact CE2-CG 3.76Å; W184-F336 HydrophobicContact CE3-CB 3.93Å; W184-F336 HydrophobicContact CG-CB 3.97Å; W184-F336 HydrophobicContact CG-CD1 4.22Å; W184-F336 HydrophobicContact CG-CG 4.44Å; W184-F336 HydrophobicContact CH2-CB 4.05Å; W184-F336 HydrophobicContact CZ2-CB 3.67Å; W184-F336 HydrophobicContact CZ2-CG 4.19Å; W184-F336 HydrophobicContact CZ3-CB 4.16Å; W184-F336 PolarHBondContact N-O 3.41Å; W184-F336 AromaticContact NE1-CD1 3.5Å; W184-F336 AromaticContact NE1-CG 3.55Å; W184-F336 PolarHBondContact O-N 3.27Å; L237-F336 HydrophobicContact CD2-CZ 4.15Å; F240-F336 HydrophobicContact CB-CD2 4.36Å; F240-F336 HydrophobicContact CB-CE2 3.44Å; F240-F336 VanDerWaalsContact CB-CE2 3.44Å; F240-F336 HydrophobicContact CB-CZ 3.74Å; F240-F336 HydrophobicContact CD2-CD2 4.44Å; F240-F336 AromaticContact CD2-CE2 3.83Å; F240-F336 HydrophobicContact CD2-CE2 3.83Å; F240-F336 AromaticContact CG-CE2 3.72Å; F240-F336 HydrophobicContact CG-CE2 3.72Å; F240-F336 HydrophobicContact CG-CZ 4.32Å; R241-F336 WeakPolarHBondContact O-CA 3.19Å; F242-F336 HydrophobicContact CD1-CB 4.1Å; F242-F336 AromaticContact CD1-CD2 3.93Å; F242-F336 HydrophobicContact CD1-CD2 3.93Å; F242-F336 HydrophobicContact CE1-CB 3.9Å; F242-F336 AromaticContact CE1-CD2 3.37Å; F242-F336 HydrophobicContact CE1-CD2 3.37Å; F242-F336 HydrophobicContact CE1-CE2 4.28Å; F242-F336 HydrophobicContact CE1-CG 4.04Å; F242-F336 HydrophobicContact CE2-CD2 4.19Å; F242-F336 HydrophobicContact CE2-CE2 4.47Å; F242-F336 AromaticContact CZ-CD2 3.52Å; F242-F336 HydrophobicContact CZ-CD2 3.52Å; F242-F336 AromaticContact CZ-CE2 3.99Å; F242-F336 HydrophobicContact CZ-CE2 3.99Å
337	E	97.8	Very high	87.5	Confident	20 Å²	20	39 Å²	39	9%	0.093	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.5	-179.8	-61.1	169.6	128.6	0	0	108.8	D183 F240 R241 V335 R351	D183-E337 WeakPolarHBondContact OD1-CA 3.44Å; F240-E337 CarbonylContact C-O 3.58Å; F240-E337 WeakPolarHBondContact CA-O 3.45Å; R241-E337 PolarHBondContact N-O 2.93Å; R241-E337 PolarHBondContact O-N 2.91Å; V335-E337 HydrophobicContact CG1-CG 3.96Å; E337-R351 IonicContact OE1-CZ 3.64Å; E337-R351 IonicContact OE1-NE 2.67Å; E337-R351 PolarHBondContact OE1-NE 3.19Å; E337-R351 IonicContact OE1-NH2 2.71Å; E337-R351 IonicContact OE2-CZ 2.68Å; E337-R351 IonicContact OE2-NE 2.99Å; E337-R351 IonicContact OE2-NH2 3.26Å; E337-R351 PolarHBondContact OE2-NH2 3.28Å
338	S	96.8	Very high	86.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130	173.6	176.9	0	0	0	0	110.5	D183 S340 A341 Q342	D183-S338 PolarHBondContact OD1-N 3.09Å; S338-S340 VanDerWaalsContact C-N 3.27Å; S338-S340 PolarHBondContact O-N 3.05Å; S338-S340 PolarHBondContact OG-OG 3.32Å; S338-S340 VanDerWaalsContact OG-OG 3.08Å; S338-A341 PolarHBondContact O-N 3.06Å; S338-A341 VanDerWaalsContact O-N 3.14Å; S338-Q342 WeakPolarHBondContact O-CG 3.29Å; S338-Q342 PolarHBondContact O-N 3.3Å
339	G	94.4	Very high	85.7	Confident	30 Å²	30	44.7 Å²	44.7	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-39.4	177.6	0	0	0	0	0	112.6	D239 A341 Q342 A343	D239-G339 WeakPolarHBondContact O-CA 3.34Å; D239-G339 PolarHBondContact O-N 3.3Å; G339-A341 PolarHBondContact O-N 2.88Å; G339-Q342 PolarHBondContact O-N 3.39Å; G339-A343 PolarHBondContact O-N 2.88Å; G339-A343 VanDerWaalsContact O-N 3.11Å
340	S	93.4	Very high	85.4	Confident	13 Å²	13	46.1 Å²	46.1	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-69.2	-30.4	178.1	67.8	0	0	0	0	113.9	G178 Q179 H180 S338 G344	G178-S340 WeakPolarHBondContact CA-OG 3.31Å; Q179-S340 PolarHBondContact N-OG 3.07Å; H180-S340 VanDerWaalsContact ND1-CB 3.25Å; H180-S340 WeakPolarHBondContact ND1-CB 3.37Å; H180-S340 PolarHBondContact ND1-OG 3.22Å; S338-S340 VanDerWaalsContact C-N 3.27Å; S338-S340 PolarHBondContact O-N 3.05Å; S338-S340 PolarHBondContact OG-OG 3.32Å; S338-S340 VanDerWaalsContact OG-OG 3.08Å; S340-G344 PolarHBondContact O-N 3.23Å
341	A	89.9	Confident	85.2	Confident	6 Å²	6	50.2 Å²	50.2	5%	0.05	31%	0.309	C	S	.	.	H	α-helix	trans	-71.6	-37	175.8	0	0	0	0	0	110.9	S338 G339 A343 L349	S338-A341 PolarHBondContact O-N 3.06Å; S338-A341 VanDerWaalsContact O-N 3.14Å; G339-A341 PolarHBondContact O-N 2.88Å; A341-A343 VanDerWaalsContact C-N 3.34Å; A341-L349 WeakPolarHBondContact O-CD1 3.47Å
342	Q	83.4	Confident	85.1	Confident	48 Å²	48	50.4 Å²	50.4	22%	0.224	31%	0.31	C	S	.	.	H	α-helix	trans	-71.5	-27.1	177.1	-62.2	-58.6	-40.4	0	0	113.3	D183 S338 G339 L349	D183-Q342 PolarHBondContact OD2-NE2 3.28Å; S338-Q342 WeakPolarHBondContact O-CG 3.29Å; S338-Q342 PolarHBondContact O-N 3.3Å; G339-Q342 PolarHBondContact O-N 3.39Å; Q342-L349 PolarHBondContact OE1-O 2.85Å
343	A	76.1	Confident	85	Confident	83 Å²	83	51.2 Å²	51.2	69%	0.686	32%	0.316	S	S	*	.	H	α-helix	trans	-87.8	-13.4	-179.4	0	0	0	0	0	114.6	G339 A341 G345	G339-A343 PolarHBondContact O-N 2.88Å; G339-A343 VanDerWaalsContact O-N 3.11Å; A341-A343 VanDerWaalsContact C-N 3.34Å; A343-G345 PolarHBondContact O-N 3.15Å
344	G	60.8	Low	85	Confident	64 Å²	64	51.4 Å²	51.4	66%	0.66	32%	0.324	S	S	*	.	S	Bend	trans	-82.3	4.4	-166.4	0	0	0	0	0	117.4	S340	S340-G344 PolarHBondContact O-N 3.23Å
345	G	60.4	Low	84.8	Confident	48 Å²	48	54.9 Å²	54.9	50%	0.495	35%	0.348	S	S	.	.	S	Bend	trans	-142.9	162.1	-177.1	0	0	0	0	0	114.4	A343 Q347	A343-G345 PolarHBondContact O-N 3.15Å; G345-Q347 PolarHBondContact O-N 2.79Å
346	N	52.1	Low	84.8	Confident	182 Å²	182	58 Å²	58	97%	0.973	37%	0.365	S	S	*	.	S	Bend	trans	-68.8	-6.4	176.5	-71.7	-12.6	0	0	0	113.5
347	Q	57.3	Low	84.7	Confident	173 Å²	173	58 Å²	58	81%	0.808	37%	0.365	S	S	*	.	S	Bend	trans	-135.9	138.3	177.1	-67.7	-178.3	-3.3	0	0	109.8	G345 L349	G345-Q347 PolarHBondContact O-N 2.79Å; Q347-L349 PolarHBondContact O-N 3.41Å
348	V	69.1	Low	84.8	Confident	122 Å²	122	59 Å²	59	74%	0.739	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-63.3	125.2	175.7	179.6	0	0	0	0	109
349	L	81.7	Confident	84.8	Confident	66 Å²	66	64.9 Å²	64.9	35%	0.346	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-63.4	131.2	178.4	-73.6	171.5	0	0	0	109.9	A341 Q342 Q347 R351	A341-L349 WeakPolarHBondContact O-CD1 3.47Å; Q342-L349 PolarHBondContact OE1-O 2.85Å; Q347-L349 PolarHBondContact O-N 3.41Å; L349-R351 PolarHBondContact O-N 3.33Å
350	P	90.7	Very high	85	Confident	83 Å²	83	64.4 Å²	64.4	54%	0.539	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-62.5	143.3	175.8	26.5	-33.5	0	0	0	109.7	R175 L352 L356	R175-P350 PolarHBondContact NH1-O 2.68Å; R175-P350 PolarHBondContact NH2-O 3.45Å; R175-P350 VanDerWaalsContact NH2-O 3.12Å; P350-L352 PolarHBondContact O-N 2.65Å; P350-L356 HydrophobicContact CB-CD2 4.08Å; P350-L356 HydrophobicContact CG-CD2 3.91Å
351	R	94	Very high	85.3	Confident	87 Å²	87	63.9 Å²	63.9	33%	0.328	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-60.9	130.2	175.8	-179.7	175.6	-74.3	-176.3	-14.4	110.2	T243 V335 E337 L349 A353	T243-R351 PolarHBondContact OG1-NH2 3.16Å; V335-R351 HydrophobicContact CG1-CG 4.08Å; E337-R351 IonicContact OE1-CZ 3.64Å; E337-R351 IonicContact OE1-NE 2.67Å; E337-R351 PolarHBondContact OE1-NE 3.19Å; E337-R351 IonicContact OE1-NH2 2.71Å; E337-R351 IonicContact OE2-CZ 2.68Å; E337-R351 IonicContact OE2-NE 2.99Å; E337-R351 IonicContact OE2-NH2 3.26Å; E337-R351 PolarHBondContact OE2-NH2 3.28Å; L349-R351 PolarHBondContact O-N 3.33Å; R351-A353 HydrophobicContact CG-CB 3.88Å; R351-A353 PolarHBondContact O-N 2.94Å
352	L	96.4	Very high	85.7	Confident	9 Å²	9	68.5 Å²	68.5	5%	0.047	41%	0.409	C	S	.	.	S	Bend	trans	-74.9	73.9	177.4	-174.6	64.2	0	0	0	110.6	V173 R175 S185 P350 L356 L357 A360	V173-L352 HydrophobicContact CB-CD2 4.1Å; V173-L352 HydrophobicContact CG1-CD2 3.93Å; R175-L352 HydrophobicContact CB-CD2 4.18Å; S185-L352 WeakPolarHBondContact CB-O 3.33Å; S185-L352 PolarHBondContact OG-O 2.86Å; P350-L352 PolarHBondContact O-N 2.65Å; L352-L356 HydrophobicContact CD1-CD2 4.38Å; L352-L356 HydrophobicContact CD1-CG 4.08Å; L352-L357 HydrophobicContact CG-CD1 4.2Å; L352-A360 HydrophobicContact CD1-CB 4.13Å
353	A	97.2	Very high	86.4	Confident	17 Å²	17	69.8 Å²	69.8	14%	0.14	42%	0.423	C	S	.	.			trans	-144.3	166.6	-175.1	0	0	0	0	0	111.1	L245 E333 V335 R351 S355 L356 L357	L245-A353 HydrophobicContact CD1-CB 3.56Å; E333-A353 WeakPolarHBondContact OE2-CA 3.44Å; E333-A353 VanDerWaalsContact OE2-CB 3.27Å; E333-A353 WeakPolarHBondContact OE2-CB 3.47Å; V335-A353 HydrophobicContact CG2-CB 4.45Å; R351-A353 HydrophobicContact CG-CB 3.88Å; R351-A353 PolarHBondContact O-N 2.94Å; A353-S355 PolarHBondContact O-N 2.99Å; A353-L356 PolarHBondContact O-N 3.28Å; A353-L357 PolarHBondContact O-N 3.43Å
354	G	96.8	Very high	87.5	Confident	24 Å²	24	68.3 Å²	68.3	25%	0.247	40%	0.402	C	S	.	.	H	α-helix	trans	54.2	-128.1	174.8	0	0	0	0	0	113.1	R187 E333 L356 L357 T358	R187-G354 PolarHBondContact NH2-O 3.03Å; E333-G354 PolarHBondContact OE1-N 2.89Å; E333-G354 PolarHBondContact OE2-N 3.13Å; G354-L356 VanDerWaalsContact C-N 3.33Å; G354-L356 PolarHBondContact O-N 2.64Å; G354-L357 PolarHBondContact O-N 3.43Å; G354-T358 PolarHBondContact O-N 3.07Å; G354-T358 VanDerWaalsContact O-N 3.07Å; G354-T358 PolarHBondContact O-OG1 3.34Å
355	S	96.3	Very high	89.3	Confident	74 Å²	74	65.4 Å²	65.4	52%	0.517	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-38.7	-178.8	56.6	0	0	0	0	112.9	A353 L357 T358 H359	A353-S355 PolarHBondContact O-N 2.99Å; S355-L357 VanDerWaalsContact C-N 3.33Å; S355-L357 PolarHBondContact O-N 3.01Å; S355-T358 WeakPolarHBondContact O-CB 3.21Å; S355-T358 PolarHBondContact O-N 2.97Å; S355-H359 PolarHBondContact O-N 3.18Å; S355-H359 PolarHBondContact O-ND1 3.12Å
356	L	97.1	Very high	91.1	Very high	68 Å²	68	68.6 Å²	68.6	36%	0.356	37%	0.374	S	S	.	.	H	α-helix	trans	-63.5	-41	179.4	-177.7	61.6	0	0	0	111.4	P350 L352 A353 G354 A360	P350-L356 HydrophobicContact CB-CD2 4.08Å; P350-L356 HydrophobicContact CG-CD2 3.91Å; L352-L356 HydrophobicContact CD1-CD2 4.38Å; L352-L356 HydrophobicContact CD1-CG 4.08Å; A353-L356 PolarHBondContact O-N 3.28Å; G354-L356 VanDerWaalsContact C-N 3.33Å; G354-L356 PolarHBondContact O-N 2.64Å; L356-A360 WeakPolarHBondContact O-CB 3.41Å; L356-A360 PolarHBondContact O-N 3Å
357	L	98.3	Very high	93.4	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-65.9	-38.2	175	178.3	59.5	0	0	0	111.8	V173 R187 E333 L352 A353 G354 S355 A360 L361	V173-L357 HydrophobicContact CB-CD1 4.03Å; V173-L357 HydrophobicContact CG2-CD1 3.82Å; R187-L357 HydrophobicContact CB-CD2 4.05Å; E333-L357 HydrophobicContact CG-CD2 4.16Å; L352-L357 HydrophobicContact CG-CD1 4.2Å; A353-L357 PolarHBondContact O-N 3.43Å; G354-L357 PolarHBondContact O-N 3.43Å; S355-L357 VanDerWaalsContact C-N 3.33Å; S355-L357 PolarHBondContact O-N 3.01Å; L357-A360 PolarHBondContact O-N 3.13Å; L357-L361 HydrophobicContact CD1-CD1 4.17Å; L357-L361 HydrophobicContact CD1-CG 4.15Å; L357-L361 HydrophobicContact CG-CD1 3.98Å; L357-L361 HydrophobicContact CG-CG 4.44Å; L357-L361 WeakPolarHBondContact O-CB 3.44Å; L357-L361 VanDerWaalsContact O-CG 3.32Å; L357-L361 WeakPolarHBondContact O-CG 3.5Å; L357-L361 PolarHBondContact O-N 3.01Å
358	T	98.3	Very high	95.3	Very high	41 Å²	41	54.4 Å²	54.4	25%	0.252	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-50.6	175.3	-58.2	0	0	0	0	111.6	R187 G354 S355 A360 L361 E362	R187-T358 PolarHBondContact NH1-OG1 3.33Å; R187-T358 PolarHBondContact NH2-OG1 3.14Å; R187-T358 VanDerWaalsContact NH2-OG1 3.14Å; G354-T358 PolarHBondContact O-N 3.07Å; G354-T358 VanDerWaalsContact O-N 3.07Å; G354-T358 PolarHBondContact O-OG1 3.34Å; S355-T358 WeakPolarHBondContact O-CB 3.21Å; S355-T358 PolarHBondContact O-N 2.97Å; T358-A360 VanDerWaalsContact C-N 3.3Å; T358-A360 PolarHBondContact O-N 3.1Å; T358-L361 PolarHBondContact O-N 2.79Å; T358-E362 WeakPolarHBondContact O-CG 3.25Å; T358-E362 PolarHBondContact O-N 3.42Å
359	H	98.2	Very high	96.7	Very high	123 Å²	123	54.6 Å²	54.6	57%	0.569	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-40	178.4	-70.1	83.9	0	0	0	111.6	S355 E362 S363	S355-H359 PolarHBondContact O-N 3.18Å; S355-H359 PolarHBondContact O-ND1 3.12Å; H359-E362 PolarHBondContact O-N 3.08Å; H359-S363 VanDerWaalsContact O-CB 3.3Å; H359-S363 WeakPolarHBondContact O-CB 3.39Å; H359-S363 PolarHBondContact O-N 3.17Å
360	A	98.5	Very high	97.5	Very high	20 Å²	20	58.2 Å²	58.2	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-45.6	176.6	0	0	0	0	0	111.8	V173 L352 L356 L357 T358 E362 S363 H364	V173-A360 HydrophobicContact CG1-CB 4.27Å; V173-A360 HydrophobicContact CG2-CB 4.35Å; L352-A360 HydrophobicContact CD1-CB 4.13Å; L356-A360 WeakPolarHBondContact O-CB 3.41Å; L356-A360 PolarHBondContact O-N 3Å; L357-A360 PolarHBondContact O-N 3.13Å; T358-A360 VanDerWaalsContact C-N 3.3Å; T358-A360 PolarHBondContact O-N 3.1Å; A360-E362 PolarHBondContact O-N 3.45Å; A360-S363 PolarHBondContact O-N 3.44Å; A360-H364 WeakPolarHBondContact O-CB 3.47Å; A360-H364 PolarHBondContact O-CD2 3.18Å; A360-H364 PolarHBondContact O-N 2.89Å
361	L	98.7	Very high	97.9	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-42	177.3	-75.6	165.4	0	0	0	112.4	E171 V173 L357 T358 A365	E171-L361 HydrophobicContact CB-CD1 4.25Å; E171-L361 HydrophobicContact CB-CD2 3.85Å; E171-L361 HydrophobicContact CG-CD2 4.46Å; V173-L361 HydrophobicContact CG2-CD2 3.53Å; V173-L361 HydrophobicContact CG2-CG 3.81Å; L357-L361 HydrophobicContact CD1-CD1 4.17Å; L357-L361 HydrophobicContact CD1-CG 4.15Å; L357-L361 HydrophobicContact CG-CD1 3.98Å; L357-L361 HydrophobicContact CG-CG 4.44Å; L357-L361 WeakPolarHBondContact O-CB 3.44Å; L357-L361 VanDerWaalsContact O-CG 3.32Å; L357-L361 WeakPolarHBondContact O-CG 3.5Å; L357-L361 PolarHBondContact O-N 3.01Å; T358-L361 PolarHBondContact O-N 2.79Å; L361-A365 VanDerWaalsContact O-CB 3.31Å; L361-A365 WeakPolarHBondContact O-CB 3.31Å; L361-A365 PolarHBondContact O-N 3.11Å
362	E	98.4	Very high	98.2	Very high	103 Å²	103	54.8 Å²	54.8	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-48.9	177.3	-72.5	169.2	177.8	0	0	111.4	T358 H359 A360 H364 A365 E366	T358-E362 WeakPolarHBondContact O-CG 3.25Å; T358-E362 PolarHBondContact O-N 3.42Å; H359-E362 PolarHBondContact O-N 3.08Å; A360-E362 PolarHBondContact O-N 3.45Å; E362-H364 PolarHBondContact O-N 3.09Å; E362-A365 PolarHBondContact O-N 3.4Å; E362-E366 PolarHBondContact O-N 3.13Å
363	S	98.7	Very high	98.3	Very high	74 Å²	74	56.7 Å²	56.7	52%	0.517	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-43.9	178.4	179.2	0	0	0	0	112.4	H359 A360 E366 A367	H359-S363 VanDerWaalsContact O-CB 3.3Å; H359-S363 WeakPolarHBondContact O-CB 3.39Å; H359-S363 PolarHBondContact O-N 3.17Å; A360-S363 PolarHBondContact O-N 3.44Å; S363-E366 PolarHBondContact O-N 2.8Å; S363-A367 WeakPolarHBondContact O-CB 3.44Å; S363-A367 PolarHBondContact O-N 2.9Å
364	H	98.8	Very high	98.3	Very high	52 Å²	52	64.2 Å²	64.2	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-37.7	176.2	-81.6	-70.7	0	0	0	112.7	S155 F156 A360 E362 A367 F368	S155-H364 PolarHBondContact OG-CE1 2.93Å; S155-H364 VanDerWaalsContact OG-CE1 3.26Å; S155-H364 PolarHBondContact OG-ND1 3.41Å; F156-H364 HydrophobicContact CB-CB 3.96Å; F156-H364 HydrophobicContact CD1-CB 3.67Å; F156-H364 HydrophobicContact CD2-CB 3.78Å; F156-H364 HydrophobicContact CE1-CB 4.08Å; F156-H364 HydrophobicContact CE2-CB 4.17Å; F156-H364 HydrophobicContact CG-CB 3.5Å; F156-H364 VanDerWaalsContact CG-CB 3.5Å; F156-H364 HydrophobicContact CZ-CB 4.29Å; A360-H364 WeakPolarHBondContact O-CB 3.47Å; A360-H364 PolarHBondContact O-CD2 3.18Å; A360-H364 PolarHBondContact O-N 2.89Å; E362-H364 PolarHBondContact O-N 3.09Å; H364-A367 PolarHBondContact O-N 2.76Å; H364-F368 VanDerWaalsContact O-CB 3.31Å; H364-F368 WeakPolarHBondContact O-CB 3.31Å; H364-F368 PolarHBondContact O-N 2.98Å
365	A	98.8	Very high	98.4	Very high	3 Å²	3	65.1 Å²	65.1	3%	0.025	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-38.4	176.7	0	0	0	0	0	112.2	F156 L361 E362 R369	F156-A365 HydrophobicContact CE2-CB 4.25Å; F156-A365 HydrophobicContact CZ-CB 4.39Å; L361-A365 VanDerWaalsContact O-CB 3.31Å; L361-A365 WeakPolarHBondContact O-CB 3.31Å; L361-A365 PolarHBondContact O-N 3.11Å; E362-A365 PolarHBondContact O-N 3.4Å; A365-R369 WeakPolarHBondContact O-CG 3.08Å; A365-R369 PolarHBondContact O-N 2.95Å
366	E	98.6	Very high	98.5	Very high	116 Å²	116	61.6 Å²	61.6	54%	0.542	30%	0.304	S	S	.	.	H	α-helix	trans	-65.3	-51.5	173.5	-72.3	178.4	170.1	0	0	111.4	E362 S363 F368 R369 E370	E362-E366 PolarHBondContact O-N 3.13Å; S363-E366 PolarHBondContact O-N 2.8Å; E366-F368 PolarHBondContact O-N 2.92Å; E366-R369 PolarHBondContact O-N 3.07Å; E366-E370 PolarHBondContact O-N 3.43Å
367	A	98.8	Very high	98.6	Very high	50 Å²	50	62 Å²	62	41%	0.413	30%	0.304	S	S	.	.	H	α-helix	trans	-58.1	-37.1	178	0	0	0	0	0	112.6	S363 H364 R371	S363-A367 WeakPolarHBondContact O-CB 3.44Å; S363-A367 PolarHBondContact O-N 2.9Å; H364-A367 PolarHBondContact O-N 2.76Å; A367-R371 WeakPolarHBondContact O-CB 3.41Å; A367-R371 PolarHBondContact O-N 3.26Å
368	F	98.8	Very high	98.6	Very high	6 Å²	6	62 Å²	62	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-49.3	173.8	178.6	-81.1	0	0	0	111.9	F150 D152 F156 H364 E366 E370 R371 F372 Q392 L395 W462	F150-F368 HydrophobicContact CD1-CB 4.42Å; F150-F368 AromaticContact CD1-CD1 3.51Å; F150-F368 HydrophobicContact CD1-CD1 3.51Å; F150-F368 AromaticContact CD1-CE1 3.95Å; F150-F368 HydrophobicContact CD1-CE1 3.95Å; F150-F368 AromaticContact CD1-CG 3.98Å; F150-F368 HydrophobicContact CD1-CG 3.98Å; F150-F368 AromaticContact CE1-CD1 3.9Å; F150-F368 HydrophobicContact CE1-CD1 3.9Å; F150-F368 HydrophobicContact CE1-CE1 4.41Å; D152-F368 HydrophobicContact CB-CD2 4.06Å; D152-F368 HydrophobicContact CB-CE2 4.49Å; F156-F368 HydrophobicContact CE1-CB 3.77Å; F156-F368 HydrophobicContact CE1-CD2 4.06Å; F156-F368 HydrophobicContact CE1-CG 4.2Å; F156-F368 HydrophobicContact CZ-CB 3.91Å; F156-F368 HydrophobicContact CZ-CG 4.32Å; H364-F368 VanDerWaalsContact O-CB 3.31Å; H364-F368 WeakPolarHBondContact O-CB 3.31Å; H364-F368 PolarHBondContact O-N 2.98Å; E366-F368 PolarHBondContact O-N 2.92Å; F368-E370 VanDerWaalsContact C-N 3.3Å; F368-E370 PolarHBondContact O-N 3.38Å; F368-R371 PolarHBondContact O-N 2.61Å; F368-F372 HydrophobicContact CD1-CB 4.4Å; F368-F372 HydrophobicContact CE1-CB 4.07Å; F368-F372 HydrophobicContact CE1-CD2 4.36Å; F368-F372 HydrophobicContact CE1-CG 4.36Å; F368-F372 HydrophobicContact CZ-CD2 4.43Å; F368-F372 VanDerWaalsContact O-CB 3.28Å; F368-F372 WeakPolarHBondContact O-CB 3.48Å; F368-F372 PolarHBondContact O-N 2.89Å; F368-Q392 HydrophobicContact CE1-CG 3.74Å; F368-Q392 HydrophobicContact CZ-CG 4.27Å; F368-L395 HydrophobicContact CZ-CD2 4.37Å; F368-W462 AromaticContact CD2-CH2 3.88Å; F368-W462 HydrophobicContact CD2-CH2 3.88Å; F368-W462 AromaticContact CD2-CZ2 3.88Å; F368-W462 HydrophobicContact CD2-CZ2 3.88Å; F368-W462 AromaticContact CE2-CH2 3.88Å; F368-W462 HydrophobicContact CE2-CH2 3.88Å; F368-W462 AromaticContact CE2-CZ2 3.84Å; F368-W462 HydrophobicContact CE2-CZ2 3.84Å; F368-W462 HydrophobicContact CG-CH2 4.48Å; F368-W462 HydrophobicContact CZ-CH2 4.46Å
369	R	98.7	Very high	98.6	Very high	127 Å²	127	66.9 Å²	66.9	48%	0.479	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-40.9	-178.6	-69.6	178.8	-153	144.9	3.5	111.2	F150 A365 E366 F372 E373	F150-R369 HydrophobicContact CE1-CG 3.99Å; A365-R369 WeakPolarHBondContact O-CG 3.08Å; A365-R369 PolarHBondContact O-N 2.95Å; E366-R369 PolarHBondContact O-N 3.07Å; R369-F372 PolarHBondContact O-N 2.74Å; R369-E373 PolarHBondContact O-N 3.13Å
370	E	98.7	Very high	98.6	Very high	142 Å²	142	68.1 Å²	68.1	66%	0.664	33%	0.328	S	S	*	.	H	α-helix	trans	-61.5	-48.7	175.9	-70	-179.5	175.2	0	0	111.5	E366 F368 F372 K374	E366-E370 PolarHBondContact O-N 3.43Å; F368-E370 VanDerWaalsContact C-N 3.3Å; F368-E370 PolarHBondContact O-N 3.38Å; E370-F372 VanDerWaalsContact C-N 3.35Å; E370-F372 PolarHBondContact O-N 3.1Å; E370-K374 WeakPolarHBondContact O-CB 3.34Å; E370-K374 PolarHBondContact O-N 2.86Å
371	R	98.8	Very high	98.5	Very high	88 Å²	88	70.8 Å²	70.8	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-39.6	176.4	-174.5	-178.9	168.9	179.9	2.2	111.7	A367 F368 K374 T375 W462 D463	A367-R371 WeakPolarHBondContact O-CB 3.41Å; A367-R371 PolarHBondContact O-N 3.26Å; F368-R371 PolarHBondContact O-N 2.61Å; R371-K374 PolarHBondContact O-N 3.41Å; R371-T375 WeakPolarHBondContact O-CB 3.41Å; R371-T375 PolarHBondContact O-N 3.24Å; R371-T375 PolarHBondContact O-OG1 2.59Å; R371-W462 HydrophobicContact CB-CH2 3.73Å; R371-W462 HydrophobicContact CB-CZ3 3.94Å; R371-W462 HydrophobicContact CG-CE3 4.21Å; R371-W462 HydrophobicContact CG-CH2 3.53Å; R371-W462 HydrophobicContact CG-CZ2 4.27Å; R371-W462 HydrophobicContact CG-CZ3 3.47Å; R371-W462 VanDerWaalsContact CG-CZ3 3.47Å; R371-W462 PolarHBondContact NH2-O 3.16Å; R371-D463 IonicContact NH2-OD2 2.77Å; R371-D463 PolarHBondContact NH2-OD2 2.79Å
372	F	98.9	Very high	98.5	Very high	9 Å²	9	73.7 Å²	73.7	4%	0.039	37%	0.366	C	S	.	.	H	α-helix	trans	-61.4	-48.7	179.1	-178.1	-94.7	0	0	0	111.4	F368 R369 E370 T375 F376 L378 Q392 L395 W462 L830	F368-F372 HydrophobicContact CD1-CB 4.4Å; F368-F372 HydrophobicContact CE1-CB 4.07Å; F368-F372 HydrophobicContact CE1-CD2 4.36Å; F368-F372 HydrophobicContact CE1-CG 4.36Å; F368-F372 HydrophobicContact CZ-CD2 4.43Å; F368-F372 VanDerWaalsContact O-CB 3.28Å; F368-F372 WeakPolarHBondContact O-CB 3.48Å; F368-F372 PolarHBondContact O-N 2.89Å; R369-F372 PolarHBondContact O-N 2.74Å; E370-F372 VanDerWaalsContact C-N 3.35Å; E370-F372 PolarHBondContact O-N 3.1Å; F372-T375 PolarHBondContact O-N 2.97Å; F372-F376 AromaticContact CD2-CD2 3.61Å; F372-F376 HydrophobicContact CD2-CD2 3.61Å; F372-F376 AromaticContact CD2-CE2 3.92Å; F372-F376 HydrophobicContact CD2-CE2 3.92Å; F372-F376 AromaticContact CE2-CD2 3.53Å; F372-F376 HydrophobicContact CE2-CD2 3.53Å; F372-F376 AromaticContact CE2-CE2 3.91Å; F372-F376 HydrophobicContact CE2-CE2 3.91Å; F372-F376 HydrophobicContact CE2-CG 4.38Å; F372-F376 HydrophobicContact CG-CD2 4.25Å; F372-F376 HydrophobicContact CZ-CD2 4.12Å; F372-F376 PolarHBondContact O-N 3.26Å; F372-L378 HydrophobicContact CE1-CD1 3.91Å; F372-L378 HydrophobicContact CE1-CG 4.42Å; F372-L378 HydrophobicContact CZ-CD1 3.87Å; F372-Q392 HydrophobicContact CE2-CB 4.46Å; F372-Q392 HydrophobicContact CZ-CB 4.32Å; F372-L395 HydrophobicContact CD2-CD2 3.84Å; F372-L395 HydrophobicContact CE2-CB 4.46Å; F372-L395 HydrophobicContact CE2-CD2 4.07Å; F372-W462 HydrophobicContact CB-CZ3 4.27Å; F372-L830 HydrophobicContact CE2-CD1 4.1Å; F372-L830 HydrophobicContact CE2-CD2 4.21Å; F372-L830 HydrophobicContact CZ-CD1 3.84Å
373	E	98.6	Very high	98.5	Very high	49 Å²	49	69.6 Å²	69.6	23%	0.229	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-42.4	176.4	-177.7	56	-157.3	0	0	111.5	R369 T375 Q377 L378 K379 E380	R369-E373 PolarHBondContact O-N 3.13Å; E373-T375 PolarHBondContact O-N 3.47Å; E373-Q377 VanDerWaalsContact O-CA 3.25Å; E373-Q377 WeakPolarHBondContact O-CA 3.46Å; E373-Q377 PolarHBondContact O-N 2.89Å; E373-Q377 WeakPolarHBondContact OE1-CA 3.37Å; E373-L378 PolarHBondContact OE2-N 3.45Å; E373-K379 WeakPolarHBondContact OE1-CB 3.24Å; E373-K379 PolarHBondContact OE1-N 2.71Å; E373-K379 WeakPolarHBondContact OE2-CB 3.23Å; E373-K379 PolarHBondContact OE2-N 3.41Å; E373-K379 VanDerWaalsContact OE2-N 3.08Å; E373-E380 PolarHBondContact OE1-N 3.02Å
374	K	98.6	Very high	98.4	Very high	176 Å²	176	68.3 Å²	68.3	77%	0.765	34%	0.338	S	S	*	.	H	α-helix	trans	-58.6	-34.1	175.8	-175	-178.9	178	-174.9	0	112.8	E370 R371	E370-K374 WeakPolarHBondContact O-CB 3.34Å; E370-K374 PolarHBondContact O-N 2.86Å; R371-K374 PolarHBondContact O-N 3.41Å
375	T	98.7	Very high	98.4	Very high	42 Å²	42	71 Å²	71	26%	0.258	36%	0.36	S	S	.	.	H	α-helix	trans	-82.4	-46.9	-175.4	-54.9	0	0	0	0	112.1	R371 F372 E373 R461 W462	R371-T375 WeakPolarHBondContact O-CB 3.41Å; R371-T375 PolarHBondContact O-N 3.24Å; R371-T375 PolarHBondContact O-OG1 2.59Å; F372-T375 PolarHBondContact O-N 2.97Å; E373-T375 PolarHBondContact O-N 3.47Å; T375-R461 WeakPolarHBondContact CG2-O 3.37Å; T375-W462 HydrophobicContact CG2-CE3 4.49Å
376	F	98.7	Very high	98.3	Very high	0 Å²	0	72 Å²	72	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-108.1	-16.3	-169.5	-62.3	-74	0	0	0	114.2	F372 L378 K381 L395 R461 W462 L830 L831 A834	F372-F376 AromaticContact CD2-CD2 3.61Å; F372-F376 HydrophobicContact CD2-CD2 3.61Å; F372-F376 AromaticContact CD2-CE2 3.92Å; F372-F376 HydrophobicContact CD2-CE2 3.92Å; F372-F376 AromaticContact CE2-CD2 3.53Å; F372-F376 HydrophobicContact CE2-CD2 3.53Å; F372-F376 AromaticContact CE2-CE2 3.91Å; F372-F376 HydrophobicContact CE2-CE2 3.91Å; F372-F376 HydrophobicContact CE2-CG 4.38Å; F372-F376 HydrophobicContact CG-CD2 4.25Å; F372-F376 HydrophobicContact CZ-CD2 4.12Å; F372-F376 PolarHBondContact O-N 3.26Å; F376-L378 HydrophobicContact CB-CD2 4.21Å; F376-L378 HydrophobicContact CB-CG 3.98Å; F376-L378 PolarHBondContact O-N 3.31Å; F376-L378 VanDerWaalsContact O-N 3.14Å; F376-K381 PolarHBondContact O-NZ 2.57Å; F376-L395 HydrophobicContact CE2-CD2 3.76Å; F376-L395 HydrophobicContact CZ-CD2 4.31Å; F376-R461 HydrophobicContact CE1-CB 3.89Å; F376-R461 HydrophobicContact CZ-CB 4.16Å; F376-W462 HydrophobicContact CE2-CE3 4.17Å; F376-L830 HydrophobicContact CB-CD1 4.29Å; F376-L830 HydrophobicContact CD1-CD1 3.95Å; F376-L830 HydrophobicContact CD1-CD2 4.11Å; F376-L830 HydrophobicContact CD1-CG 3.94Å; F376-L830 HydrophobicContact CD2-CD1 4.34Å; F376-L830 HydrophobicContact CD2-CD2 4.29Å; F376-L830 HydrophobicContact CE1-CD1 4.39Å; F376-L830 HydrophobicContact CE1-CD2 3.71Å; F376-L830 HydrophobicContact CE1-CG 3.92Å; F376-L830 HydrophobicContact CE2-CD2 3.93Å; F376-L830 HydrophobicContact CG-CD1 3.92Å; F376-L830 HydrophobicContact CG-CD2 4.38Å; F376-L830 HydrophobicContact CG-CG 4.34Å; F376-L830 HydrophobicContact CZ-CD2 3.62Å; F376-L830 HydrophobicContact CZ-CG 4.33Å; F376-L831 HydrophobicContact CE1-CD2 4.06Å; F376-A834 HydrophobicContact CD1-CB 4.38Å
377	Q	98.6	Very high	98.3	Very high	78 Å²	78	68.6 Å²	68.6	36%	0.364	36%	0.355	S	S	.	.			trans	54.2	34	174.4	-59.8	168.4	-34.8	0	0	113.1	E373 K379 E380 K381	E373-Q377 VanDerWaalsContact O-CA 3.25Å; E373-Q377 WeakPolarHBondContact O-CA 3.46Å; E373-Q377 PolarHBondContact O-N 2.89Å; E373-Q377 WeakPolarHBondContact OE1-CA 3.37Å; Q377-K379 VanDerWaalsContact C-N 3.35Å; Q377-K379 PolarHBondContact O-N 2.94Å; Q377-E380 HydrophobicContact CB-CB 4.22Å; Q377-E380 PolarHBondContact O-N 3.4Å; Q377-K381 HydrophobicContact CB-CD 4.48Å; Q377-K381 VanDerWaalsContact O-CB 3.31Å; Q377-K381 WeakPolarHBondContact O-CB 3.43Å; Q377-K381 VanDerWaalsContact O-CG 3.23Å; Q377-K381 WeakPolarHBondContact O-CG 3.16Å; Q377-K381 PolarHBondContact O-N 2.77Å
378	L	98.5	Very high	98.3	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-37.7	-173.6	-63.5	-169.9	0	0	0	111.3	F372 E373 F376 K381 G382 L383 Q388 L830 M833 A834	F372-L378 HydrophobicContact CE1-CD1 3.91Å; F372-L378 HydrophobicContact CE1-CG 4.42Å; F372-L378 HydrophobicContact CZ-CD1 3.87Å; E373-L378 PolarHBondContact OE2-N 3.45Å; F376-L378 HydrophobicContact CB-CD2 4.21Å; F376-L378 HydrophobicContact CB-CG 3.98Å; F376-L378 PolarHBondContact O-N 3.31Å; F376-L378 VanDerWaalsContact O-N 3.14Å; L378-K381 PolarHBondContact O-N 2.81Å; L378-G382 PolarHBondContact O-N 3.03Å; L378-L383 HydrophobicContact CB-CB 4.28Å; L378-L383 HydrophobicContact CB-CG 4.45Å; L378-L383 WeakPolarHBondContact O-CB 3.33Å; L378-L383 WeakPolarHBondContact O-CD2 3.44Å; L378-L383 PolarHBondContact O-N 2.74Å; L378-Q388 HydrophobicContact CB-CG 4Å; L378-L830 HydrophobicContact CD1-CD1 3.89Å; L378-M833 HydrophobicContact CD1-CE 4.37Å; L378-M833 HydrophobicContact CD2-CB 4.07Å; L378-A834 HydrophobicContact CD2-CB 4.05Å
379	K	97.9	Very high	98.2	Very high	144 Å²	144	70.5 Å²	70.5	63%	0.626	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-43.1	176.4	-175.6	-173.3	174.7	-174.1	0	110.9	E373 Q377 K381 G382	E373-K379 WeakPolarHBondContact OE1-CB 3.24Å; E373-K379 PolarHBondContact OE1-N 2.71Å; E373-K379 WeakPolarHBondContact OE2-CB 3.23Å; E373-K379 PolarHBondContact OE2-N 3.41Å; E373-K379 VanDerWaalsContact OE2-N 3.08Å; Q377-K379 VanDerWaalsContact C-N 3.35Å; Q377-K379 PolarHBondContact O-N 2.94Å; K379-K381 VanDerWaalsContact C-N 3.3Å; K379-K381 PolarHBondContact O-N 3.22Å; K379-G382 PolarHBondContact O-N 3.43Å
380	E	97.8	Very high	98.2	Very high	149 Å²	149	64.5 Å²	64.5	70%	0.696	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-39.9	175.3	-174.3	177.8	171.9	0	0	112.2	E373 Q377 G382	E373-E380 PolarHBondContact OE1-N 3.02Å; Q377-E380 HydrophobicContact CB-CB 4.22Å; Q377-E380 PolarHBondContact O-N 3.4Å; E380-G382 PolarHBondContact O-N 3.11Å
381	K	97.6	Very high	98.2	Very high	76 Å²	76	57.7 Å²	57.7	33%	0.33	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	2.8	175	-69.7	169.2	-176.3	168.3	0	113.8	F376 Q377 L378 K379 L383 A834 D836	F376-K381 PolarHBondContact O-NZ 2.57Å; Q377-K381 HydrophobicContact CB-CD 4.48Å; Q377-K381 VanDerWaalsContact O-CB 3.31Å; Q377-K381 WeakPolarHBondContact O-CB 3.43Å; Q377-K381 VanDerWaalsContact O-CG 3.23Å; Q377-K381 WeakPolarHBondContact O-CG 3.16Å; Q377-K381 PolarHBondContact O-N 2.77Å; L378-K381 PolarHBondContact O-N 2.81Å; K379-K381 VanDerWaalsContact C-N 3.3Å; K379-K381 PolarHBondContact O-N 3.22Å; K381-L383 HydrophobicContact CB-CD2 3.61Å; K381-A834 WeakPolarHBondContact CE-O 3.39Å; K381-A834 PolarHBondContact NZ-O 2.8Å; K381-D836 IonicContact NZ-OD1 3.62Å
382	G	97.8	Very high	98.2	Very high	64 Å²	64	54.8 Å²	54.8	66%	0.66	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	16.6	172.9	0	0	0	0	0	115.5	L378 K379 E380	L378-G382 PolarHBondContact O-N 3.03Å; K379-G382 PolarHBondContact O-N 3.43Å; E380-G382 PolarHBondContact O-N 3.11Å
383	L	98.2	Very high	98.2	Very high	17 Å²	17	54.6 Å²	54.6	9%	0.089	30%	0.3	C	S	.	.			trans	-71	144	177	-72.4	-63.4	0	0	0	110.5	L378 K381 E387 Q388 M833	L378-L383 HydrophobicContact CB-CB 4.28Å; L378-L383 HydrophobicContact CB-CG 4.45Å; L378-L383 WeakPolarHBondContact O-CB 3.33Å; L378-L383 WeakPolarHBondContact O-CD2 3.44Å; L378-L383 PolarHBondContact O-N 2.74Å; K381-L383 HydrophobicContact CB-CD2 3.61Å; L383-E387 HydrophobicContact CB-CB 4.14Å; L383-E387 HydrophobicContact CD1-CB 4.36Å; L383-Q388 PolarHBondContact O-NE2 3.3Å; L383-M833 HydrophobicContact CD1-CB 4.5Å; L383-M833 HydrophobicContact CD1-CG 4.48Å
384	S	97.8	Very high	98.2	Very high	47 Å²	47	52.2 Å²	52.2	33%	0.329	29%	0.289	S	S	.	.			trans	-66.3	158.2	-179.2	68.4	0	0	0	0	112.4	G386 E387 Q388	S384-G386 PolarHBondContact O-N 3.18Å; S384-G386 VanDerWaalsContact O-N 3.13Å; S384-E387 VanDerWaalsContact CB-OE2 3.27Å; S384-E387 WeakPolarHBondContact CB-OE2 3.23Å; S384-E387 PolarHBondContact N-OE2 3.32Å; S384-E387 PolarHBondContact O-N 2.72Å; S384-E387 WeakPolarHBondContact OG-CG 3.37Å; S384-E387 PolarHBondContact OG-N 3.19Å; S384-E387 PolarHBondContact OG-OE2 2.99Å; S384-Q388 WeakPolarHBondContact O-CG 3.4Å; S384-Q388 PolarHBondContact O-N 3.25Å
385	P	97.7	Very high	98.2	Very high	107 Å²	107	43.9 Å²	43.9	70%	0.695	25%	0.252	S	S	*	.	H	α-helix	trans	-55.7	-32.3	175.8	-27.4	35.5	0	0	0	113.8	A389	P385-A389 WeakPolarHBondContact O-CB 3.44Å; P385-A389 PolarHBondContact O-N 2.99Å
386	G	97.1	Very high	98.2	Very high	25 Å²	25	41.9 Å²	41.9	26%	0.258	24%	0.24	S	C	.	.	H	α-helix	trans	-70	-37.4	176.1	0	0	0	0	0	113.2	S384 A389 L390	S384-G386 PolarHBondContact O-N 3.18Å; S384-G386 VanDerWaalsContact O-N 3.13Å; G386-A389 PolarHBondContact O-N 3.29Å; G386-L390 PolarHBondContact O-N 3.15Å
387	E	97.8	Very high	98.2	Very high	44 Å²	44	42.1 Å²	42.1	21%	0.206	24%	0.242	C	C	.	.	H	α-helix	trans	-70.7	-37.7	173.9	-71.8	163.1	133.1	0	0	111.7	L383 S384 A389 L390 G391 W796 M833	L383-E387 HydrophobicContact CB-CB 4.14Å; L383-E387 HydrophobicContact CD1-CB 4.36Å; S384-E387 VanDerWaalsContact CB-OE2 3.27Å; S384-E387 WeakPolarHBondContact CB-OE2 3.23Å; S384-E387 PolarHBondContact N-OE2 3.32Å; S384-E387 PolarHBondContact O-N 2.72Å; S384-E387 WeakPolarHBondContact OG-CG 3.37Å; S384-E387 PolarHBondContact OG-N 3.19Å; S384-E387 PolarHBondContact OG-OE2 2.99Å; E387-A389 VanDerWaalsContact C-N 3.34Å; E387-A389 PolarHBondContact O-N 2.89Å; E387-L390 WeakPolarHBondContact O-CB 3.23Å; E387-L390 PolarHBondContact O-N 3.16Å; E387-G391 PolarHBondContact O-N 3.16Å; E387-W796 HydrophobicContact CG-CG 4.5Å; E387-M833 HydrophobicContact CB-SD 3.89Å; E387-M833 HydrophobicContact CG-SD 4.39Å
388	Q	98.5	Very high	98.2	Very high	48 Å²	48	38.5 Å²	38.5	22%	0.224	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-45.3	171.6	-67	172.3	42.6	0	0	111.1	L378 L383 S384 L390 G391 Q392	L378-Q388 HydrophobicContact CB-CG 4Å; L383-Q388 PolarHBondContact O-NE2 3.3Å; S384-Q388 WeakPolarHBondContact O-CG 3.4Å; S384-Q388 PolarHBondContact O-N 3.25Å; Q388-L390 VanDerWaalsContact C-N 3.35Å; Q388-L390 PolarHBondContact O-N 3.4Å; Q388-G391 PolarHBondContact O-N 3.23Å; Q388-Q392 PolarHBondContact O-N 2.83Å
389	A	98.1	Very high	98.3	Very high	49 Å²	49	38.6 Å²	38.6	41%	0.405	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-37.6	175.8	0	0	0	0	0	112.8	P385 G386 E387 A393	P385-A389 WeakPolarHBondContact O-CB 3.44Å; P385-A389 PolarHBondContact O-N 2.99Å; G386-A389 PolarHBondContact O-N 3.29Å; E387-A389 VanDerWaalsContact C-N 3.34Å; E387-A389 PolarHBondContact O-N 2.89Å; A389-A393 WeakPolarHBondContact O-CB 3.23Å; A389-A393 PolarHBondContact O-N 3.22Å
390	L	98.6	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-46.9	171.9	172.7	67.9	0	0	0	111.2	G386 E387 Q388 A393 A394 V795 W796 Y799 L805 V829 M833	G386-L390 PolarHBondContact O-N 3.15Å; E387-L390 WeakPolarHBondContact O-CB 3.23Å; E387-L390 PolarHBondContact O-N 3.16Å; Q388-L390 VanDerWaalsContact C-N 3.35Å; Q388-L390 PolarHBondContact O-N 3.4Å; L390-A393 PolarHBondContact O-N 3.36Å; L390-A394 WeakPolarHBondContact O-CB 3.29Å; L390-A394 PolarHBondContact O-N 2.97Å; L390-V795 HydrophobicContact CD1-CG1 4.3Å; L390-V795 HydrophobicContact CD2-CG1 4.26Å; L390-W796 HydrophobicContact CD2-CB 3.99Å; L390-Y799 HydrophobicContact CB-CD1 4.44Å; L390-Y799 HydrophobicContact CD1-CD1 3.78Å; L390-Y799 HydrophobicContact CD1-CD2 4.34Å; L390-Y799 HydrophobicContact CD1-CE1 4.46Å; L390-Y799 HydrophobicContact CD1-CG 3.7Å; L390-L805 HydrophobicContact CD1-CD1 3.76Å; L390-V829 HydrophobicContact CD2-CG1 4.46Å; L390-V829 HydrophobicContact CD2-CG2 4.19Å; L390-V829 HydrophobicContact CG-CG1 4.41Å; L390-M833 HydrophobicContact CD2-CE 4.29Å; L390-M833 HydrophobicContact CD2-SD 4.26Å; L390-M833 HydrophobicContact CG-CE 4.33Å
391	G	98.7	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-44.2	178.7	0	0	0	0	0	112.3	E387 Q388 A394 L395	E387-G391 PolarHBondContact O-N 3.16Å; Q388-G391 PolarHBondContact O-N 3.23Å; G391-A394 PolarHBondContact O-N 3.3Å; G391-L395 PolarHBondContact O-N 3Å; G391-L395 VanDerWaalsContact O-N 3.09Å
392	Q	98.8	Very high	98.4	Very high	27 Å²	27	21.6 Å²	21.6	13%	0.126	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-46.1	174.6	168.6	177.7	-39.9	0	0	112	E149 F150 F368 F372 Q388 S396	E149-Q392 VanDerWaalsContact O-CG 3.32Å; E149-Q392 WeakPolarHBondContact O-CG 3.34Å; E149-Q392 PolarHBondContact O-NE2 2.85Å; F150-Q392 VanDerWaalsContact CD1-NE2 3.27Å; F150-Q392 VanDerWaalsContact CE1-CD 3.5Å; F368-Q392 HydrophobicContact CE1-CG 3.74Å; F368-Q392 HydrophobicContact CZ-CG 4.27Å; F372-Q392 HydrophobicContact CE2-CB 4.46Å; F372-Q392 HydrophobicContact CZ-CB 4.32Å; Q388-Q392 PolarHBondContact O-N 2.83Å; Q392-S396 VanDerWaalsContact O-CB 3.23Å; Q392-S396 WeakPolarHBondContact O-CB 2.84Å; Q392-S396 PolarHBondContact O-N 3.38Å; Q392-S396 PolarHBondContact O-OG 3.19Å
393	A	98.1	Very high	98.4	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-39	179.2	0	0	0	0	0	112.1	A389 L390 S397 Y799	A389-A393 WeakPolarHBondContact O-CB 3.23Å; A389-A393 PolarHBondContact O-N 3.22Å; L390-A393 PolarHBondContact O-N 3.36Å; A393-S397 VanDerWaalsContact O-CB 3.25Å; A393-S397 WeakPolarHBondContact O-CB 3.3Å; A393-S397 PolarHBondContact O-N 3.17Å; A393-S397 PolarHBondContact O-OG 3.45Å; A393-Y799 HydrophobicContact CB-CE2 4.41Å; A393-Y799 WeakPolarHBondContact CB-OH 3.26Å
394	A	98.8	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.8	-47.4	177	0	0	0	0	0	112.1	L390 G391 L398 L805 S827 V829	L390-A394 WeakPolarHBondContact O-CB 3.29Å; L390-A394 PolarHBondContact O-N 2.97Å; G391-A394 PolarHBondContact O-N 3.3Å; A394-L398 WeakPolarHBondContact O-CB 3.36Å; A394-L398 PolarHBondContact O-N 2.7Å; A394-L805 HydrophobicContact CB-CD2 4.07Å; A394-S827 PolarHBondContact O-OG 3.12Å; A394-V829 HydrophobicContact CB-CG1 4.17Å
395	L	98.9	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.7	-53.2	175.6	179	64.8	0	0	0	111.6	F368 F372 F376 G391 S397 L398 L399 V458 W462 L830	F368-L395 HydrophobicContact CZ-CD2 4.37Å; F372-L395 HydrophobicContact CD2-CD2 3.84Å; F372-L395 HydrophobicContact CE2-CB 4.46Å; F372-L395 HydrophobicContact CE2-CD2 4.07Å; F376-L395 HydrophobicContact CE2-CD2 3.76Å; F376-L395 HydrophobicContact CZ-CD2 4.31Å; G391-L395 PolarHBondContact O-N 3Å; G391-L395 VanDerWaalsContact O-N 3.09Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 3.27Å; L395-L398 PolarHBondContact O-N 3.05Å; L395-L399 HydrophobicContact CD1-CD1 3.83Å; L395-L399 HydrophobicContact CD1-CG 4.1Å; L395-L399 HydrophobicContact CD2-CD1 4.49Å; L395-L399 HydrophobicContact CG-CD1 3.82Å; L395-L399 HydrophobicContact CG-CG 4.41Å; L395-L399 WeakPolarHBondContact O-CG 3.39Å; L395-L399 PolarHBondContact O-N 2.9Å; L395-V458 HydrophobicContact CD1-CG1 4.1Å; L395-W462 HydrophobicContact CD1-CB 4.01Å; L395-W462 HydrophobicContact CD1-CG 4.29Å; L395-W462 HydrophobicContact CD2-CB 4.41Å; L395-W462 HydrophobicContact CD2-CD2 3.85Å; L395-W462 HydrophobicContact CD2-CE3 3.76Å; L395-W462 HydrophobicContact CD2-CG 4.16Å; L395-W462 HydrophobicContact CD2-CZ3 4.21Å; L395-L830 HydrophobicContact CB-CD2 3.81Å
396	S	98.9	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.7	-43.2	-175.1	-62.8	0	0	0	0	111.4	E149 F150 H151 Q392 G400	E149-S396 PolarHBondContact O-OG 3.39Å; F150-S396 WeakPolarHBondContact CA-OG 3.44Å; H151-S396 VanDerWaalsContact CB-O 3.27Å; H151-S396 WeakPolarHBondContact CB-O 3.37Å; H151-S396 PolarHBondContact N-OG 3.46Å; H151-S396 VanDerWaalsContact N-OG 3.16Å; Q392-S396 VanDerWaalsContact O-CB 3.23Å; Q392-S396 WeakPolarHBondContact O-CB 2.84Å; Q392-S396 PolarHBondContact O-N 3.38Å; Q392-S396 PolarHBondContact O-OG 3.19Å; S396-G400 PolarHBondContact O-N 3.27Å
397	S	98.6	Very high	98.5	Very high	6 Å²	6	15.5 Å²	15.5	4%	0.042	8%	0.083	C	C	.	.	H	α-helix	trans	-76.8	-25.7	-178.9	-66.8	0	0	0	0	113.9	W148 A393 L395 G401 H823	W148-S397 PolarHBondContact N-OG 3.33Å; W148-S397 VanDerWaalsContact N-OG 3.08Å; W148-S397 PolarHBondContact O-OG 2.93Å; A393-S397 VanDerWaalsContact O-CB 3.25Å; A393-S397 WeakPolarHBondContact O-CB 3.3Å; A393-S397 PolarHBondContact O-N 3.17Å; A393-S397 PolarHBondContact O-OG 3.45Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 3.27Å; S397-G401 PolarHBondContact O-N 2.86Å; S397-G401 VanDerWaalsContact O-N 3.16Å; S397-H823 WeakPolarHBondContact CB-CD2 3.44Å; S397-H823 VanDerWaalsContact CB-ND1 3.29Å; S397-H823 WeakPolarHBondContact CB-ND1 3.2Å
398	L	98.9	Very high	98.4	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-67.8	-49.2	169.4	174.4	63.5	0	0	0	110.4	A394 L395 G400 G401 A437 H455 V458 V459 H823	A394-L398 WeakPolarHBondContact O-CB 3.36Å; A394-L398 PolarHBondContact O-N 2.7Å; L395-L398 PolarHBondContact O-N 3.05Å; L398-G400 PolarHBondContact O-N 3.41Å; L398-G401 WeakPolarHBondContact O-CA 3.35Å; L398-G401 PolarHBondContact O-N 2.65Å; L398-A437 HydrophobicContact CD1-CB 3.96Å; L398-H455 HydrophobicContact CD1-CB 4.02Å; L398-V458 HydrophobicContact CD2-CB 3.66Å; L398-V458 HydrophobicContact CD2-CG1 3.84Å; L398-V458 HydrophobicContact CD2-CG2 4.22Å; L398-V459 HydrophobicContact CD2-CG2 3.94Å; L398-V459 HydrophobicContact CG-CG2 4.25Å; L398-H823 WeakPolarHBondContact CD1-O 3.47Å
399	L	98.9	Very high	98.3	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-43.7	177.1	-67	173.9	0	0	0	111.7	H151 L395 G401 I402 V459 W462 L466	H151-L399 WeakPolarHBondContact O-CD1 3.31Å; L395-L399 HydrophobicContact CD1-CD1 3.83Å; L395-L399 HydrophobicContact CD1-CG 4.1Å; L395-L399 HydrophobicContact CD2-CD1 4.49Å; L395-L399 HydrophobicContact CG-CD1 3.82Å; L395-L399 HydrophobicContact CG-CG 4.41Å; L395-L399 WeakPolarHBondContact O-CG 3.39Å; L395-L399 PolarHBondContact O-N 2.9Å; L399-G401 PolarHBondContact O-N 3.35Å; L399-I402 HydrophobicContact CD2-CD1 4Å; L399-I402 WeakPolarHBondContact O-CB 3.29Å; L399-I402 WeakPolarHBondContact O-CG1 3.41Å; L399-I402 PolarHBondContact O-N 3.3Å; L399-I402 VanDerWaalsContact O-N 3.11Å; L399-V459 HydrophobicContact CD2-CG1 4.24Å; L399-V459 HydrophobicContact CD2-CG2 4.2Å; L399-W462 HydrophobicContact CD1-CG 4.28Å; L399-L466 HydrophobicContact CD2-CD1 3.95Å
400	G	98.6	Very high	98.1	Very high	2 Å²	2	15.5 Å²	15.5	2%	0.021	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-0.4	174.6	0	0	0	0	0	114.5	W148 S396 L398	W148-G400 PolarHBondContact NE1-O 2.86Å; S396-G400 PolarHBondContact O-N 3.27Å; L398-G400 PolarHBondContact O-N 3.41Å
401	G	98.4	Very high	97.9	Very high	4 Å²	4	15.7 Å²	15.7	4%	0.041	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.2	169.5	0	0	0	0	0	113.8	P101 S397 L398 L399 G403 V438	P101-G401 WeakPolarHBondContact CB-O 3.07Å; S397-G401 PolarHBondContact O-N 2.86Å; S397-G401 VanDerWaalsContact O-N 3.16Å; L398-G401 WeakPolarHBondContact O-CA 3.35Å; L398-G401 PolarHBondContact O-N 2.65Å; L399-G401 PolarHBondContact O-N 3.35Å; G401-G403 PolarHBondContact O-N 2.92Å; G401-V438 WeakPolarHBondContact O-CG2 3.14Å
402	I	98.9	Very high	97.7	Very high	7 Å²	7	16.3 Å²	16.3	4%	0.036	8%	0.084	C	C	.	.			trans	-65	129.8	177.3	-65.3	172.1	0	0	0	110	Y99 L399 F435 T436 A437 L466	Y99-I402 WeakPolarHBondContact CA-O 3.28Å; Y99-I402 HydrophobicContact CD1-CG2 4.42Å; Y99-I402 HydrophobicContact CE1-CG2 4.45Å; L399-I402 HydrophobicContact CD2-CD1 4Å; L399-I402 WeakPolarHBondContact O-CB 3.29Å; L399-I402 WeakPolarHBondContact O-CG1 3.41Å; L399-I402 PolarHBondContact O-N 3.3Å; L399-I402 VanDerWaalsContact O-N 3.11Å; I402-F435 HydrophobicContact CG2-CD2 3.99Å; I402-F435 HydrophobicContact CG2-CE1 4Å; I402-F435 HydrophobicContact CG2-CE2 3.4Å; I402-F435 VanDerWaalsContact CG2-CE2 3.4Å; I402-F435 HydrophobicContact CG2-CZ 3.42Å; I402-F435 VanDerWaalsContact CG2-CZ 3.42Å; I402-T436 WeakPolarHBondContact CA-O 3.24Å; I402-A437 HydrophobicContact CG1-CB 4.17Å; I402-L466 HydrophobicContact CD1-CD1 4.5Å
403	G	98.7	Very high	97.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	162.3	-179.7	0	0	0	0	0	113.1	G401 F435 T436	G401-G403 PolarHBondContact O-N 2.92Å; G403-F435 WeakPolarHBondContact O-CA 3.33Å; G403-T436 PolarHBondContact N-O 3.34Å; G403-T436 PolarHBondContact O-N 3.24Å; G403-T436 VanDerWaalsContact O-N 3.14Å
404	Y	98.7	Very high	96.7	Very high	9 Å²	9	18.5 Å²	18.5	4%	0.035	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.8	170.5	-175	-89.2	0	0	0	109.7	Y99 K108 R110 S111 P433 L434 F435	Y99-Y404 PolarHBondContact O-N 3.46Å; K108-Y404 PolarHBondContact NZ-O 3.32Å; R110-Y404 VanDerWaalsContact C-CE1 3.49Å; R110-Y404 HydrophobicContact CB-CD1 4.36Å; R110-Y404 HydrophobicContact CB-CD2 3.7Å; R110-Y404 HydrophobicContact CB-CE1 4.41Å; R110-Y404 HydrophobicContact CB-CE2 3.75Å; R110-Y404 HydrophobicContact CB-CG 4.01Å; R110-Y404 HydrophobicContact CG-CD2 3.71Å; R110-Y404 HydrophobicContact CG-CE2 4.25Å; R110-Y404 HydrophobicContact CG-CG 3.95Å; S111-Y404 VanDerWaalsContact N-CE1 3.3Å; S111-Y404 WeakPolarHBondContact O-CE1 3.15Å; Y404-P433 HydrophobicContact CE2-CB 4.02Å; Y404-P433 VanDerWaalsContact OH-CB 3.29Å; Y404-P433 WeakPolarHBondContact OH-CB 3.3Å; Y404-L434 WeakPolarHBondContact CA-O 3.41Å; Y404-F435 HydrophobicContact CD2-CB 4.26Å; Y404-F435 HydrophobicContact CD2-CD2 4.35Å
405	F	98.6	Very high	95.8	Very high	23 Å²	23	20.7 Å²	20.7	10%	0.101	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148	-175.4	-49.3	-86.2	0	0	0	110	P101 P433 L434 T436 V438 P445 L490	P101-F405 HydrophobicContact CG-CZ 4.15Å; F405-P433 CarbonylContact O-C 3.52Å; F405-P433 VanDerWaalsContact O-CA 3.28Å; F405-P433 WeakPolarHBondContact O-CA 3.49Å; F405-L434 HydrophobicContact CB-CB 4.43Å; F405-L434 PolarHBondContact N-O 3.38Å; F405-L434 PolarHBondContact O-N 3.49Å; F405-T436 HydrophobicContact CD2-CG2 3.94Å; F405-T436 HydrophobicContact CE2-CG2 3.64Å; F405-V438 HydrophobicContact CE2-CG1 4.23Å; F405-V438 HydrophobicContact CZ-CG1 3.94Å; F405-P445 WeakPolarHBondContact CE1-O 3.25Å; F405-P445 WeakPolarHBondContact CZ-O 3.17Å; F405-L490 HydrophobicContact CB-CB 4.03Å; F405-L490 HydrophobicContact CB-CD1 4.5Å
406	Y	97.9	Very high	94.4	Very high	87 Å²	87	22.6 Å²	22.6	34%	0.341	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.7	174.6	-177.1	-95.6	0	0	0	109.9	P112 P431 L432 P433 G491	P112-Y406 HydrophobicContact CB-CD1 3.59Å; P112-Y406 HydrophobicContact CB-CD2 3.85Å; P112-Y406 HydrophobicContact CB-CE1 3.47Å; P112-Y406 VanDerWaalsContact CB-CE1 3.47Å; P112-Y406 HydrophobicContact CB-CE2 3.75Å; P112-Y406 HydrophobicContact CB-CG 3.79Å; Y406-P431 HydrophobicContact CE1-CB 4.25Å; Y406-L432 WeakPolarHBondContact CA-O 3.45Å; Y406-P433 HydrophobicContact CD2-CB 4.15Å; Y406-G491 PolarHBondContact O-N 2.87Å
407	G	97	Very high	92.9	Very high	12 Å²	12	26.9 Å²	26.9	12%	0.124	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-167.8	173.9	0	0	0	0	0	113.3	P431 L432	G407-P431 WeakPolarHBondContact O-CA 3.46Å; G407-L432 PolarHBondContact N-O 3.44Å; G407-L432 PolarHBondContact O-N 3.4Å; G407-L432 VanDerWaalsContact O-N 3.1Å
408	Q	96.9	Very high	91.3	Very high	77 Å²	77	32.6 Å²	32.6	36%	0.36	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-101.4	129	-179.2	-59.4	-173.6	-89.9	0	0	110.7	L428 F429 P431	Q408-L428 HydrophobicContact CB-CB 4.49Å; Q408-L428 HydrophobicContact CB-CD2 4.04Å; Q408-F429 VanDerWaalsContact CB-O 3.29Å; Q408-F429 WeakPolarHBondContact CB-O 3.44Å; Q408-F429 VanDerWaalsContact CG-O 3.26Å; Q408-F429 WeakPolarHBondContact CG-O 3.34Å; Q408-F429 PolarHBondContact NE2-O 2.68Å; Q408-P431 HydrophobicContact CG-CB 3.78Å; Q408-P431 HydrophobicContact CG-CG 4.38Å
409	G	94.8	Very high	89.4	Confident	12 Å²	12	35.3 Å²	35.3	12%	0.124	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-81.9	162.4	167.4	0	0	0	0	0	112	F429	G409-F429 PolarHBondContact O-N 3.1Å
410	L	95.2	Very high	87.4	Confident	52 Å²	52	36.3 Å²	36.3	27%	0.272	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.2	171.3	-74.1	168.7	0	0	0	109.9	P426 L428 L503 V504 Q505	L410-P426 HydrophobicContact CD2-CB 4.44Å; L410-L428 HydrophobicContact CD2-CD2 3.67Å; L410-L428 HydrophobicContact CD2-CG 4.33Å; L410-L428 HydrophobicContact CG-CD2 4.37Å; L410-L503 HydrophobicContact CD1-CB 4.17Å; L410-V504 HydrophobicContact CB-CG2 4.24Å; L410-V504 HydrophobicContact CD1-CG2 4.41Å; L410-Q505 PolarHBondContact O-N 3.23Å
411	V	94.6	Very high	85.5	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.3	-175.9	179.4	0	0	0	0	109.9	V72 A427 F429 W483 Q505 A507	V72-V411 HydrophobicContact CG1-CB 4.47Å; V411-A427 PolarHBondContact N-O 3.31Å; V411-A427 PolarHBondContact O-N 3.13Å; V411-F429 HydrophobicContact CG2-CB 3.94Å; V411-F429 HydrophobicContact CG2-CD2 4.07Å; V411-F429 HydrophobicContact CG2-CG 4.22Å; V411-W483 HydrophobicContact CB-CZ3 4.46Å; V411-W483 HydrophobicContact CG1-CH2 3.91Å; V411-W483 HydrophobicContact CG1-CZ3 3.76Å; V411-W483 HydrophobicContact CG2-CH2 3.93Å; V411-W483 HydrophobicContact CG2-CZ3 3.8Å; V411-Q505 CarbonylContact C-O 3.55Å; V411-Q505 VanDerWaalsContact CA-O 3.3Å; V411-Q505 WeakPolarHBondContact CA-O 3.31Å; V411-A507 HydrophobicContact CG1-CB 4.32Å
412	L	93.2	Very high	83.5	Confident	12 Å²	12	48.2 Å²	48.2	6%	0.063	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	110.2	166.2	-168.8	67.2	0	0	0	108.7	E421 V424 V504 Q505 R506 A507	L412-E421 HydrophobicContact CD2-CB 3.85Å; L412-E421 HydrophobicContact CD2-CG 4.13Å; L412-V424 HydrophobicContact CD1-CB 3.95Å; L412-V424 HydrophobicContact CD1-CG1 4.05Å; L412-V424 VanDerWaalsContact CD1-O 3.23Å; L412-V424 WeakPolarHBondContact CD1-O 3.15Å; L412-V504 HydrophobicContact CB-CG1 3.75Å; L412-Q505 PolarHBondContact N-O 3.24Å; L412-R506 HydrophobicContact CB-CG 4.09Å; L412-R506 HydrophobicContact CD2-CG 4.03Å; L412-A507 WeakPolarHBondContact O-CB 3.35Å; L412-A507 PolarHBondContact O-N 2.92Å
413	P	90.1	Very high	81.7	Confident	11 Å²	11	57 Å²	57	7%	0.071	31%	0.306	C	S	.	.			trans	-63.2	147.7	179.9	-24	35.1	0	0	0	113.2	A68 A71 M415	A68-P413 HydrophobicContact CB-CB 4.49Å; A71-P413 HydrophobicContact CB-CB 3.75Å; A71-P413 HydrophobicContact CB-CG 4.25Å; P413-M415 HydrophobicContact CB-SD 4.46Å
414	D	85.7	Confident	80.5	Confident	67 Å²	67	58.9 Å²	58.9	36%	0.358	32%	0.318	S	S	.	.			trans	-82.5	114.9	168.7	-177.2	14.9	0	0	0	110.5	G416 V508	D414-G416 VanDerWaalsContact C-N 3.26Å; D414-G416 PolarHBondContact O-N 3.09Å; D414-G416 WeakPolarHBondContact OD1-CA 3.36Å; D414-G416 PolarHBondContact OD1-N 2.78Å; D414-V508 HydrophobicContact CB-CB 4.07Å
415	M	79.4	Confident	79.8	Confident	45 Å²	45	65.2 Å²	65.2	22%	0.222	35%	0.352	C	S	.	.			trans	-84.5	-1.1	176.4	-57.1	-56.2	-74.3	0	0	112.7	A64 R67 A68 P413 V417 V424	A64-M415 HydrophobicContact CB-CE 3.61Å; R67-M415 PolarHBondContact NH1-O 3.41Å; A68-M415 HydrophobicContact CB-SD 4.28Å; P413-M415 HydrophobicContact CB-SD 4.46Å; M415-V417 VanDerWaalsContact C-N 3.32Å; M415-V424 HydrophobicContact CG-CG2 3.65Å
416	G	70.4	Confident	79.4	Confident	41 Å²	41	67 Å²	67	42%	0.423	37%	0.367	S	S	.	.	S	Bend	trans	69.3	26.7	179.4	0	0	0	0	0	113.8	D414	D414-G416 VanDerWaalsContact C-N 3.26Å; D414-G416 PolarHBondContact O-N 3.09Å; D414-G416 WeakPolarHBondContact OD1-CA 3.36Å; D414-G416 PolarHBondContact OD1-N 2.78Å
417	V	67.6	Low	79.1	Confident	89 Å²	89	64.6 Å²	64.6	54%	0.539	36%	0.364	S	S	.	.	S	Bend	trans	-127.5	113.7	170.1	178.8	0	0	0	0	107	M415 G419 S420	M415-V417 VanDerWaalsContact C-N 3.32Å; V417-G419 PolarHBondContact O-N 3.4Å; V417-S420 VanDerWaalsContact O-CB 3.23Å; V417-S420 WeakPolarHBondContact O-CB 3.45Å; V417-S420 PolarHBondContact O-N 3.49Å; V417-S420 PolarHBondContact O-OG 3.49Å
418	E	63.9	Low	79	Confident	127 Å²	127	68.8 Å²	68.8	59%	0.593	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.6	178.3	-79	-168.6	152.3	0	0	110.6	S420 R561 V593	E418-S420 VanDerWaalsContact C-N 3.3Å; E418-S420 PolarHBondContact O-N 2.69Å; E418-R561 IonicContact OE1-CZ 3.8Å; E418-R561 IonicContact OE1-NH1 3.76Å; E418-R561 IonicContact OE1-NH2 3.51Å; E418-R561 PolarHBondContact OE1-NH2 2.89Å; E418-V593 VanDerWaalsContact OE2-CG1 3.22Å; E418-V593 WeakPolarHBondContact OE2-CG1 3.35Å
419	G	60.8	Low	79	Confident	58 Å²	58	65.8 Å²	65.8	60%	0.598	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	0.5	-177.3	0	0	0	0	0	115.6	V417 E421	V417-G419 PolarHBondContact O-N 3.4Å; G419-E421 PolarHBondContact O-N 2.9Å
420	S	57	Low	79.1	Confident	22 Å²	22	67 Å²	67	15%	0.154	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-72.1	-10.3	173.8	63.8	0	0	0	0	114.4	V417 E418 Q422 K423	V417-S420 VanDerWaalsContact O-CB 3.23Å; V417-S420 WeakPolarHBondContact O-CB 3.45Å; V417-S420 PolarHBondContact O-N 3.49Å; V417-S420 PolarHBondContact O-OG 3.49Å; E418-S420 VanDerWaalsContact C-N 3.3Å; E418-S420 PolarHBondContact O-N 2.69Å; S420-Q422 PolarHBondContact O-N 3.3Å; S420-K423 PolarHBondContact O-N 2.9Å
421	E	58.1	Low	79.2	Confident	68 Å²	68	67.5 Å²	67.5	32%	0.318	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-52.3	-29.3	177.3	-65.8	-178.9	-156.5	0	0	113.6	L412 G419 K423 R506 V508 H509	L412-E421 HydrophobicContact CD2-CB 3.85Å; L412-E421 HydrophobicContact CD2-CG 4.13Å; G419-E421 PolarHBondContact O-N 2.9Å; E421-K423 PolarHBondContact O-N 3.22Å; E421-R506 WeakPolarHBondContact OE2-CD 3.44Å; E421-R506 IonicContact OE2-NE 3.61Å; E421-R506 PolarHBondContact OE2-NE 3.3Å; E421-R506 VanDerWaalsContact OE2-NE 3.15Å; E421-V508 WeakPolarHBondContact OE1-CG1 3.44Å; E421-H509 IonicContact OE1-NE2 3.41Å
422	Q	56.4	Low	79.3	Confident	188 Å²	188	68.4 Å²	68.4	88%	0.879	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-74.1	-5.8	179.9	-65.3	-175.6	-6.5	0	0	114	S420	S420-Q422 PolarHBondContact O-N 3.3Å
423	K	61.7	Low	79.5	Confident	191 Å²	191	69.7 Å²	69.7	83%	0.83	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-119.2	4.8	-173	-61.1	-175.1	-178.9	179.9	0	114	S420 E421	S420-K423 PolarHBondContact O-N 2.9Å; E421-K423 PolarHBondContact O-N 3.22Å
424	V	73.4	Confident	79.9	Confident	40 Å²	40	69.2 Å²	69.2	24%	0.242	39%	0.392	C	S	.	.			trans	-119.3	133.9	-175.6	-176.3	0	0	0	0	108.9	L412 M415	L412-V424 HydrophobicContact CD1-CB 3.95Å; L412-V424 HydrophobicContact CD1-CG1 4.05Å; L412-V424 VanDerWaalsContact CD1-O 3.23Å; L412-V424 WeakPolarHBondContact CD1-O 3.15Å; M415-V424 HydrophobicContact CG-CG2 3.65Å
425	D	83.6	Confident	80.5	Confident	142 Å²	142	66.1 Å²	66.1	76%	0.759	38%	0.375	S	S	*	.			trans	-79.4	142	175.4	-67	-42	0	0	0	110.6
426	P	89.8	Confident	81.5	Confident	62 Å²	62	64 Å²	64	40%	0.403	37%	0.365	S	S	.	.			trans	-59.1	142.1	172.1	-21.9	32.8	0	0	0	111.8	L410 V504	L410-P426 HydrophobicContact CD2-CB 4.44Å; P426-V504 HydrophobicContact CB-CG1 3.98Å; P426-V504 HydrophobicContact CB-CG2 3.92Å; P426-V504 HydrophobicContact CG-CG1 3.99Å; P426-V504 HydrophobicContact CG-CG2 3.69Å
427	A	92.1	Very high	82.8	Confident	35 Å²	35	62 Å²	62	29%	0.289	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.2	176.3	0	0	0	0	0	111.1	V72 V411	V72-A427 HydrophobicContact CG1-CB 3.94Å; V411-A427 PolarHBondContact N-O 3.31Å; V411-A427 PolarHBondContact O-N 3.13Å
428	L	95	Very high	84.3	Confident	100 Å²	100	58 Å²	58	52%	0.524	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.5	172.4	-69.9	169.9	0	0	0	110.2	Q408 L410	Q408-L428 HydrophobicContact CB-CB 4.49Å; Q408-L428 HydrophobicContact CB-CD2 4.04Å; L410-L428 HydrophobicContact CD2-CD2 3.67Å; L410-L428 HydrophobicContact CD2-CG 4.33Å; L410-L428 HydrophobicContact CG-CD2 4.37Å
429	F	96.6	Very high	85.9	Confident	15 Å²	15	52 Å²	52	7%	0.066	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-77	157.1	167.1	-155.4	-118.9	0	0	0	110.5	V72 L74 Q408 G409 V411 L432 N479	V72-F429 HydrophobicContact CB-CD2 4.41Å; L74-F429 HydrophobicContact CD2-CE1 3.8Å; L74-F429 HydrophobicContact CD2-CZ 3.9Å; Q408-F429 VanDerWaalsContact CB-O 3.29Å; Q408-F429 WeakPolarHBondContact CB-O 3.44Å; Q408-F429 VanDerWaalsContact CG-O 3.26Å; Q408-F429 WeakPolarHBondContact CG-O 3.34Å; Q408-F429 PolarHBondContact NE2-O 2.68Å; G409-F429 PolarHBondContact O-N 3.1Å; V411-F429 HydrophobicContact CG2-CB 3.94Å; V411-F429 HydrophobicContact CG2-CD2 4.07Å; V411-F429 HydrophobicContact CG2-CG 4.22Å; F429-L432 HydrophobicContact CD1-CD1 3.76Å; F429-L432 HydrophobicContact CE1-CD1 3.5Å; F429-L432 VanDerWaalsContact CE1-CD1 3.5Å; F429-N479 HydrophobicContact CE2-CB 3.74Å; F429-N479 HydrophobicContact CZ-CB 3.85Å
430	P	96.7	Very high	87.7	Confident	38 Å²	38	49.4 Å²	49.4	25%	0.247	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-55.2	147.5	173.1	-28.6	38.3	0	0	0	112.4	V72 L74 L432	V72-P430 VanDerWaalsContact O-CD 3.3Å; V72-P430 WeakPolarHBondContact O-CD 3.29Å; L74-P430 HydrophobicContact CD1-CB 4.41Å; L74-P430 HydrophobicContact CG-CB 4.32Å; L74-P430 HydrophobicContact CG-CG 4.25Å; P430-L432 PolarHBondContact O-N 3.29Å
431	P	96.8	Very high	89.6	Confident	61 Å²	61	49 Å²	49	40%	0.396	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-71.4	128.7	179.8	29	-33.8	0	0	0	110.9	Y406 G407 Q408	Y406-P431 HydrophobicContact CE1-CB 4.25Å; G407-P431 WeakPolarHBondContact O-CA 3.46Å; Q408-P431 HydrophobicContact CG-CB 3.78Å; Q408-P431 HydrophobicContact CG-CG 4.38Å
432	L	96.3	Very high	91.2	Very high	24 Å²	24	46 Å²	46	13%	0.126	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.2	-174	-68.4	157.1	0	0	0	111.5	L74 Y406 G407 F429 P430 L477	L74-L432 HydrophobicContact CD1-CD2 3.94Å; L74-L432 HydrophobicContact CD2-CD1 3.52Å; L74-L432 HydrophobicContact CD2-CD2 4.01Å; L74-L432 HydrophobicContact CD2-CG 4.27Å; Y406-L432 WeakPolarHBondContact CA-O 3.45Å; G407-L432 PolarHBondContact N-O 3.44Å; G407-L432 PolarHBondContact O-N 3.4Å; G407-L432 VanDerWaalsContact O-N 3.1Å; F429-L432 HydrophobicContact CD1-CD1 3.76Å; F429-L432 HydrophobicContact CE1-CD1 3.5Å; F429-L432 VanDerWaalsContact CE1-CD1 3.5Å; P430-L432 PolarHBondContact O-N 3.29Å; L432-L477 HydrophobicContact CB-CD2 3.89Å; L432-L477 HydrophobicContact CD1-CD2 3.8Å; L432-L477 HydrophobicContact CG-CD2 4.46Å
433	P	98.1	Very high	92.6	Very high	40 Å²	40	41.8 Å²	41.8	26%	0.26	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	153.1	168.8	34.3	-33.9	0	0	0	111.7	Y404 F405 Y406	Y404-P433 HydrophobicContact CE2-CB 4.02Å; Y404-P433 VanDerWaalsContact OH-CB 3.29Å; Y404-P433 WeakPolarHBondContact OH-CB 3.3Å; F405-P433 CarbonylContact O-C 3.52Å; F405-P433 VanDerWaalsContact O-CA 3.28Å; F405-P433 WeakPolarHBondContact O-CA 3.49Å; Y406-P433 HydrophobicContact CD2-CB 4.15Å
434	L	98.8	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	118	166.6	179.7	59	0	0	0	109.8	Y404 F405 T436 H473 W474 L477 Q488 L490	Y404-L434 WeakPolarHBondContact CA-O 3.41Å; F405-L434 HydrophobicContact CB-CB 4.43Å; F405-L434 PolarHBondContact N-O 3.38Å; F405-L434 PolarHBondContact O-N 3.49Å; L434-T436 HydrophobicContact CD1-CG2 4.38Å; L434-T436 HydrophobicContact CD2-CG2 3.77Å; L434-T436 HydrophobicContact CG-CG2 3.69Å; L434-H473 HydrophobicContact CD1-CB 4.03Å; L434-W474 HydrophobicContact CD1-CD2 4.13Å; L434-W474 HydrophobicContact CD1-CG 4.11Å; L434-W474 HydrophobicContact CD2-CZ2 4.33Å; L434-L477 HydrophobicContact CD1-CD1 3.97Å; L434-L477 HydrophobicContact CD2-CD1 4.25Å; L434-Q488 HydrophobicContact CD2-CB 3.48Å; L434-Q488 VanDerWaalsContact CD2-CB 3.48Å; L434-Q488 HydrophobicContact CD2-CG 3.8Å; L434-L490 HydrophobicContact CB-CD1 3.81Å; L434-L490 HydrophobicContact CD2-CD1 4.47Å
435	F	98.8	Very high	94.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.1	167.1	-177.6	-105.6	0	0	0	108.3	Y99 I402 G403 Y404 L466 E469 A470	Y99-F435 HydrophobicContact CD1-CE2 4.09Å; Y99-F435 AromaticContact CE1-CE2 3.6Å; Y99-F435 HydrophobicContact CE1-CE2 3.6Å; Y99-F435 HydrophobicContact CE1-CZ 4.32Å; Y99-F435 AromaticContact CZ-CE2 3.97Å; I402-F435 HydrophobicContact CG2-CD2 3.99Å; I402-F435 HydrophobicContact CG2-CE1 4Å; I402-F435 HydrophobicContact CG2-CE2 3.4Å; I402-F435 VanDerWaalsContact CG2-CE2 3.4Å; I402-F435 HydrophobicContact CG2-CZ 3.42Å; I402-F435 VanDerWaalsContact CG2-CZ 3.42Å; G403-F435 WeakPolarHBondContact O-CA 3.33Å; Y404-F435 HydrophobicContact CD2-CB 4.26Å; Y404-F435 HydrophobicContact CD2-CD2 4.35Å; F435-L466 HydrophobicContact CE1-CD2 4.25Å; F435-L466 HydrophobicContact CZ-CD2 4.12Å; F435-E469 HydrophobicContact CD1-CB 3.83Å; F435-E469 HydrophobicContact CE1-CB 4Å; F435-A470 HydrophobicContact CD1-CB 4.42Å; F435-A470 WeakPolarHBondContact O-CA 3.47Å
436	T	98.8	Very high	95.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	150.7	-169.6	-169.1	0	0	0	0	111.4	I402 G403 F405 L434 E452 W474	I402-T436 WeakPolarHBondContact CA-O 3.24Å; G403-T436 PolarHBondContact N-O 3.34Å; G403-T436 PolarHBondContact O-N 3.24Å; G403-T436 VanDerWaalsContact O-N 3.14Å; F405-T436 HydrophobicContact CD2-CG2 3.94Å; F405-T436 HydrophobicContact CE2-CG2 3.64Å; L434-T436 HydrophobicContact CD1-CG2 4.38Å; L434-T436 HydrophobicContact CD2-CG2 3.77Å; L434-T436 HydrophobicContact CG-CG2 3.69Å; T436-E452 PolarHBondContact OG1-OE1 3.48Å; T436-E452 PolarHBondContact OG1-OE2 3.38Å; T436-W474 PolarHBondContact OG1-NE1 3.46Å
437	A	98.5	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.			trans	-69.9	163.9	162.1	0	0	0	0	0	110.7	L398 I402 E452 H455	L398-A437 HydrophobicContact CD1-CB 3.96Å; I402-A437 HydrophobicContact CG1-CB 4.17Å; A437-E452 PolarHBondContact N-OE1 3.1Å; A437-E452 PolarHBondContact N-OE2 3.22Å; A437-E452 VanDerWaalsContact O-OE2 3.13Å; A437-H455 HydrophobicContact CB-CB 3.89Å; A437-H455 WeakPolarHBondContact CB-ND1 3.38Å
438	V	98.6	Very high	96	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.03	12%	0.124	C	C	.	.			trans	-126.2	142.5	178.2	-53.1	0	0	0	0	110.5	P101 G401 F405 S440 F444	P101-V438 HydrophobicContact CB-CG2 3.82Å; P101-V438 HydrophobicContact CG-CG1 3.85Å; P101-V438 HydrophobicContact CG-CG2 4.03Å; G401-V438 WeakPolarHBondContact O-CG2 3.14Å; F405-V438 HydrophobicContact CE2-CG1 4.23Å; F405-V438 HydrophobicContact CZ-CG1 3.94Å; V438-S440 VanDerWaalsContact C-N 3.3Å; V438-S440 PolarHBondContact O-N 3.31Å; V438-F444 WeakPolarHBondContact CB-O 3.24Å
439	P	98.1	Very high	96.2	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.1	C	C	.	.	S	Bend	trans	-61.5	-38.7	-177.2	-23.8	32.9	0	0	0	113.1	F444 F448 D451 F822 G824	P439-F444 HydrophobicContact CB-CB 4.17Å; P439-F444 WeakPolarHBondContact CD-O 3.44Å; P439-F444 HydrophobicContact CG-CB 4.25Å; P439-F448 HydrophobicContact CG-CB 4.11Å; P439-F448 HydrophobicContact CG-CD2 3.72Å; P439-F448 HydrophobicContact CG-CE2 4.48Å; P439-F448 HydrophobicContact CG-CG 4.14Å; P439-D451 HydrophobicContact CG-CB 3.93Å; P439-D451 VanDerWaalsContact CG-OD1 3.32Å; P439-D451 WeakPolarHBondContact CG-OD1 3.39Å; P439-F822 HydrophobicContact CB-CE2 3.72Å; P439-F822 HydrophobicContact CB-CZ 3.83Å; P439-G824 PolarHBondContact O-N 2.81Å; P439-G824 VanDerWaalsContact O-N 3.1Å
440	S	98	Very high	96.3	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.014	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-150	133.5	178.6	-178.7	0	0	0	0	111.8	V438 S442 F444 P821	V438-S440 VanDerWaalsContact C-N 3.3Å; V438-S440 PolarHBondContact O-N 3.31Å; S440-S442 PolarHBondContact O-N 3.38Å; S440-S442 PolarHBondContact OG-N 3.41Å; S440-S442 PolarHBondContact OG-OG 3.12Å; S440-S442 VanDerWaalsContact OG-OG 3.08Å; S440-F444 CarbonylContact O-C 3.56Å; S440-F444 WeakPolarHBondContact O-CA 3.24Å; S440-F444 PolarHBondContact O-N 3.48Å; S440-F444 VanDerWaalsContact O-N 3.15Å; S440-P821 WeakPolarHBondContact CA-O 3.45Å; S440-P821 WeakPolarHBondContact CB-O 3.45Å; S440-P821 PolarHBondContact OG-O 2.82Å
441	R	97.8	Very high	96.4	Very high	13 Å²	13	17.7 Å²	17.7	5%	0.049	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.5	172.7	-69.5	-179.4	60.3	-162.8	2.6	113	P101 H102 V103 Y104 P821	P101-R441 HydrophobicContact CB-CG 4.17Å; P101-R441 VanDerWaalsContact O-CB 3.3Å; P101-R441 WeakPolarHBondContact O-CB 3.24Å; P101-R441 VanDerWaalsContact O-CG 3.27Å; P101-R441 WeakPolarHBondContact O-CG 3.43Å; P101-R441 PolarHBondContact O-NE 2.94Å; H102-R441 PolarHBondContact ND1-O 3.48Å; V103-R441 PolarHBondContact O-NH2 3.05Å; Y104-R441 PolarHBondContact O-NH2 3.25Å; R441-P821 HydrophobicContact CB-CG 4.45Å
442	S	92	Very high	96.5	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.042	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-47.3	-173.8	59.2	0	0	0	0	114.2	H102 C137 S440 R820	H102-S442 PolarHBondContact CE1-O 3.34Å; H102-S442 VanDerWaalsContact CE1-O 3.3Å; C137-S442 WeakPolarHBondContact O-CA 3.26Å; C137-S442 VanDerWaalsContact O-CB 3.27Å; C137-S442 WeakPolarHBondContact O-CB 3.43Å; S440-S442 PolarHBondContact O-N 3.38Å; S440-S442 PolarHBondContact OG-N 3.41Å; S440-S442 PolarHBondContact OG-OG 3.12Å; S440-S442 VanDerWaalsContact OG-OG 3.08Å; S442-R820 PolarHBondContact OG-O 2.97Å
443	F	84.5	Confident	96.6	Very high	100 Å²	100	13.7 Å²	13.7	44%	0.439	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-33.8	-174.9	-96	-79	0	0	0	114.2	Q139 P445 R446 C819	Q139-F443 HydrophobicContact CB-CD2 3.92Å; Q139-F443 HydrophobicContact CB-CE2 3.44Å; Q139-F443 VanDerWaalsContact CB-CE2 3.44Å; Q139-F443 HydrophobicContact CB-CZ 4.34Å; Q139-F443 HydrophobicContact CG-CD2 4.25Å; Q139-F443 HydrophobicContact CG-CE2 3.54Å; Q139-F443 HydrophobicContact CG-CZ 4.48Å; F443-P445 WeakPolarHBondContact O-CD 3.48Å; F443-R446 PolarHBondContact O-NH1 3.06Å; F443-R446 VanDerWaalsContact O-NH1 3.09Å; F443-C819 HydrophobicContact CB-CB 4.24Å; F443-C819 HydrophobicContact CD2-CB 4.11Å; F443-C819 HydrophobicContact CG-CB 4.49Å
444	F	88.1	Confident	96.6	Very high	45 Å²	45	11.9 Å²	11.9	20%	0.197	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-125.6	55	-169.5	-58.9	-57.5	0	0	0	112.7	V438 P439 S440 R446 F448 C819	V438-F444 WeakPolarHBondContact CB-O 3.24Å; P439-F444 HydrophobicContact CB-CB 4.17Å; P439-F444 WeakPolarHBondContact CD-O 3.44Å; P439-F444 HydrophobicContact CG-CB 4.25Å; S440-F444 CarbonylContact O-C 3.56Å; S440-F444 WeakPolarHBondContact O-CA 3.24Å; S440-F444 PolarHBondContact O-N 3.48Å; S440-F444 VanDerWaalsContact O-N 3.15Å; F444-R446 PolarHBondContact O-N 3.33Å; F444-F448 HydrophobicContact CB-CD2 4.45Å; F444-F448 HydrophobicContact CB-CE2 3.78Å; F444-F448 HydrophobicContact CB-CZ 4.45Å; F444-F448 AromaticContact CD1-CE2 3.87Å; F444-F448 HydrophobicContact CD1-CE2 3.87Å; F444-F448 AromaticContact CD1-CZ 3.68Å; F444-F448 HydrophobicContact CD1-CZ 3.68Å; F444-F448 HydrophobicContact CE1-CZ 4.29Å; F444-F448 HydrophobicContact CG-CE2 4.09Å; F444-F448 HydrophobicContact CG-CZ 4.29Å; F444-C819 HydrophobicContact CE2-CB 4.4Å; F444-C819 VanDerWaalsContact CE2-SG 3.56Å
445	P	91.9	Very high	96.6	Very high	6 Å²	6	11.9 Å²	11.9	4%	0.039	5%	0.053	C	C	.	.			trans	-80.4	55.4	-176.4	36.7	-40.1	0	0	0	112.4	H102 F405 F443 R497	H102-P445 HydrophobicContact CB-CB 3.51Å; H102-P445 HydrophobicContact CB-CG 3.77Å; F405-P445 WeakPolarHBondContact CE1-O 3.25Å; F405-P445 WeakPolarHBondContact CZ-O 3.17Å; F443-P445 WeakPolarHBondContact O-CD 3.48Å; P445-R497 HydrophobicContact CG-CG 4.23Å
446	R	95.9	Very high	96.6	Very high	14 Å²	14	11.9 Å²	11.9	5%	0.053	5%	0.053	C	C	.	.	S	Bend	trans	-158.3	164.5	-173.9	59.8	-168.5	178.1	-87	2.3	110.4	F443 F444 F448 E487 V498	F443-R446 PolarHBondContact O-NH1 3.06Å; F443-R446 VanDerWaalsContact O-NH1 3.09Å; F444-R446 PolarHBondContact O-N 3.33Å; R446-F448 HydrophobicContact CG-CD2 4.17Å; R446-F448 HydrophobicContact CG-CE2 3.56Å; R446-F448 HydrophobicContact CG-CZ 4.4Å; R446-F448 WeakPolarHBondContact O-CD2 3.49Å; R446-E487 IonicContact CZ-OE1 3.68Å; R446-E487 IonicContact NE-OE1 3.29Å; R446-E487 PolarHBondContact NE-OE1 3.21Å; R446-E487 IonicContact NH2-OE1 2.93Å; R446-E487 PolarHBondContact NH2-OE1 3.34Å; R446-V498 VanDerWaalsContact CZ-CG2 3.41Å
447	G	98.1	Very high	96.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131	-178.9	0	0	0	0	0	112.5	Q488	G447-Q488 PolarHBondContact O-N 2.87Å
448	F	98.6	Very high	96.7	Very high	22 Å²	22	12.4 Å²	12.4	10%	0.096	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.3	169.4	-77.7	-101.3	0	0	0	109.4	P439 F444 R446 W450 D451 E452 R486 E487	P439-F448 HydrophobicContact CG-CB 4.11Å; P439-F448 HydrophobicContact CG-CD2 3.72Å; P439-F448 HydrophobicContact CG-CE2 4.48Å; P439-F448 HydrophobicContact CG-CG 4.14Å; F444-F448 HydrophobicContact CB-CD2 4.45Å; F444-F448 HydrophobicContact CB-CE2 3.78Å; F444-F448 HydrophobicContact CB-CZ 4.45Å; F444-F448 AromaticContact CD1-CE2 3.87Å; F444-F448 HydrophobicContact CD1-CE2 3.87Å; F444-F448 AromaticContact CD1-CZ 3.68Å; F444-F448 HydrophobicContact CD1-CZ 3.68Å; F444-F448 HydrophobicContact CE1-CZ 4.29Å; F444-F448 HydrophobicContact CG-CE2 4.09Å; F444-F448 HydrophobicContact CG-CZ 4.29Å; R446-F448 HydrophobicContact CG-CD2 4.17Å; R446-F448 HydrophobicContact CG-CE2 3.56Å; R446-F448 HydrophobicContact CG-CZ 4.4Å; R446-F448 WeakPolarHBondContact O-CD2 3.49Å; F448-W450 PolarHBondContact O-N 2.9Å; F448-D451 HydrophobicContact CB-CB 3.95Å; F448-D451 WeakPolarHBondContact CB-OD2 3.43Å; F448-D451 PolarHBondContact O-N 2.88Å; F448-E452 PolarHBondContact O-N 2.82Å; F448-E452 VanDerWaalsContact O-N 3.11Å; F448-R486 WeakPolarHBondContact CA-O 3.29Å; F448-E487 HydrophobicContact CD1-CB 4.37Å; F448-E487 HydrophobicContact CD1-CG 4.21Å; F448-E487 HydrophobicContact CE1-CB 4.2Å; F448-E487 HydrophobicContact CE1-CG 3.69Å; F448-E487 HydrophobicContact CE2-CG 4.2Å; F448-E487 VanDerWaalsContact CZ-CD 3.49Å; F448-E487 HydrophobicContact CZ-CG 3.69Å; F448-E487 VanDerWaalsContact CZ-OE1 3.27Å; F448-E487 WeakPolarHBondContact CZ-OE1 3.5Å
449	L	98.8	Very high	96.7	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-50.3	-164.9	178.4	58.6	0	0	0	112.5	W474 I484 R486 N511 L515 W544	L449-W474 VanDerWaalsContact CA-CH2 3.5Å; L449-W474 HydrophobicContact CB-CH2 4.09Å; L449-W474 HydrophobicContact CB-CZ3 3.76Å; L449-W474 HydrophobicContact CD1-CD2 4.34Å; L449-W474 HydrophobicContact CD1-CE3 3.55Å; L449-W474 HydrophobicContact CD1-CZ3 3.65Å; L449-W474 HydrophobicContact CG-CZ3 4.29Å; L449-I484 HydrophobicContact CD1-CG2 4.17Å; L449-I484 HydrophobicContact CD2-CB 4.15Å; L449-I484 HydrophobicContact CD2-CG2 4.19Å; L449-R486 PolarHBondContact N-O 3.33Å; L449-N511 HydrophobicContact CB-CB 4.46Å; L449-N511 HydrophobicContact CD2-CB 4.1Å; L449-L515 HydrophobicContact CD1-CD1 3.64Å; L449-L515 HydrophobicContact CD1-CG 4.12Å; L449-W544 HydrophobicContact CD1-CZ2 4.23Å; L449-W544 HydrophobicContact CD2-CZ2 4.12Å; L449-W544 HydrophobicContact CG-CZ2 4.39Å
450	W	98.6	Very high	96.7	Very high	20 Å²	20	12.6 Å²	12.6	8%	0.076	6%	0.057	C	C	.	.	H	α-helix	trans	-77.7	-26.9	-178	82.6	-53.9	0	0	0	113.9	F448 E452 F454 N511 P512 T514 G581 W750 N757 W825	F448-W450 PolarHBondContact O-N 2.9Å; W450-E452 VanDerWaalsContact C-N 3.3Å; W450-F454 HydrophobicContact CE3-CE2 4.03Å; W450-F454 HydrophobicContact CZ3-CE2 4.22Å; W450-F454 WeakPolarHBondContact O-CD2 3.44Å; W450-N511 VanDerWaalsContact CB-OD1 3.29Å; W450-N511 WeakPolarHBondContact CB-OD1 3.27Å; W450-N511 PolarHBondContact N-OD1 3.48Å; W450-P512 HydrophobicContact CB-CB 4.07Å; W450-P512 HydrophobicContact CB-CG 4.34Å; W450-P512 HydrophobicContact CE3-CB 4.39Å; W450-P512 HydrophobicContact CE3-CG 4.16Å; W450-T514 VanDerWaalsContact C-OG1 3.24Å; W450-T514 VanDerWaalsContact CA-OG1 3.22Å; W450-T514 WeakPolarHBondContact CA-OG1 3.4Å; W450-T514 HydrophobicContact CB-CG2 4.16Å; W450-T514 WeakPolarHBondContact O-CB 3.43Å; W450-T514 PolarHBondContact O-OG1 2.7Å; W450-G581 WeakPolarHBondContact CH2-O 3.44Å; W450-G581 VanDerWaalsContact CZ2-O 3.24Å; W450-G581 WeakPolarHBondContact CZ2-O 3.34Å; W450-W750 AromaticContact CH2-CH2 3.97Å; W450-W750 HydrophobicContact CH2-CH2 3.97Å; W450-W750 AromaticContact CH2-CZ2 3.95Å; W450-W750 HydrophobicContact CH2-CZ2 3.95Å; W450-W750 HydrophobicContact CZ2-CZ2 4.25Å; W450-N757 VanDerWaalsContact CH2-ND2 3.26Å; W450-N757 WeakPolarHBondContact CH2-ND2 3.35Å; W450-N757 WeakPolarHBondContact CZ3-ND2 3.3Å; W450-W825 HydrophobicContact CD2-CZ3 4.3Å; W450-W825 AromaticContact CE2-CH2 3.98Å; W450-W825 AromaticContact CE2-CZ3 3.55Å; W450-W825 AromaticContact CH2-CH2 3.73Å; W450-W825 HydrophobicContact CH2-CH2 3.73Å; W450-W825 AromaticContact CH2-CZ3 3.7Å; W450-W825 HydrophobicContact CH2-CZ3 3.7Å; W450-W825 HydrophobicContact CZ2-CE3 4.44Å; W450-W825 AromaticContact CZ2-CH2 3.25Å; W450-W825 HydrophobicContact CZ2-CH2 3.25Å; W450-W825 HydrophobicContact CZ2-CZ2 4.44Å; W450-W825 AromaticContact CZ2-CZ3 3.24Å; W450-W825 HydrophobicContact CZ2-CZ3 3.24Å; W450-W825 HydrophobicContact CZ3-CZ3 4.36Å; W450-W825 AromaticContact NE1-CZ3 3.96Å
451	D	98.8	Very high	96.7	Very high	7 Å²	7	15.1 Å²	15.1	4%	0.037	7%	0.066	C	C	.	.	H	α-helix	trans	-63.3	-40.6	173	-61.9	-117.6	0	0	0	110.5	P439 F448 G453 F454 H455 W825	P439-D451 HydrophobicContact CG-CB 3.93Å; P439-D451 VanDerWaalsContact CG-OD1 3.32Å; P439-D451 WeakPolarHBondContact CG-OD1 3.39Å; F448-D451 HydrophobicContact CB-CB 3.95Å; F448-D451 WeakPolarHBondContact CB-OD2 3.43Å; F448-D451 PolarHBondContact O-N 2.88Å; D451-G453 VanDerWaalsContact C-N 3.3Å; D451-G453 PolarHBondContact O-N 2.78Å; D451-F454 WeakPolarHBondContact O-CB 3.21Å; D451-F454 PolarHBondContact O-N 3.25Å; D451-H455 PolarHBondContact O-CD2 3.4Å; D451-H455 PolarHBondContact O-N 2.97Å; D451-W825 HydrophobicContact CB-CE3 4.41Å; D451-W825 HydrophobicContact CB-CZ3 4.42Å; D451-W825 WeakPolarHBondContact OD1-CZ3 3.09Å
452	E	98.9	Very high	96.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-33.7	-173.5	-166.1	71.1	-175.5	0	0	113.2	T436 A437 F448 W450 F454 H455 Q456 W474 L515	T436-E452 PolarHBondContact OG1-OE1 3.48Å; T436-E452 PolarHBondContact OG1-OE2 3.38Å; A437-E452 PolarHBondContact N-OE1 3.1Å; A437-E452 PolarHBondContact N-OE2 3.22Å; A437-E452 VanDerWaalsContact O-OE2 3.13Å; F448-E452 PolarHBondContact O-N 2.82Å; F448-E452 VanDerWaalsContact O-N 3.11Å; W450-E452 VanDerWaalsContact C-N 3.3Å; E452-F454 VanDerWaalsContact C-N 3.26Å; E452-F454 PolarHBondContact O-N 2.76Å; E452-H455 WeakPolarHBondContact O-CB 3.09Å; E452-H455 PolarHBondContact O-N 3.15Å; E452-H455 VanDerWaalsContact O-N 3.16Å; E452-H455 IonicContact OE2-CE1 2.73Å; E452-H455 IonicContact OE2-CG 3.55Å; E452-H455 IonicContact OE2-ND1 3.52Å; E452-H455 PolarHBondContact OE2-ND1 2.82Å; E452-Q456 HydrophobicContact CG-CG 4.06Å; E452-Q456 WeakPolarHBondContact O-CB 3.31Å; E452-Q456 VanDerWaalsContact O-CG 3.29Å; E452-Q456 WeakPolarHBondContact O-CG 3.01Å; E452-Q456 PolarHBondContact O-N 2.93Å; E452-Q456 PolarHBondContact OE1-NE2 2.87Å; E452-W474 HydrophobicContact CB-CZ2 4.16Å; E452-W474 HydrophobicContact CG-CZ2 4.49Å; E452-L515 HydrophobicContact CB-CD2 3.94Å; E452-L515 HydrophobicContact CG-CD2 4.11Å
453	G	98.9	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59	-39.5	174	0	0	0	0	0	112.6	D451 L457 T514	D451-G453 VanDerWaalsContact C-N 3.3Å; D451-G453 PolarHBondContact O-N 2.78Å; G453-L457 WeakPolarHBondContact O-CG 3.21Å; G453-L457 PolarHBondContact O-N 2.86Å; G453-T514 WeakPolarHBondContact CA-O 3.43Å; G453-T514 WeakPolarHBondContact CA-OG1 3.25Å; G453-T514 PolarHBondContact N-OG1 3.13Å
454	F	98.9	Very high	97.8	Very high	2 Å²	2	13 Å²	13	1%	0.009	6%	0.062	C	C	.	.	H	α-helix	trans	-73.3	-34.7	175.6	-66.8	-66.4	0	0	0	112.8	W450 D451 E452 Q456 L457 T514 L517 N757 L761 W825 L828	W450-F454 HydrophobicContact CE3-CE2 4.03Å; W450-F454 HydrophobicContact CZ3-CE2 4.22Å; W450-F454 WeakPolarHBondContact O-CD2 3.44Å; D451-F454 WeakPolarHBondContact O-CB 3.21Å; D451-F454 PolarHBondContact O-N 3.25Å; E452-F454 VanDerWaalsContact C-N 3.26Å; E452-F454 PolarHBondContact O-N 2.76Å; F454-Q456 VanDerWaalsContact C-N 3.34Å; F454-L457 HydrophobicContact CD1-CD1 4.26Å; F454-T514 HydrophobicContact CD2-CG2 4.33Å; F454-T514 HydrophobicContact CE2-CG2 3.72Å; F454-T514 HydrophobicContact CZ-CG2 4.08Å; F454-L517 HydrophobicContact CD1-CD1 4.36Å; F454-L517 HydrophobicContact CE1-CD1 3.97Å; F454-L517 HydrophobicContact CZ-CD1 4.4Å; F454-N757 HydrophobicContact CD1-CB 4.2Å; F454-N757 HydrophobicContact CD2-CB 3.98Å; F454-N757 HydrophobicContact CE1-CB 4.04Å; F454-N757 HydrophobicContact CE2-CB 3.81Å; F454-N757 HydrophobicContact CG-CB 4.17Å; F454-N757 HydrophobicContact CZ-CB 3.85Å; F454-L761 HydrophobicContact CE1-CD1 4.15Å; F454-L761 HydrophobicContact CE1-CD2 4.19Å; F454-L761 HydrophobicContact CE1-CG 4.07Å; F454-L761 HydrophobicContact CZ-CD1 4.07Å; F454-L761 HydrophobicContact CZ-CG 4.49Å; F454-W825 HydrophobicContact CB-CB 3.84Å; F454-W825 HydrophobicContact CD2-CE3 4.23Å; F454-W825 HydrophobicContact CG-CB 4.29Å; F454-L828 HydrophobicContact CB-CD1 4.06Å; F454-L828 HydrophobicContact CD1-CD1 3.75Å; F454-L828 HydrophobicContact CG-CD1 4.19Å
455	H	98.9	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.1	-48	172.8	-58.4	159	0	0	0	110.6	L398 A437 D451 E452 L457 V458 V459 G824	L398-H455 HydrophobicContact CD1-CB 4.02Å; A437-H455 HydrophobicContact CB-CB 3.89Å; A437-H455 WeakPolarHBondContact CB-ND1 3.38Å; D451-H455 PolarHBondContact O-CD2 3.4Å; D451-H455 PolarHBondContact O-N 2.97Å; E452-H455 WeakPolarHBondContact O-CB 3.09Å; E452-H455 PolarHBondContact O-N 3.15Å; E452-H455 VanDerWaalsContact O-N 3.16Å; E452-H455 IonicContact OE2-CE1 2.73Å; E452-H455 IonicContact OE2-CG 3.55Å; E452-H455 IonicContact OE2-ND1 3.52Å; E452-H455 PolarHBondContact OE2-ND1 2.82Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-L457 PolarHBondContact O-N 3.16Å; H455-V458 PolarHBondContact O-N 3.13Å; H455-V459 WeakPolarHBondContact O-CG2 3.43Å; H455-V459 PolarHBondContact O-N 2.87Å; H455-G824 VanDerWaalsContact CD2-C 3.47Å; H455-G824 WeakPolarHBondContact NE2-CA 3.27Å
456	Q	98.9	Very high	98.5	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	6%	0.064	C	C	.	.	H	α-helix	trans	-71	-25.3	-173.8	-65.9	-51.8	-35.5	0	0	113.5	E452 F454 V458 V459 Q460 T467 L471 P518	E452-Q456 HydrophobicContact CG-CG 4.06Å; E452-Q456 WeakPolarHBondContact O-CB 3.31Å; E452-Q456 VanDerWaalsContact O-CG 3.29Å; E452-Q456 WeakPolarHBondContact O-CG 3.01Å; E452-Q456 PolarHBondContact O-N 2.93Å; E452-Q456 PolarHBondContact OE1-NE2 2.87Å; F454-Q456 VanDerWaalsContact C-N 3.34Å; Q456-V458 PolarHBondContact O-N 3.3Å; Q456-V459 PolarHBondContact O-N 2.77Å; Q456-Q460 VanDerWaalsContact O-CB 3.31Å; Q456-Q460 WeakPolarHBondContact O-CB 3.49Å; Q456-Q460 VanDerWaalsContact O-CG 3.25Å; Q456-Q460 WeakPolarHBondContact O-CG 3.32Å; Q456-Q460 PolarHBondContact O-N 2.87Å; Q456-Q460 PolarHBondContact O-OE1 3.13Å; Q456-T467 HydrophobicContact CB-CG2 3.9Å; Q456-T467 HydrophobicContact CG-CG2 4.19Å; Q456-T467 VanDerWaalsContact OE1-CB 3.28Å; Q456-T467 PolarHBondContact OE1-OG1 3.04Å; Q456-L471 HydrophobicContact CG-CD2 4.43Å; Q456-P518 HydrophobicContact CB-CB 4.09Å; Q456-P518 HydrophobicContact CB-CG 4Å
457	L	98.9	Very high	98.7	Very high	11 Å²	11	11.9 Å²	11.9	6%	0.058	6%	0.062	C	C	.	.	H	α-helix	trans	-56.8	-34.8	168.3	-75.8	173.4	0	0	0	112.7	G453 F454 H455 R461 L517 Y760 L828 L831	G453-L457 WeakPolarHBondContact O-CG 3.21Å; G453-L457 PolarHBondContact O-N 2.86Å; F454-L457 HydrophobicContact CD1-CD1 4.26Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-L457 PolarHBondContact O-N 3.16Å; L457-R461 WeakPolarHBondContact O-CG 3.36Å; L457-L517 HydrophobicContact CD1-CB 4.12Å; L457-L517 HydrophobicContact CD1-CD1 4.15Å; L457-L517 HydrophobicContact CD2-CB 4.1Å; L457-L517 HydrophobicContact CG-CB 4.25Å; L457-Y760 HydrophobicContact CD1-CE1 3.93Å; L457-L828 HydrophobicContact CB-CD2 4.26Å; L457-L828 HydrophobicContact CD1-CD2 4.49Å; L457-L831 HydrophobicContact CB-CD1 4.1Å; L457-L831 WeakPolarHBondContact O-CD1 3.5Å
458	V	98.9	Very high	98.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-82.2	-49.8	176.4	-175.5	0	0	0	0	110.7	L395 L398 H455 Q456 Q460 R461 L828 L830 L831	L395-V458 HydrophobicContact CD1-CG1 4.1Å; L398-V458 HydrophobicContact CD2-CB 3.66Å; L398-V458 HydrophobicContact CD2-CG1 3.84Å; L398-V458 HydrophobicContact CD2-CG2 4.22Å; H455-V458 PolarHBondContact O-N 3.13Å; Q456-V458 PolarHBondContact O-N 3.3Å; V458-Q460 VanDerWaalsContact C-N 3.33Å; V458-Q460 PolarHBondContact O-N 3.19Å; V458-R461 PolarHBondContact O-N 3.16Å; V458-L828 HydrophobicContact CG2-CD2 3.84Å; V458-L828 HydrophobicContact CG2-CG 4.41Å; V458-L830 HydrophobicContact CG1-CD2 4.21Å; V458-L831 HydrophobicContact CG2-CD1 3.97Å; V458-L831 HydrophobicContact CG2-CG 4.09Å
459	V	98.9	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.6	-42.7	-174.3	175.5	0	0	0	0	111.4	L398 L399 H455 Q456 R461 W462 D463 L466	L398-V459 HydrophobicContact CD2-CG2 3.94Å; L398-V459 HydrophobicContact CG-CG2 4.25Å; L399-V459 HydrophobicContact CD2-CG1 4.24Å; L399-V459 HydrophobicContact CD2-CG2 4.2Å; H455-V459 WeakPolarHBondContact O-CG2 3.43Å; H455-V459 PolarHBondContact O-N 2.87Å; Q456-V459 PolarHBondContact O-N 2.77Å; V459-R461 PolarHBondContact O-N 2.96Å; V459-W462 WeakPolarHBondContact O-CB 3.42Å; V459-W462 PolarHBondContact O-N 2.9Å; V459-D463 PolarHBondContact O-N 3.1Å; V459-L466 HydrophobicContact CG1-CB 3.71Å; V459-L466 HydrophobicContact CG1-CD1 4.28Å
460	Q	98.7	Very high	98.7	Very high	11 Å²	11	14 Å²	14	5%	0.051	7%	0.07	C	C	.	.	H	α-helix	trans	-64	-26.3	-176.6	76.3	-169.4	23.2	0	0	113.4	Q456 V458 W462 P464 T467 H521	Q456-Q460 VanDerWaalsContact O-CB 3.31Å; Q456-Q460 WeakPolarHBondContact O-CB 3.49Å; Q456-Q460 VanDerWaalsContact O-CG 3.25Å; Q456-Q460 WeakPolarHBondContact O-CG 3.32Å; Q456-Q460 PolarHBondContact O-N 2.87Å; Q456-Q460 PolarHBondContact O-OE1 3.13Å; V458-Q460 VanDerWaalsContact C-N 3.33Å; V458-Q460 PolarHBondContact O-N 3.19Å; Q460-W462 VanDerWaalsContact C-N 3.28Å; Q460-P464 WeakPolarHBondContact O-CD 3.44Å; Q460-P464 WeakPolarHBondContact O-CG 3.5Å; Q460-T467 VanDerWaalsContact CA-OG1 3.31Å; Q460-T467 WeakPolarHBondContact CA-OG1 3.5Å; Q460-T467 HydrophobicContact CB-CG2 4.13Å; Q460-T467 WeakPolarHBondContact CB-OG1 3.31Å; Q460-T467 PolarHBondContact N-OG1 2.73Å; Q460-H521 PolarHBondContact NE2-CD2 3.47Å
461	R	98.6	Very high	98.7	Very high	54 Å²	54	13.3 Å²	13.3	20%	0.204	7%	0.068	C	C	.	.	H	α-helix	trans	-70.5	-31.8	176.6	-54.4	-58.1	-177.4	131.6	-2.2	110.9	T375 F376 L457 V458 V459 H521 L831	T375-R461 WeakPolarHBondContact CG2-O 3.37Å; F376-R461 HydrophobicContact CE1-CB 3.89Å; F376-R461 HydrophobicContact CZ-CB 4.16Å; L457-R461 WeakPolarHBondContact O-CG 3.36Å; V458-R461 PolarHBondContact O-N 3.16Å; V459-R461 PolarHBondContact O-N 2.96Å; R461-H521 PolarHBondContact NH1-CE1 3.08Å; R461-H521 VanDerWaalsContact NH1-CE1 3.27Å; R461-H521 PolarHBondContact NH2-CE1 3.18Å; R461-H521 PolarHBondContact NH2-ND1 3.13Å; R461-L831 HydrophobicContact CG-CD2 3.9Å
462	W	98.8	Very high	98.7	Very high	8 Å²	8	13.1 Å²	13.1	3%	0.03	7%	0.068	C	C	.	.	H	α-helix	trans	-83.6	-52.6	176.6	178.8	-107.9	0	0	0	111.8	D152 F368 R371 F372 T375 F376 L395 L399 V459 Q460	D152-W462 HydrophobicContact CB-CZ2 4.09Å; D152-W462 PolarHBondContact O-NE1 2.89Å; F368-W462 AromaticContact CD2-CH2 3.88Å; F368-W462 HydrophobicContact CD2-CH2 3.88Å; F368-W462 AromaticContact CD2-CZ2 3.88Å; F368-W462 HydrophobicContact CD2-CZ2 3.88Å; F368-W462 AromaticContact CE2-CH2 3.88Å; F368-W462 HydrophobicContact CE2-CH2 3.88Å; F368-W462 AromaticContact CE2-CZ2 3.84Å; F368-W462 HydrophobicContact CE2-CZ2 3.84Å; F368-W462 HydrophobicContact CG-CH2 4.48Å; F368-W462 HydrophobicContact CZ-CH2 4.46Å; R371-W462 HydrophobicContact CB-CH2 3.73Å; R371-W462 HydrophobicContact CB-CZ3 3.94Å; R371-W462 HydrophobicContact CG-CE3 4.21Å; R371-W462 HydrophobicContact CG-CH2 3.53Å; R371-W462 HydrophobicContact CG-CZ2 4.27Å; R371-W462 HydrophobicContact CG-CZ3 3.47Å; R371-W462 VanDerWaalsContact CG-CZ3 3.47Å; R371-W462 PolarHBondContact NH2-O 3.16Å; F372-W462 HydrophobicContact CB-CZ3 4.27Å; T375-W462 HydrophobicContact CG2-CE3 4.49Å; F376-W462 HydrophobicContact CE2-CE3 4.17Å; L395-W462 HydrophobicContact CD1-CB 4.01Å; L395-W462 HydrophobicContact CD1-CG 4.29Å; L395-W462 HydrophobicContact CD2-CB 4.41Å; L395-W462 HydrophobicContact CD2-CD2 3.85Å; L395-W462 HydrophobicContact CD2-CE3 3.76Å; L395-W462 HydrophobicContact CD2-CG 4.16Å; L395-W462 HydrophobicContact CD2-CZ3 4.21Å; L399-W462 HydrophobicContact CD1-CG 4.28Å; V459-W462 WeakPolarHBondContact O-CB 3.42Å; V459-W462 PolarHBondContact O-N 2.9Å; Q460-W462 VanDerWaalsContact C-N 3.28Å
463	D	98.4	Very high	98.7	Very high	16 Å²	16	13.6 Å²	13.6	9%	0.086	7%	0.07	C	C	.	.			trans	-148	97	-174.1	-157.7	-49.8	0	0	0	111.9	L154 R371 V459 S465 L466	L154-D463 WeakPolarHBondContact CD1-OD2 3.49Å; R371-D463 IonicContact NH2-OD2 2.77Å; R371-D463 PolarHBondContact NH2-OD2 2.79Å; V459-D463 PolarHBondContact O-N 3.1Å; D463-S465 PolarHBondContact O-N 2.95Å; D463-S465 WeakPolarHBondContact OD1-CB 3.5Å; D463-S465 PolarHBondContact OD1-N 3.28Å; D463-S465 VanDerWaalsContact OD1-N 3.11Å; D463-S465 PolarHBondContact OD1-OG 2.92Å; D463-L466 HydrophobicContact CB-CB 4.38Å; D463-L466 HydrophobicContact CB-CD1 3.92Å; D463-L466 HydrophobicContact CB-CG 3.98Å; D463-L466 PolarHBondContact O-N 3.22Å
464	P	98.4	Very high	98.7	Very high	50 Å²	50	13.6 Å²	13.6	33%	0.325	7%	0.07	S	C	.	.	H	α-helix	trans	-57.8	-28.9	178.6	-26.5	34.4	0	0	0	113.8	Q460 L466 T467 R468	Q460-P464 WeakPolarHBondContact O-CD 3.44Å; Q460-P464 WeakPolarHBondContact O-CG 3.5Å; P464-L466 PolarHBondContact O-N 3.47Å; P464-T467 PolarHBondContact O-N 3.14Å; P464-R468 PolarHBondContact O-N 3.11Å
465	S	97.9	Very high	98.7	Very high	41 Å²	41	13.7 Å²	13.7	29%	0.287	7%	0.07	S	C	.	.	H	α-helix	trans	-66.3	-38.3	-179.2	78.5	0	0	0	0	112.1	D463 T467 R468 E469	D463-S465 PolarHBondContact O-N 2.95Å; D463-S465 WeakPolarHBondContact OD1-CB 3.5Å; D463-S465 PolarHBondContact OD1-N 3.28Å; D463-S465 VanDerWaalsContact OD1-N 3.11Å; D463-S465 PolarHBondContact OD1-OG 2.92Å; S465-T467 VanDerWaalsContact C-N 3.29Å; S465-T467 PolarHBondContact O-N 3.23Å; S465-R468 PolarHBondContact O-N 3.14Å; S465-E469 WeakPolarHBondContact O-CG 3.48Å; S465-E469 PolarHBondContact O-N 3.26Å
466	L	98.7	Very high	98.7	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-37.9	174.5	-67.7	-178.1	0	0	0	111.4	L94 L154 L399 I402 F435 V459 D463 P464 E469 A470	L94-L466 HydrophobicContact CD1-CD2 4.25Å; L94-L466 HydrophobicContact CD2-CD2 3.59Å; L154-L466 HydrophobicContact CD2-CD2 4.26Å; L399-L466 HydrophobicContact CD2-CD1 3.95Å; I402-L466 HydrophobicContact CD1-CD1 4.5Å; F435-L466 HydrophobicContact CE1-CD2 4.25Å; F435-L466 HydrophobicContact CZ-CD2 4.12Å; V459-L466 HydrophobicContact CG1-CB 3.71Å; V459-L466 HydrophobicContact CG1-CD1 4.28Å; D463-L466 HydrophobicContact CB-CB 4.38Å; D463-L466 HydrophobicContact CB-CD1 3.92Å; D463-L466 HydrophobicContact CB-CG 3.98Å; D463-L466 PolarHBondContact O-N 3.22Å; P464-L466 PolarHBondContact O-N 3.47Å; L466-E469 PolarHBondContact O-N 3.31Å; L466-A470 PolarHBondContact O-N 2.8Å
467	T	98.9	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.7	-42.8	177.1	-61.8	0	0	0	0	112.1	Q456 Q460 P464 S465 E469 A470 L471 M522	Q456-T467 HydrophobicContact CB-CG2 3.9Å; Q456-T467 HydrophobicContact CG-CG2 4.19Å; Q456-T467 VanDerWaalsContact OE1-CB 3.28Å; Q456-T467 PolarHBondContact OE1-OG1 3.04Å; Q460-T467 VanDerWaalsContact CA-OG1 3.31Å; Q460-T467 WeakPolarHBondContact CA-OG1 3.5Å; Q460-T467 HydrophobicContact CB-CG2 4.13Å; Q460-T467 WeakPolarHBondContact CB-OG1 3.31Å; Q460-T467 PolarHBondContact N-OG1 2.73Å; P464-T467 PolarHBondContact O-N 3.14Å; S465-T467 VanDerWaalsContact C-N 3.29Å; S465-T467 PolarHBondContact O-N 3.23Å; T467-E469 VanDerWaalsContact C-N 3.31Å; T467-E469 PolarHBondContact O-N 3.2Å; T467-A470 PolarHBondContact O-N 3.1Å; T467-L471 HydrophobicContact CG2-CD1 3.81Å; T467-L471 HydrophobicContact CG2-CG 3.97Å; T467-L471 WeakPolarHBondContact O-CB 3.4Å; T467-L471 WeakPolarHBondContact O-CG 3.35Å; T467-L471 PolarHBondContact O-N 3.47Å; T467-M522 HydrophobicContact CG2-CE 3.46Å; T467-M522 VanDerWaalsContact CG2-CE 3.46Å
468	R	98.8	Very high	98.7	Very high	46 Å²	46	14.5 Å²	14.5	17%	0.174	8%	0.081	C	C	.	.	H	α-helix	trans	-59.5	-41.7	173.7	-68.6	-172.5	-65.3	-99.7	12.4	111.9	P464 S465 G472 M522 D529 D530 F533	P464-R468 PolarHBondContact O-N 3.11Å; S465-R468 PolarHBondContact O-N 3.14Å; R468-G472 PolarHBondContact O-N 2.83Å; R468-M522 HydrophobicContact CG-CE 4.25Å; R468-D529 IonicContact NH2-OD2 2.78Å; R468-D530 WeakPolarHBondContact CD-OD1 3.3Å; R468-D530 IonicContact CZ-OD1 3.65Å; R468-D530 IonicContact NE-OD1 2.82Å; R468-D530 IonicContact NH1-OD1 3.24Å; R468-D530 PolarHBondContact NH1-OD1 3.19Å; R468-F533 HydrophobicContact CB-CD2 3.87Å; R468-F533 HydrophobicContact CB-CE2 4.04Å; R468-F533 HydrophobicContact CB-CG 4.19Å; R468-F533 HydrophobicContact CG-CB 4.13Å; R468-F533 HydrophobicContact CG-CD1 4.1Å; R468-F533 HydrophobicContact CG-CD2 4.05Å; R468-F533 HydrophobicContact CG-CG 3.83Å; R468-F533 WeakPolarHBondContact O-CE2 3.43Å
469	E	98.6	Very high	98.6	Very high	24 Å²	24	14.5 Å²	14.5	11%	0.112	8%	0.08	C	C	.	.	H	α-helix	trans	-60.8	-48.8	174.3	-76.1	-71.7	105.6	0	0	111.6	L94 R110 F435 S465 L466 T467 H473	L94-E469 HydrophobicContact CD1-CG 4.17Å; R110-E469 IonicContact CZ-OE2 3.16Å; R110-E469 IonicContact NH1-OE2 3.13Å; R110-E469 PolarHBondContact NH1-OE2 3.22Å; R110-E469 IonicContact NH2-OE2 3.81Å; F435-E469 HydrophobicContact CD1-CB 3.83Å; F435-E469 HydrophobicContact CE1-CB 4Å; S465-E469 WeakPolarHBondContact O-CG 3.48Å; S465-E469 PolarHBondContact O-N 3.26Å; L466-E469 PolarHBondContact O-N 3.31Å; T467-E469 VanDerWaalsContact C-N 3.31Å; T467-E469 PolarHBondContact O-N 3.2Å; E469-H473 PolarHBondContact O-N 3.19Å; E469-H473 VanDerWaalsContact O-N 3.07Å; E469-H473 PolarHBondContact O-ND1 3.11Å; E469-H473 IonicContact OE2-CE1 2.61Å
470	A	98.8	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-52.1	-179.2	0	0	0	0	0	112.2	F435 L466 T467 G472 H473 W474	F435-A470 HydrophobicContact CD1-CB 4.42Å; F435-A470 WeakPolarHBondContact O-CA 3.47Å; L466-A470 PolarHBondContact O-N 2.8Å; T467-A470 PolarHBondContact O-N 3.1Å; A470-G472 VanDerWaalsContact C-N 3.29Å; A470-G472 PolarHBondContact O-N 2.99Å; A470-H473 PolarHBondContact O-N 2.76Å; A470-W474 VanDerWaalsContact O-CD1 3.27Å; A470-W474 PolarHBondContact O-N 3.38Å
471	L	98.9	Very high	98.5	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-41	178.3	-66.5	-175.9	0	0	0	111.5	Q456 T467 H473 W474 L475 L515 P518 V519 M522 F533	Q456-L471 HydrophobicContact CG-CD2 4.43Å; T467-L471 HydrophobicContact CG2-CD1 3.81Å; T467-L471 HydrophobicContact CG2-CG 3.97Å; T467-L471 WeakPolarHBondContact O-CB 3.4Å; T467-L471 WeakPolarHBondContact O-CG 3.35Å; T467-L471 PolarHBondContact O-N 3.47Å; L471-H473 VanDerWaalsContact C-N 3.35Å; L471-H473 PolarHBondContact O-N 3.14Å; L471-W474 PolarHBondContact O-N 3.34Å; L471-L475 WeakPolarHBondContact O-CB 3.43Å; L471-L475 VanDerWaalsContact O-CG 3.32Å; L471-L475 WeakPolarHBondContact O-CG 3.25Å; L471-L475 PolarHBondContact O-N 2.98Å; L471-L515 HydrophobicContact CD2-CB 4.26Å; L471-L515 HydrophobicContact CD2-CD2 3.8Å; L471-L515 HydrophobicContact CD2-CG 4.44Å; L471-P518 HydrophobicContact CD1-CG 4.37Å; L471-P518 HydrophobicContact CD2-CG 4.32Å; L471-V519 HydrophobicContact CD1-CG2 4.3Å; L471-M522 HydrophobicContact CD1-CE 4.04Å; L471-M522 HydrophobicContact CD1-SD 4.23Å; L471-F533 HydrophobicContact CB-CE1 4.22Å; L471-F533 HydrophobicContact CB-CZ 3.79Å; L471-F533 HydrophobicContact CD1-CE1 4.37Å
472	G	98.8	Very high	98.5	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-41.5	176.8	0	0	0	0	0	112.9	R468 A470 G476	R468-G472 PolarHBondContact O-N 2.83Å; A470-G472 VanDerWaalsContact C-N 3.29Å; A470-G472 PolarHBondContact O-N 2.99Å; G472-G476 PolarHBondContact O-N 3.21Å
473	H	98.8	Very high	98.5	Very high	10 Å²	10	14.8 Å²	14.8	5%	0.046	9%	0.091	C	C	.	.	H	α-helix	trans	-67.3	-44.8	174.4	-77.5	83.6	0	0	0	112.1	L81 L434 E469 A470 L471 L475 G476 L477	L81-H473 VanDerWaalsContact CD1-CE1 3.48Å; L81-H473 WeakPolarHBondContact CD1-CE1 3.31Å; L81-H473 WeakPolarHBondContact CD1-ND1 3.32Å; L434-H473 HydrophobicContact CD1-CB 4.03Å; E469-H473 PolarHBondContact O-N 3.19Å; E469-H473 VanDerWaalsContact O-N 3.07Å; E469-H473 PolarHBondContact O-ND1 3.11Å; E469-H473 IonicContact OE2-CE1 2.61Å; A470-H473 PolarHBondContact O-N 2.76Å; L471-H473 VanDerWaalsContact C-N 3.35Å; L471-H473 PolarHBondContact O-N 3.14Å; H473-L475 PolarHBondContact O-N 3.32Å; H473-G476 WeakPolarHBondContact O-CA 3.36Å; H473-G476 PolarHBondContact O-N 3.14Å; H473-L477 PolarHBondContact O-N 3.41Å
474	W	98.9	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.3	-44.1	176.9	-84.5	98	0	0	0	112.4	L434 T436 L449 E452 A470 L471 G476 L477 I484 Q488 L515	L434-W474 HydrophobicContact CD1-CD2 4.13Å; L434-W474 HydrophobicContact CD1-CG 4.11Å; L434-W474 HydrophobicContact CD2-CZ2 4.33Å; T436-W474 PolarHBondContact OG1-NE1 3.46Å; L449-W474 VanDerWaalsContact CA-CH2 3.5Å; L449-W474 HydrophobicContact CB-CH2 4.09Å; L449-W474 HydrophobicContact CB-CZ3 3.76Å; L449-W474 HydrophobicContact CD1-CD2 4.34Å; L449-W474 HydrophobicContact CD1-CE3 3.55Å; L449-W474 HydrophobicContact CD1-CZ3 3.65Å; L449-W474 HydrophobicContact CG-CZ3 4.29Å; E452-W474 HydrophobicContact CB-CZ2 4.16Å; E452-W474 HydrophobicContact CG-CZ2 4.49Å; A470-W474 VanDerWaalsContact O-CD1 3.27Å; A470-W474 PolarHBondContact O-N 3.38Å; L471-W474 PolarHBondContact O-N 3.34Å; W474-G476 PolarHBondContact O-N 3.23Å; W474-L477 HydrophobicContact CE3-CD1 4.06Å; W474-L477 HydrophobicContact CZ3-CD1 4.46Å; W474-L477 WeakPolarHBondContact O-CB 3.42Å; W474-L477 PolarHBondContact O-N 3.04Å; W474-L477 VanDerWaalsContact O-N 3.1Å; W474-I484 HydrophobicContact CE3-CG2 3.95Å; W474-I484 HydrophobicContact CZ3-CG2 4.08Å; W474-Q488 HydrophobicContact CE3-CG 4.46Å; W474-Q488 HydrophobicContact CH2-CB 4.49Å; W474-Q488 HydrophobicContact CH2-CG 3.68Å; W474-Q488 HydrophobicContact CZ3-CG 3.61Å; W474-L515 HydrophobicContact CB-CD1 3.9Å; W474-L515 HydrophobicContact CG-CD1 4.24Å
475	L	98.8	Very high	98.5	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-68.2	-21.8	174.9	-66.6	175	0	0	0	113	V80 L471 H473 L477 L478 A537 R540 L541	V80-L475 HydrophobicContact CG2-CB 3.89Å; V80-L475 HydrophobicContact CG2-CD1 4Å; L471-L475 WeakPolarHBondContact O-CB 3.43Å; L471-L475 VanDerWaalsContact O-CG 3.32Å; L471-L475 WeakPolarHBondContact O-CG 3.25Å; L471-L475 PolarHBondContact O-N 2.98Å; H473-L475 PolarHBondContact O-N 3.32Å; L475-L477 PolarHBondContact O-N 3.44Å; L475-L478 HydrophobicContact CD2-CD1 4.42Å; L475-L478 WeakPolarHBondContact O-CD1 3.46Å; L475-A537 HydrophobicContact CD1-CB 3.78Å; L475-R540 HydrophobicContact CB-CB 4.3Å; L475-R540 HydrophobicContact CD2-CB 4.35Å; L475-R540 PolarHBondContact O-NH1 3.33Å; L475-L541 HydrophobicContact CD1-CD2 4.07Å; L475-L541 HydrophobicContact CD1-CG 3.95Å; L475-L541 HydrophobicContact CD2-CD2 3.87Å; L475-L541 HydrophobicContact CD2-CG 4.21Å
476	G	98.3	Very high	98.5	Very high	25 Å²	25	12.4 Å²	12.4	26%	0.258	7%	0.069	S	C	.	.	H	α-helix	trans	-66.1	-21.8	170.7	0	0	0	0	0	113.7	G472 H473 W474 L478	G472-G476 PolarHBondContact O-N 3.21Å; H473-G476 WeakPolarHBondContact O-CA 3.36Å; H473-G476 PolarHBondContact O-N 3.14Å; W474-G476 PolarHBondContact O-N 3.23Å; G476-L478 VanDerWaalsContact C-N 3.33Å; G476-L478 PolarHBondContact O-N 2.65Å
477	L	98.6	Very high	98.4	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.026	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.8	-177.5	-58.1	174.8	0	0	0	114.3	L432 L434 H473 W474 L475 N479 I484 Q488	L432-L477 HydrophobicContact CB-CD2 3.89Å; L432-L477 HydrophobicContact CD1-CD2 3.8Å; L432-L477 HydrophobicContact CG-CD2 4.46Å; L434-L477 HydrophobicContact CD1-CD1 3.97Å; L434-L477 HydrophobicContact CD2-CD1 4.25Å; H473-L477 PolarHBondContact O-N 3.41Å; W474-L477 HydrophobicContact CE3-CD1 4.06Å; W474-L477 HydrophobicContact CZ3-CD1 4.46Å; W474-L477 WeakPolarHBondContact O-CB 3.42Å; W474-L477 PolarHBondContact O-N 3.04Å; W474-L477 VanDerWaalsContact O-N 3.1Å; L475-L477 PolarHBondContact O-N 3.44Å; L477-N479 PolarHBondContact O-N 3.13Å; L477-I484 HydrophobicContact CB-CG2 4.26Å; L477-Q488 HydrophobicContact CD1-CG 3.82Å
478	L	98.5	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.			trans	-58	129.2	179.1	-75.8	163.9	0	0	0	111.1	H75 L475 G476 G482 W483 I484 R540 W544	H75-L478 HydrophobicContact CB-CB 3.71Å; H75-L478 PolarHBondContact N-O 2.95Å; L475-L478 HydrophobicContact CD2-CD1 4.42Å; L475-L478 WeakPolarHBondContact O-CD1 3.46Å; G476-L478 VanDerWaalsContact C-N 3.33Å; G476-L478 PolarHBondContact O-N 2.65Å; L478-G482 WeakPolarHBondContact CD2-O 3.46Å; L478-W483 WeakPolarHBondContact CA-O 3.46Å; L478-I484 HydrophobicContact CD2-CD1 3.83Å; L478-I484 HydrophobicContact CD2-CG1 3.46Å; L478-I484 VanDerWaalsContact CD2-CG1 3.46Å; L478-I484 HydrophobicContact CG-CD1 4Å; L478-I484 HydrophobicContact CG-CG1 3.85Å; L478-R540 HydrophobicContact CD1-CB 3.54Å; L478-R540 HydrophobicContact CD1-CG 3.84Å; L478-R540 WeakPolarHBondContact CD1-O 3.39Å; L478-W544 HydrophobicContact CD2-CB 3.78Å; L478-W544 HydrophobicContact CD2-CG 4.14Å
479	N	98.3	Very high	98.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-77.1	174.8	163.2	79.9	0	0	0	0	111.1	A71 T73 H75 F429 L477 D481 G482 W483	A71-N479 WeakPolarHBondContact CA-ND2 3.37Å; A71-N479 WeakPolarHBondContact O-CB 3.38Å; A71-N479 PolarHBondContact O-ND2 2.83Å; T73-N479 CarbonylContact O-C 3.29Å; T73-N479 VanDerWaalsContact O-C 3.29Å; T73-N479 WeakPolarHBondContact O-CA 3.22Å; T73-N479 WeakPolarHBondContact O-CB 3.38Å; H75-N479 WeakPolarHBondContact CB-O 3.29Å; H75-N479 PolarHBondContact CD2-O 2.81Å; F429-N479 HydrophobicContact CE2-CB 3.74Å; F429-N479 HydrophobicContact CZ-CB 3.85Å; L477-N479 PolarHBondContact O-N 3.13Å; N479-D481 PolarHBondContact O-N 2.56Å; N479-D481 VanDerWaalsContact O-N 3.1Å; N479-D481 WeakPolarHBondContact OD1-CA 3.31Å; N479-D481 WeakPolarHBondContact OD1-CB 3.09Å; N479-D481 PolarHBondContact OD1-N 2.93Å; N479-G482 PolarHBondContact O-N 3.28Å; N479-G482 PolarHBondContact OD1-N 3.4Å; N479-G482 VanDerWaalsContact OD1-N 3.16Å; N479-W483 PolarHBondContact N-O 2.62Å; N479-W483 WeakPolarHBondContact OD1-CB 3.27Å; N479-W483 PolarHBondContact OD1-N 3.36Å
480	A	98.1	Very high	98.2	Very high	31 Å²	31	11 Å²	11	26%	0.256	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.9	-177.8	0	0	0	0	0	114.2	R70 T73	R70-A480 HydrophobicContact CB-CB 4.02Å; R70-A480 HydrophobicContact CG-CB 4.31Å; R70-A480 PolarHBondContact O-N 3.35Å; T73-A480 HydrophobicContact CG2-CB 4.49Å; T73-A480 PolarHBondContact O-N 3.2Å
481	D	97.1	Very high	98	Very high	41 Å²	41	11.7 Å²	11.7	22%	0.219	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.9	173.7	-58	-46.6	0	0	0	112.8	R70 A71 N479 W547	R70-D481 WeakPolarHBondContact CB-OD1 3.48Å; R70-D481 IonicContact CZ-OD1 3.75Å; R70-D481 IonicContact NE-OD1 3.15Å; R70-D481 PolarHBondContact NE-OD1 3.38Å; R70-D481 IonicContact NH2-OD1 2.83Å; R70-D481 PolarHBondContact NH2-OD1 3.06Å; A71-D481 PolarHBondContact N-OD2 2.99Å; N479-D481 PolarHBondContact O-N 2.56Å; N479-D481 VanDerWaalsContact O-N 3.1Å; N479-D481 WeakPolarHBondContact OD1-CA 3.31Å; N479-D481 WeakPolarHBondContact OD1-CB 3.09Å; N479-D481 PolarHBondContact OD1-N 2.93Å; D481-W547 WeakPolarHBondContact O-CB 3.46Å
482	G	98.1	Very high	97.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	89.8	14.4	-170.9	0	0	0	0	0	113.8	L478 N479 W544 W547	L478-G482 WeakPolarHBondContact CD2-O 3.46Å; N479-G482 PolarHBondContact O-N 3.28Å; N479-G482 PolarHBondContact OD1-N 3.4Å; N479-G482 VanDerWaalsContact OD1-N 3.16Å; G482-W544 WeakPolarHBondContact O-CA 3.34Å; G482-W547 WeakPolarHBondContact O-CB 3.35Å
483	W	98.6	Very high	97.2	Very high	7 Å²	7	16.7 Å²	16.7	3%	0.027	10%	0.096	C	C	.	.			trans	-88.8	144.8	176.7	171.8	75.9	0	0	0	112.5	V411 L478 N479 Q505 R506 A507 H509 W547	V411-W483 HydrophobicContact CB-CZ3 4.46Å; V411-W483 HydrophobicContact CG1-CH2 3.91Å; V411-W483 HydrophobicContact CG1-CZ3 3.76Å; V411-W483 HydrophobicContact CG2-CH2 3.93Å; V411-W483 HydrophobicContact CG2-CZ3 3.8Å; L478-W483 WeakPolarHBondContact CA-O 3.46Å; N479-W483 PolarHBondContact N-O 2.62Å; N479-W483 WeakPolarHBondContact OD1-CB 3.27Å; N479-W483 PolarHBondContact OD1-N 3.36Å; W483-Q505 HydrophobicContact CH2-CB 3.79Å; W483-Q505 HydrophobicContact CZ2-CB 3.98Å; W483-R506 WeakPolarHBondContact CZ2-O 3.19Å; W483-A507 HydrophobicContact CD2-CB 4.28Å; W483-A507 HydrophobicContact CE3-CB 4.38Å; W483-H509 PolarHBondContact NE1-O 3.25Å; W483-W547 HydrophobicContact CB-CD2 4.06Å; W483-W547 HydrophobicContact CB-CG 4.43Å; W483-W547 HydrophobicContact CB-CZ2 4.06Å; W483-W547 AromaticContact CD1-CE2 3.89Å; W483-W547 AromaticContact CD1-CH2 3.43Å; W483-W547 VanDerWaalsContact CD1-CH2 3.43Å; W483-W547 AromaticContact CD1-CZ2 3.35Å; W483-W547 HydrophobicContact CG-CH2 4.42Å; W483-W547 HydrophobicContact CG-CZ2 4.03Å
484	I	98.8	Very high	96.9	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	10%	0.096	C	C	.	.			trans	-123.6	130.6	168.1	-57.8	173.8	0	0	0	108.1	L449 W474 L477 L478 R486 W544	L449-I484 HydrophobicContact CD1-CG2 4.17Å; L449-I484 HydrophobicContact CD2-CB 4.15Å; L449-I484 HydrophobicContact CD2-CG2 4.19Å; W474-I484 HydrophobicContact CE3-CG2 3.95Å; W474-I484 HydrophobicContact CZ3-CG2 4.08Å; L477-I484 HydrophobicContact CB-CG2 4.26Å; L478-I484 HydrophobicContact CD2-CD1 3.83Å; L478-I484 HydrophobicContact CD2-CG1 3.46Å; L478-I484 VanDerWaalsContact CD2-CG1 3.46Å; L478-I484 HydrophobicContact CG-CD1 4Å; L478-I484 HydrophobicContact CG-CG1 3.85Å; I484-R486 PolarHBondContact O-N 2.8Å; I484-W544 HydrophobicContact CD1-CG 4.27Å
485	G	98	Very high	96.7	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.031	11%	0.114	C	C	.	.			trans	-59.9	132	173.1	0	0	0	0	0	112.4	E487 Q488	G485-E487 PolarHBondContact O-N 3.45Å; G485-Q488 PolarHBondContact O-NE2 3.28Å
486	R	97.8	Very high	96.2	Very high	52 Å²	52	24 Å²	24	20%	0.196	14%	0.137	C	C	.	.	S	Bend	trans	-63.3	-28.5	-176.3	81.2	-178	-140.6	-47.3	-10.9	113.7	F448 L449 I484 N511	F448-R486 WeakPolarHBondContact CA-O 3.29Å; L449-R486 PolarHBondContact N-O 3.33Å; I484-R486 PolarHBondContact O-N 2.8Å; R486-N511 HydrophobicContact CB-CB 3.86Å
487	E	97.9	Very high	95.8	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.028	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.2	-176	-174.6	174.8	-178.9	0	0	108.8	R446 F448 G485 I489 Q505	R446-E487 IonicContact CZ-OE1 3.68Å; R446-E487 IonicContact NE-OE1 3.29Å; R446-E487 PolarHBondContact NE-OE1 3.21Å; R446-E487 IonicContact NH2-OE1 2.93Å; R446-E487 PolarHBondContact NH2-OE1 3.34Å; F448-E487 HydrophobicContact CD1-CB 4.37Å; F448-E487 HydrophobicContact CD1-CG 4.21Å; F448-E487 HydrophobicContact CE1-CB 4.2Å; F448-E487 HydrophobicContact CE1-CG 3.69Å; F448-E487 HydrophobicContact CE2-CG 4.2Å; F448-E487 VanDerWaalsContact CZ-CD 3.49Å; F448-E487 HydrophobicContact CZ-CG 3.69Å; F448-E487 VanDerWaalsContact CZ-OE1 3.27Å; F448-E487 WeakPolarHBondContact CZ-OE1 3.5Å; G485-E487 PolarHBondContact O-N 3.45Å; E487-I489 HydrophobicContact CG-CD1 4.19Å; E487-I489 HydrophobicContact CG-CG1 4.15Å; E487-Q505 VanDerWaalsContact O-CD 3.26Å; E487-Q505 WeakPolarHBondContact O-CG 3.3Å
488	Q	98	Very high	95.3	Very high	19 Å²	19	26.8 Å²	26.8	9%	0.089	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	103.9	-170.1	-66.1	-62.9	-30.5	0	0	111	L434 G447 W474 L477 G485	L434-Q488 HydrophobicContact CD2-CB 3.48Å; L434-Q488 VanDerWaalsContact CD2-CB 3.48Å; L434-Q488 HydrophobicContact CD2-CG 3.8Å; G447-Q488 PolarHBondContact O-N 2.87Å; W474-Q488 HydrophobicContact CE3-CG 4.46Å; W474-Q488 HydrophobicContact CH2-CB 4.49Å; W474-Q488 HydrophobicContact CH2-CG 3.68Å; W474-Q488 HydrophobicContact CZ3-CG 3.61Å; L477-Q488 HydrophobicContact CD1-CG 3.82Å; G485-Q488 PolarHBondContact O-NE2 3.28Å
489	I	97.6	Very high	94.7	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.051	16%	0.158	C	C	.	.			trans	-111.6	80.6	-173.2	-52.9	155.4	0	0	0	109.1	E487 A494 R495 V498 L503	E487-I489 HydrophobicContact CG-CD1 4.19Å; E487-I489 HydrophobicContact CG-CG1 4.15Å; I489-A494 HydrophobicContact CG2-CB 4.01Å; I489-R495 HydrophobicContact CG2-CB 4.44Å; I489-R495 HydrophobicContact CG2-CG 3.82Å; I489-V498 HydrophobicContact CD1-CB 4.44Å; I489-V498 HydrophobicContact CD1-CG1 3.98Å; I489-V498 HydrophobicContact CD1-CG2 4.21Å; I489-V498 HydrophobicContact CG1-CG2 4.24Å; I489-V498 HydrophobicContact CG2-CG2 4.3Å; I489-L503 HydrophobicContact CD1-CD2 4.16Å; I489-L503 HydrophobicContact CG2-CD2 3.82Å
490	L	96.8	Very high	93.9	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.042	19%	0.189	C	C	.	.			trans	-110.2	121.3	-172.1	-49.1	178	0	0	0	110.3	F405 L434 A494	F405-L490 HydrophobicContact CB-CB 4.03Å; F405-L490 HydrophobicContact CB-CD1 4.5Å; L434-L490 HydrophobicContact CB-CD1 3.81Å; L434-L490 HydrophobicContact CD2-CD1 4.47Å; L490-A494 WeakPolarHBondContact O-CB 3.3Å
491	G	93.7	Very high	93.1	Very high	14 Å²	14	38.7 Å²	38.7	14%	0.144	20%	0.204	C	C	.	.	S	Bend	trans	95	168	-178.7	0	0	0	0	0	114.3	Y406 R495	Y406-G491 PolarHBondContact O-N 2.87Å; G491-R495 VanDerWaalsContact C-CZ 3.42Å; G491-R495 VanDerWaalsContact C-NH2 3.33Å; G491-R495 WeakPolarHBondContact O-CG 3.42Å; G491-R495 VanDerWaalsContact O-CZ 3.26Å; G491-R495 PolarHBondContact O-N 3.06Å; G491-R495 PolarHBondContact O-NE 3.44Å
492	D	90.9	Very high	92.6	Very high	59 Å²	59	41.5 Å²	41.5	32%	0.316	22%	0.215	S	C	.	.	H	α-helix	trans	-71.6	-40.7	-176.7	61.2	-18.5	0	0	0	113	L270 P271 A494 R495 A496	L270-D492 PolarHBondContact N-OD2 2.82Å; P271-D492 VanDerWaalsContact CD-OD2 3.24Å; P271-D492 WeakPolarHBondContact CD-OD2 2.97Å; P271-D492 HydrophobicContact CG-CB 4.17Å; D492-A494 VanDerWaalsContact C-N 3.31Å; D492-A494 PolarHBondContact O-N 3.21Å; D492-R495 PolarHBondContact O-N 2.9Å; D492-A496 WeakPolarHBondContact O-CB 3.33Å; D492-A496 PolarHBondContact O-N 3.48Å
493	E	90.6	Very high	92.3	Very high	55 Å²	55	43 Å²	43	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-56.1	-44.1	173.9	-66.2	-174.3	117.3	0	0	111.9	R100 L270	R100-E493 IonicContact CZ-OE1 2.76Å; R100-E493 IonicContact NE-OE1 3.52Å; R100-E493 IonicContact NE-OE2 3.96Å; R100-E493 IonicContact NH2-OE1 2.81Å; R100-E493 PolarHBondContact NH2-OE1 2.8Å; L270-E493 HydrophobicContact CB-CG 3.41Å; L270-E493 VanDerWaalsContact CB-CG 3.41Å; L270-E493 HydrophobicContact CD1-CG 3.81Å; L270-E493 HydrophobicContact CG-CG 4.26Å
494	A	92.5	Very high	92.1	Very high	5 Å²	5	44 Å²	44	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-68.1	-46.4	178.5	0	0	0	0	0	111.6	I489 L490 D492 A496 R497	I489-A494 HydrophobicContact CG2-CB 4.01Å; L490-A494 WeakPolarHBondContact O-CB 3.3Å; D492-A494 VanDerWaalsContact C-N 3.31Å; D492-A494 PolarHBondContact O-N 3.21Å; A494-A496 VanDerWaalsContact C-N 3.3Å; A494-A496 PolarHBondContact O-N 3.41Å; A494-R497 PolarHBondContact O-N 3.49Å; A494-R497 VanDerWaalsContact O-N 3.15Å
495	R	92.9	Very high	91.9	Very high	102 Å²	102	44.6 Å²	44.6	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-37.4	179.1	-76.3	-176	-69.8	-97.8	2.3	112.8	I489 G491 D492 R497 V498 L503	I489-R495 HydrophobicContact CG2-CB 4.44Å; I489-R495 HydrophobicContact CG2-CG 3.82Å; G491-R495 VanDerWaalsContact C-CZ 3.42Å; G491-R495 VanDerWaalsContact C-NH2 3.33Å; G491-R495 WeakPolarHBondContact O-CG 3.42Å; G491-R495 VanDerWaalsContact O-CZ 3.26Å; G491-R495 PolarHBondContact O-N 3.06Å; G491-R495 PolarHBondContact O-NE 3.44Å; D492-R495 PolarHBondContact O-N 2.9Å; R495-R497 PolarHBondContact O-N 3.05Å; R495-R497 VanDerWaalsContact O-N 3.1Å; R495-V498 PolarHBondContact O-N 3.12Å; R495-L503 HydrophobicContact CB-CD2 4.39Å; R495-L503 HydrophobicContact CG-CD2 4.16Å
496	A	89.1	Confident	91.7	Very high	60 Å²	60	48.2 Å²	48.2	50%	0.496	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.3	180	0	0	0	0	0	113.7	P271 D492 A494	P271-A496 HydrophobicContact CB-CB 3.74Å; P271-A496 HydrophobicContact CG-CB 3.78Å; D492-A496 WeakPolarHBondContact O-CB 3.33Å; D492-A496 PolarHBondContact O-N 3.48Å; A494-A496 VanDerWaalsContact C-N 3.3Å; A494-A496 PolarHBondContact O-N 3.41Å
497	R	89.8	Confident	91.6	Very high	80 Å²	80	46 Å²	46	30%	0.302	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-1.2	179.8	-64.4	-67.7	153.2	172.9	16.7	114.6	H102 T136 E138 P445 A494 R495	H102-R497 PolarHBondContact CD2-NE 3.01Å; H102-R497 VanDerWaalsContact CD2-NE 3.3Å; H102-R497 VanDerWaalsContact NE2-CD 3.29Å; H102-R497 WeakPolarHBondContact NE2-CD 3.45Å; H102-R497 PolarHBondContact NE2-NE 3.33Å; H102-R497 PolarHBondContact NE2-NH1 3.49Å; H102-R497 PolarHBondContact NE2-NH2 3.46Å; T136-R497 PolarHBondContact OG1-NH2 3.38Å; T136-R497 VanDerWaalsContact OG1-NH2 3.16Å; E138-R497 IonicContact OE1-CZ 3.26Å; E138-R497 IonicContact OE1-NH1 2.61Å; E138-R497 PolarHBondContact OE1-NH1 3Å; E138-R497 IonicContact OE1-NH2 3.68Å; E138-R497 PolarHBondContact OE1-NH2 3.48Å; E138-R497 IonicContact OE2-CZ 3.62Å; E138-R497 IonicContact OE2-NH1 3.88Å; E138-R497 PolarHBondContact OE2-NH1 2.8Å; P445-R497 HydrophobicContact CG-CG 4.23Å; A494-R497 PolarHBondContact O-N 3.49Å; A494-R497 VanDerWaalsContact O-N 3.15Å; R495-R497 PolarHBondContact O-N 3.05Å; R495-R497 VanDerWaalsContact O-N 3.1Å
498	V	87.5	Confident	91.4	Very high	8 Å²	8	46.9 Å²	46.9	5%	0.048	24%	0.243	C	C	.	.	S	Bend	trans	-123.3	124.4	-173.2	-176.1	0	0	0	0	109.3	R446 I489 R495 F502 L503	R446-V498 VanDerWaalsContact CZ-CG2 3.41Å; I489-V498 HydrophobicContact CD1-CB 4.44Å; I489-V498 HydrophobicContact CD1-CG1 3.98Å; I489-V498 HydrophobicContact CD1-CG2 4.21Å; I489-V498 HydrophobicContact CG1-CG2 4.24Å; I489-V498 HydrophobicContact CG2-CG2 4.3Å; R495-V498 PolarHBondContact O-N 3.12Å; V498-F502 HydrophobicContact CG1-CB 3.67Å; V498-L503 HydrophobicContact CB-CD2 3.67Å; V498-L503 HydrophobicContact CG1-CD2 3.82Å; V498-L503 HydrophobicContact CG1-CG 4.33Å
499	P	86.9	Confident	91.3	Very high	57 Å²	57	47.4 Å²	47.4	37%	0.37	25%	0.246	S	C	.	.			trans	-54.5	141.9	171.3	-25.1	33.5	0	0	0	111.4	E501 F502	P499-E501 VanDerWaalsContact CB-CD 3.41Å; P499-E501 HydrophobicContact CB-CG 4.29Å; P499-E501 VanDerWaalsContact CB-OE2 3.23Å; P499-E501 WeakPolarHBondContact CB-OE2 3.25Å; P499-E501 PolarHBondContact O-N 3.35Å; P499-F502 HydrophobicContact CB-CD2 3.89Å; P499-F502 HydrophobicContact CB-CE2 4.29Å; P499-F502 HydrophobicContact CG-CD2 3.97Å; P499-F502 HydrophobicContact CG-CE2 4.28Å; P499-F502 PolarHBondContact O-N 3.3Å
500	P	81.8	Confident	91.4	Very high	102 Å²	102	47 Å²	47	66%	0.662	24%	0.244	S	C	*	.	H	α-helix	trans	-51.2	-34.2	-174.1	-29.9	36.3	0	0	0	115.2	F502 L503	P500-F502 PolarHBondContact O-N 2.98Å; P500-L503 PolarHBondContact O-N 2.86Å
501	E	80.4	Confident	91.5	Very high	123 Å²	123	47 Å²	47	58%	0.575	24%	0.244	S	C	*	.	H	α-helix	trans	-64.1	-23.8	179.7	61.7	-92.4	-143.1	0	0	114.3	P499	P499-E501 VanDerWaalsContact CB-CD 3.41Å; P499-E501 HydrophobicContact CB-CG 4.29Å; P499-E501 VanDerWaalsContact CB-OE2 3.23Å; P499-E501 WeakPolarHBondContact CB-OE2 3.25Å; P499-E501 PolarHBondContact O-N 3.35Å
502	F	86.9	Confident	91.7	Very high	100 Å²	100	46.4 Å²	46.4	44%	0.439	24%	0.238	S	C	.	.	H	α-helix	trans	-101.2	-4.7	-179.7	-57.8	-62.2	0	0	0	113.4	V498 P499 P500 V504 Q505	V498-F502 HydrophobicContact CG1-CB 3.67Å; P499-F502 HydrophobicContact CB-CD2 3.89Å; P499-F502 HydrophobicContact CB-CE2 4.29Å; P499-F502 HydrophobicContact CG-CD2 3.97Å; P499-F502 HydrophobicContact CG-CE2 4.28Å; P499-F502 PolarHBondContact O-N 3.3Å; P500-F502 PolarHBondContact O-N 2.98Å; F502-V504 VanDerWaalsContact C-N 3.34Å; F502-V504 PolarHBondContact O-N 2.91Å; F502-Q505 PolarHBondContact O-NE2 2.98Å
503	L	91.3	Very high	92.1	Very high	32 Å²	32	43.8 Å²	43.8	17%	0.168	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-38.5	178.3	-66.7	178	0	0	0	112.2	L410 I489 R495 V498 P500 Q505	L410-L503 HydrophobicContact CD1-CB 4.17Å; I489-L503 HydrophobicContact CD1-CD2 4.16Å; I489-L503 HydrophobicContact CG2-CD2 3.82Å; R495-L503 HydrophobicContact CB-CD2 4.39Å; R495-L503 HydrophobicContact CG-CD2 4.16Å; V498-L503 HydrophobicContact CB-CD2 3.67Å; V498-L503 HydrophobicContact CG1-CD2 3.82Å; V498-L503 HydrophobicContact CG1-CG 4.33Å; P500-L503 PolarHBondContact O-N 2.86Å; L503-Q505 PolarHBondContact O-N 3.49Å; L503-Q505 PolarHBondContact O-NE2 3.2Å; L503-Q505 VanDerWaalsContact O-NE2 3.12Å
504	V	94.6	Very high	92.5	Very high	27 Å²	27	41.1 Å²	41.1	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.1	-174.3	-177.5	0	0	0	0	110.7	L410 L412 P426 F502 R506	L410-V504 HydrophobicContact CB-CG2 4.24Å; L410-V504 HydrophobicContact CD1-CG2 4.41Å; L412-V504 HydrophobicContact CB-CG1 3.75Å; P426-V504 HydrophobicContact CB-CG1 3.98Å; P426-V504 HydrophobicContact CB-CG2 3.92Å; P426-V504 HydrophobicContact CG-CG1 3.99Å; P426-V504 HydrophobicContact CG-CG2 3.69Å; F502-V504 VanDerWaalsContact C-N 3.34Å; F502-V504 PolarHBondContact O-N 2.91Å; V504-R506 PolarHBondContact O-NH1 2.77Å; V504-R506 VanDerWaalsContact O-NH1 3.09Å
505	Q	95.4	Very high	92.8	Very high	15 Å²	15	41 Å²	41	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.1	174.1	-54.5	-46.7	-58.1	0	0	110.2	L410 V411 L412 W483 E487 F502 L503	L410-Q505 PolarHBondContact O-N 3.23Å; V411-Q505 CarbonylContact C-O 3.55Å; V411-Q505 VanDerWaalsContact CA-O 3.3Å; V411-Q505 WeakPolarHBondContact CA-O 3.31Å; L412-Q505 PolarHBondContact N-O 3.24Å; W483-Q505 HydrophobicContact CH2-CB 3.79Å; W483-Q505 HydrophobicContact CZ2-CB 3.98Å; E487-Q505 VanDerWaalsContact O-CD 3.26Å; E487-Q505 WeakPolarHBondContact O-CG 3.3Å; F502-Q505 PolarHBondContact O-NE2 2.98Å; L503-Q505 PolarHBondContact O-N 3.49Å; L503-Q505 PolarHBondContact O-NE2 3.2Å; L503-Q505 VanDerWaalsContact O-NE2 3.12Å
506	R	94.6	Very high	93.1	Very high	79 Å²	79	36.3 Å²	36.3	30%	0.298	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.1	-177.3	-74.4	162.6	180	69.3	-5.7	110.3	L412 E421 W483 V504 V508 H509	L412-R506 HydrophobicContact CB-CG 4.09Å; L412-R506 HydrophobicContact CD2-CG 4.03Å; E421-R506 WeakPolarHBondContact OE2-CD 3.44Å; E421-R506 IonicContact OE2-NE 3.61Å; E421-R506 PolarHBondContact OE2-NE 3.3Å; E421-R506 VanDerWaalsContact OE2-NE 3.15Å; W483-R506 WeakPolarHBondContact CZ2-O 3.19Å; V504-R506 PolarHBondContact O-NH1 2.77Å; V504-R506 VanDerWaalsContact O-NH1 3.09Å; R506-V508 HydrophobicContact CB-CG1 4.43Å; R506-V508 PolarHBondContact O-N 2.89Å; R506-V508 VanDerWaalsContact O-N 3.14Å; R506-H509 HydrophobicContact CB-CB 4.24Å; R506-H509 WeakPolarHBondContact CD-CE1 3.49Å; R506-H509 PolarHBondContact O-N 3.45Å
507	A	94.9	Very high	93.5	Very high	6 Å²	6	34.7 Å²	34.7	5%	0.05	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.9	-177.5	0	0	0	0	0	113.8	V411 L412 W483 W547	V411-A507 HydrophobicContact CG1-CB 4.32Å; L412-A507 WeakPolarHBondContact O-CB 3.35Å; L412-A507 PolarHBondContact O-N 2.92Å; W483-A507 HydrophobicContact CD2-CB 4.28Å; W483-A507 HydrophobicContact CE3-CB 4.38Å; A507-W547 WeakPolarHBondContact O-CZ2 3.5Å
508	V	94.1	Very high	94	Very high	23 Å²	23	30.9 Å²	30.9	14%	0.139	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.2	175.1	70.5	0	0	0	0	113.1	D414 E421 R506 Q552 R563	D414-V508 HydrophobicContact CB-CB 4.07Å; E421-V508 WeakPolarHBondContact OE1-CG1 3.44Å; R506-V508 HydrophobicContact CB-CG1 4.43Å; R506-V508 PolarHBondContact O-N 2.89Å; R506-V508 VanDerWaalsContact O-N 3.14Å; V508-Q552 PolarHBondContact O-NE2 2.94Å; V508-Q552 VanDerWaalsContact O-NE2 3.13Å; V508-R563 HydrophobicContact CG2-CB 4.04Å; V508-R563 HydrophobicContact CG2-CG 4.05Å; V508-R563 WeakPolarHBondContact O-CB 3.37Å
509	H	96.1	Very high	94.5	Very high	31 Å²	31	30.6 Å²	30.6	14%	0.144	16%	0.159	C	C	.	.			trans	-90.7	125	-178.3	-64.7	-173.4	0	0	0	110.8	E421 W483 R506 G564 P579	E421-H509 IonicContact OE1-NE2 3.41Å; W483-H509 PolarHBondContact NE1-O 3.25Å; R506-H509 HydrophobicContact CB-CB 4.24Å; R506-H509 WeakPolarHBondContact CD-CE1 3.49Å; R506-H509 PolarHBondContact O-N 3.45Å; H509-G564 WeakPolarHBondContact NE2-CA 3.43Å; H509-P579 HydrophobicContact CB-CB 4.42Å; H509-P579 HydrophobicContact CB-CG 3.99Å
510	A	98.3	Very high	95	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	15%	0.154	C	C	.	.			trans	-91	-175.8	174.7	0	0	0	0	0	112.4	W547 L548 Q552 W562 P579	A510-W547 HydrophobicContact CB-CH2 3.62Å; A510-W547 HydrophobicContact CB-CZ3 3.69Å; A510-L548 HydrophobicContact CB-CD1 3.71Å; A510-Q552 HydrophobicContact CB-CG 3.77Å; A510-W562 HydrophobicContact CB-CE3 4.24Å; A510-W562 HydrophobicContact CB-CZ3 3.76Å; A510-P579 WeakPolarHBondContact O-CB 3.43Å
511	N	98.7	Very high	95.8	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.043	13%	0.13	C	C	.	.			trans	-150.7	156.8	166.3	-149.5	-154.1	0	0	0	109.2	L449 W450 R486 P579	L449-N511 HydrophobicContact CB-CB 4.46Å; L449-N511 HydrophobicContact CD2-CB 4.1Å; W450-N511 VanDerWaalsContact CB-OD1 3.29Å; W450-N511 WeakPolarHBondContact CB-OD1 3.27Å; W450-N511 PolarHBondContact N-OD1 3.48Å; R486-N511 HydrophobicContact CB-CB 3.86Å; N511-P579 VanDerWaalsContact CA-O 3.32Å; N511-P579 WeakPolarHBondContact CA-O 3.25Å; N511-P579 PolarHBondContact ND2-O 3.08Å
512	P	98.9	Very high	96.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.102	C	C	.	.			trans	-51.6	134.6	176.8	-31.8	39	0	0	0	112.7	W450 T514 W562 S580 W603	W450-P512 HydrophobicContact CB-CB 4.07Å; W450-P512 HydrophobicContact CB-CG 4.34Å; W450-P512 HydrophobicContact CE3-CB 4.39Å; W450-P512 HydrophobicContact CE3-CG 4.16Å; P512-T514 HydrophobicContact CB-CG2 4.08Å; P512-T514 PolarHBondContact O-N 3.48Å; P512-W562 HydrophobicContact CG-CH2 4.1Å; P512-W562 HydrophobicContact CG-CZ2 4.34Å; P512-S580 WeakPolarHBondContact CG-O 3.27Å; P512-W603 HydrophobicContact CB-CD2 4.15Å; P512-W603 HydrophobicContact CB-CG 4.39Å; P512-W603 HydrophobicContact CB-CZ2 4.07Å
513	P	98.8	Very high	97	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.019	9%	0.087	C	C	.	.			trans	-82.4	51.1	-173.5	36.1	-37.9	0	0	0	112.3	L515 L516 W544 L548 W603	P513-L515 PolarHBondContact O-N 2.83Å; P513-L515 VanDerWaalsContact O-N 3.14Å; P513-L516 HydrophobicContact CB-CD1 4.07Å; P513-L516 HydrophobicContact CB-CG 4.35Å; P513-L516 HydrophobicContact CG-CD1 4.45Å; P513-L516 WeakPolarHBondContact O-CB 3.41Å; P513-L516 WeakPolarHBondContact O-CG 3.4Å; P513-L516 PolarHBondContact O-N 3.16Å; P513-W544 HydrophobicContact CB-CH2 3.44Å; P513-W544 VanDerWaalsContact CB-CH2 3.44Å; P513-W544 HydrophobicContact CB-CZ2 3.92Å; P513-W544 HydrophobicContact CB-CZ3 3.85Å; P513-L548 HydrophobicContact CB-CD2 4.05Å; P513-L548 HydrophobicContact CG-CD2 3.73Å; P513-W603 HydrophobicContact CG-CB 4.13Å; P513-W603 HydrophobicContact CG-CE3 4.33Å
514	T	98.9	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.6	-173.7	60.1	0	0	0	0	113.2	W450 G453 F454 P512 L516 L517 P518 W603	W450-T514 VanDerWaalsContact C-OG1 3.24Å; W450-T514 VanDerWaalsContact CA-OG1 3.22Å; W450-T514 WeakPolarHBondContact CA-OG1 3.4Å; W450-T514 HydrophobicContact CB-CG2 4.16Å; W450-T514 WeakPolarHBondContact O-CB 3.43Å; W450-T514 PolarHBondContact O-OG1 2.7Å; G453-T514 WeakPolarHBondContact CA-O 3.43Å; G453-T514 WeakPolarHBondContact CA-OG1 3.25Å; G453-T514 PolarHBondContact N-OG1 3.13Å; F454-T514 HydrophobicContact CD2-CG2 4.33Å; F454-T514 HydrophobicContact CE2-CG2 3.72Å; F454-T514 HydrophobicContact CZ-CG2 4.08Å; P512-T514 HydrophobicContact CB-CG2 4.08Å; P512-T514 PolarHBondContact O-N 3.48Å; T514-L516 PolarHBondContact O-N 3Å; T514-L516 VanDerWaalsContact O-N 3.09Å; T514-L517 HydrophobicContact CG2-CD1 4.36Å; T514-L517 VanDerWaalsContact O-CB 3.27Å; T514-L517 WeakPolarHBondContact O-CB 3.45Å; T514-L517 WeakPolarHBondContact O-CG 3.35Å; T514-L517 PolarHBondContact O-N 2.86Å; T514-P518 VanDerWaalsContact O-CD 3.26Å; T514-P518 WeakPolarHBondContact O-CD 3.48Å; T514-W603 HydrophobicContact CG2-CH2 3.89Å; T514-W603 HydrophobicContact CG2-CZ2 4.28Å; T514-W603 HydrophobicContact CG2-CZ3 4.35Å
515	L	98.9	Very high	97.2	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.8	169.7	-61.8	-173.6	0	0	0	112.8	L449 E452 L471 W474 P513 L517 P518 V519 W544	L449-L515 HydrophobicContact CD1-CD1 3.64Å; L449-L515 HydrophobicContact CD1-CG 4.12Å; E452-L515 HydrophobicContact CB-CD2 3.94Å; E452-L515 HydrophobicContact CG-CD2 4.11Å; L471-L515 HydrophobicContact CD2-CB 4.26Å; L471-L515 HydrophobicContact CD2-CD2 3.8Å; L471-L515 HydrophobicContact CD2-CG 4.44Å; W474-L515 HydrophobicContact CB-CD1 3.9Å; W474-L515 HydrophobicContact CG-CD1 4.24Å; P513-L515 PolarHBondContact O-N 2.83Å; P513-L515 VanDerWaalsContact O-N 3.14Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L515-P518 WeakPolarHBondContact O-CD 3.43Å; L515-P518 VanDerWaalsContact O-CG 3.28Å; L515-P518 WeakPolarHBondContact O-CG 3.44Å; L515-V519 WeakPolarHBondContact O-CG2 3.49Å; L515-W544 HydrophobicContact CB-CH2 3.93Å; L515-W544 HydrophobicContact CB-CZ3 4.04Å; L515-W544 HydrophobicContact CD1-CH2 4.34Å; L515-W544 HydrophobicContact CG-CH2 4.24Å
516	L	98.9	Very high	97.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-77.8	-16.9	173.7	-58.4	-178.8	0	0	0	113.3	P513 T514 V519 A520 L541 W544 V610 L611	P513-L516 HydrophobicContact CB-CD1 4.07Å; P513-L516 HydrophobicContact CB-CG 4.35Å; P513-L516 HydrophobicContact CG-CD1 4.45Å; P513-L516 WeakPolarHBondContact O-CB 3.41Å; P513-L516 WeakPolarHBondContact O-CG 3.4Å; P513-L516 PolarHBondContact O-N 3.16Å; T514-L516 PolarHBondContact O-N 3Å; T514-L516 VanDerWaalsContact O-N 3.09Å; L516-V519 PolarHBondContact O-N 3.18Å; L516-A520 PolarHBondContact O-N 3.47Å; L516-L541 HydrophobicContact CD2-CD2 3.88Å; L516-W544 HydrophobicContact CD1-CZ3 4.49Å; L516-W544 HydrophobicContact CD2-CE3 4.42Å; L516-W544 HydrophobicContact CD2-CZ3 4Å; L516-W544 HydrophobicContact CG-CZ3 3.9Å; L516-V610 HydrophobicContact CB-CG1 4.45Å; L516-L611 HydrophobicContact CD2-CD2 4.3Å
517	L	98.8	Very high	97.1	Very high	26 Å²	26	25.3 Å²	25.3	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-52.7	175.6	-58.4	173.6	0	0	0	112.4	F454 L457 T514 L515 V519 A520 H521 L606 L761	F454-L517 HydrophobicContact CD1-CD1 4.36Å; F454-L517 HydrophobicContact CE1-CD1 3.97Å; F454-L517 HydrophobicContact CZ-CD1 4.4Å; L457-L517 HydrophobicContact CD1-CB 4.12Å; L457-L517 HydrophobicContact CD1-CD1 4.15Å; L457-L517 HydrophobicContact CD2-CB 4.1Å; L457-L517 HydrophobicContact CG-CB 4.25Å; T514-L517 HydrophobicContact CG2-CD1 4.36Å; T514-L517 VanDerWaalsContact O-CB 3.27Å; T514-L517 WeakPolarHBondContact O-CB 3.45Å; T514-L517 WeakPolarHBondContact O-CG 3.35Å; T514-L517 PolarHBondContact O-N 2.86Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L517-V519 VanDerWaalsContact C-N 3.28Å; L517-V519 PolarHBondContact O-N 3.23Å; L517-A520 PolarHBondContact O-N 3.14Å; L517-H521 PolarHBondContact O-N 3.36Å; L517-L606 HydrophobicContact CD2-CD2 3.76Å; L517-L761 HydrophobicContact CD1-CD2 4.45Å
518	P	98.8	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-33.7	174.1	26.3	-36.1	0	0	0	112.4	Q456 L471 T514 L515 A520 H521 M522	Q456-P518 HydrophobicContact CB-CB 4.09Å; Q456-P518 HydrophobicContact CB-CG 4Å; L471-P518 HydrophobicContact CD1-CG 4.37Å; L471-P518 HydrophobicContact CD2-CG 4.32Å; T514-P518 VanDerWaalsContact O-CD 3.26Å; T514-P518 WeakPolarHBondContact O-CD 3.48Å; L515-P518 WeakPolarHBondContact O-CD 3.43Å; L515-P518 VanDerWaalsContact O-CG 3.28Å; L515-P518 WeakPolarHBondContact O-CG 3.44Å; P518-A520 PolarHBondContact O-N 2.89Å; P518-H521 PolarHBondContact O-N 3.08Å; P518-M522 WeakPolarHBondContact O-CG 3.14Å; P518-M522 PolarHBondContact O-N 3.46Å
519	V	98.8	Very high	97.4	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-42.6	174.6	170.5	0	0	0	0	111.8	L471 L515 L516 L517 H521 M522 L523 L534 L541 V610 L614	L471-V519 HydrophobicContact CD1-CG2 4.3Å; L515-V519 WeakPolarHBondContact O-CG2 3.49Å; L516-V519 PolarHBondContact O-N 3.18Å; L517-V519 VanDerWaalsContact C-N 3.28Å; L517-V519 PolarHBondContact O-N 3.23Å; V519-H521 VanDerWaalsContact C-N 3.29Å; V519-H521 PolarHBondContact O-N 3.46Å; V519-M522 PolarHBondContact O-N 3Å; V519-L523 PolarHBondContact O-N 3.32Å; V519-L534 HydrophobicContact CB-CD2 4.46Å; V519-L534 HydrophobicContact CG1-CD2 3.85Å; V519-L534 HydrophobicContact CG2-CD2 4.15Å; V519-L541 HydrophobicContact CG2-CD1 4.42Å; V519-L541 HydrophobicContact CG2-CD2 4.4Å; V519-V610 HydrophobicContact CG1-CG1 4.16Å; V519-L614 HydrophobicContact CG1-CD2 4.13Å
520	A	98	Very high	97.5	Very high	32 Å²	32	32.4 Å²	32.4	26%	0.264	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-40.5	176.5	0	0	0	0	0	111.6	L516 L517 P518 L523 E524 V610	L516-A520 PolarHBondContact O-N 3.47Å; L517-A520 PolarHBondContact O-N 3.14Å; P518-A520 PolarHBondContact O-N 2.89Å; A520-L523 PolarHBondContact O-N 3.06Å; A520-E524 PolarHBondContact O-N 2.94Å; A520-V610 HydrophobicContact CB-CG1 4.23Å; A520-V610 HydrophobicContact CB-CG2 3.93Å
521	H	97.1	Very high	97.4	Very high	33 Å²	33	33.9 Å²	33.9	15%	0.153	20%	0.195	C	C	.	.	H	α-helix	trans	-68.4	-42.6	175.7	-179.5	75.8	0	0	0	113.1	Q460 R461 L517 P518 V519 L523 E524 V525	Q460-H521 PolarHBondContact NE2-CD2 3.47Å; R461-H521 PolarHBondContact NH1-CE1 3.08Å; R461-H521 VanDerWaalsContact NH1-CE1 3.27Å; R461-H521 PolarHBondContact NH2-CE1 3.18Å; R461-H521 PolarHBondContact NH2-ND1 3.13Å; L517-H521 PolarHBondContact O-N 3.36Å; P518-H521 PolarHBondContact O-N 3.08Å; V519-H521 VanDerWaalsContact C-N 3.29Å; V519-H521 PolarHBondContact O-N 3.46Å; H521-L523 PolarHBondContact O-N 3.45Å; H521-E524 PolarHBondContact O-N 3.4Å; H521-E524 VanDerWaalsContact O-N 3.12Å; H521-V525 VanDerWaalsContact CE1-CG2 3.5Å; H521-V525 WeakPolarHBondContact CE1-CG2 3.41Å; H521-V525 WeakPolarHBondContact NE2-CG2 3.44Å; H521-V525 WeakPolarHBondContact O-CG2 3.32Å; H521-V525 PolarHBondContact O-N 2.75Å
522	M	98.1	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-55.9	-40.9	175	-74.1	175.2	168.6	0	0	111.4	T467 R468 L471 P518 V519 G526 D530 L534	T467-M522 HydrophobicContact CG2-CE 3.46Å; T467-M522 VanDerWaalsContact CG2-CE 3.46Å; R468-M522 HydrophobicContact CG-CE 4.25Å; L471-M522 HydrophobicContact CD1-CE 4.04Å; L471-M522 HydrophobicContact CD1-SD 4.23Å; P518-M522 WeakPolarHBondContact O-CG 3.14Å; P518-M522 PolarHBondContact O-N 3.46Å; V519-M522 PolarHBondContact O-N 3Å; M522-G526 PolarHBondContact O-N 3.47Å; M522-D530 HydrophobicContact CB-CB 4.15Å; M522-D530 HydrophobicContact CG-CB 4.21Å; M522-L534 HydrophobicContact CB-CD1 3.92Å; M522-L534 HydrophobicContact SD-CD2 4.32Å
523	L	96.3	Very high	97.4	Very high	23 Å²	23	36.8 Å²	36.8	12%	0.12	22%	0.216	C	C	.	.	H	α-helix	trans	-67.2	-39.9	176.4	-176.9	61.5	0	0	0	112.5	V519 A520 H521 L531 Q613 L614 H617	V519-L523 PolarHBondContact O-N 3.32Å; A520-L523 PolarHBondContact O-N 3.06Å; H521-L523 PolarHBondContact O-N 3.45Å; L523-L531 HydrophobicContact CD1-CD2 4.41Å; L523-Q613 HydrophobicContact CD2-CB 3.75Å; L523-L614 HydrophobicContact CD1-CD1 4.15Å; L523-L614 HydrophobicContact CD2-CB 4.27Å; L523-H617 HydrophobicContact CD1-CB 3.77Å
524	E	94.3	Very high	97.4	Very high	159 Å²	159	36.6 Å²	36.6	74%	0.743	22%	0.215	S	C	*	.	H	α-helix	trans	-65.8	-42.8	177.8	-175.8	179.7	-168.8	0	0	112.4	A520 H521	A520-E524 PolarHBondContact O-N 2.94Å; H521-E524 PolarHBondContact O-N 3.4Å; H521-E524 VanDerWaalsContact O-N 3.12Å
525	V	94.1	Very high	97.3	Very high	89 Å²	89	42.9 Å²	42.9	54%	0.539	24%	0.239	S	C	.	.	H	α-helix	trans	-70.3	-39.9	177.7	174.6	0	0	0	0	111.3	H521 D527	H521-V525 VanDerWaalsContact CE1-CG2 3.5Å; H521-V525 WeakPolarHBondContact CE1-CG2 3.41Å; H521-V525 WeakPolarHBondContact NE2-CG2 3.44Å; H521-V525 WeakPolarHBondContact O-CG2 3.32Å; H521-V525 PolarHBondContact O-N 2.75Å; V525-D527 HydrophobicContact CG1-CB 4.37Å
526	G	93.1	Very high	97.3	Very high	30 Å²	30	49.1 Å²	49.1	31%	0.309	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	31.1	177.2	0	0	0	0	0	114.3	M522	M522-G526 PolarHBondContact O-N 3.47Å
527	D	96.2	Very high	97.3	Very high	58 Å²	58	49 Å²	49	31%	0.31	27%	0.266	S	S	.	.			trans	-62.4	134.7	175.2	176.5	-93.1	0	0	0	111	V525 D529 D530 L531	V525-D527 HydrophobicContact CG1-CB 4.37Å; D527-D529 VanDerWaalsContact C-N 3.32Å; D527-D529 PolarHBondContact O-N 3.24Å; D527-D529 WeakPolarHBondContact OD1-CB 3.47Å; D527-D529 PolarHBondContact OD1-N 3.12Å; D527-D530 HydrophobicContact CB-CB 4.15Å; D527-D530 PolarHBondContact O-N 3.09Å; D527-D530 PolarHBondContact OD1-N 3.5Å; D527-L531 WeakPolarHBondContact O-CG 3.23Å; D527-L531 PolarHBondContact O-N 3.3Å
528	P	97.1	Very high	97.3	Very high	96 Å²	96	48 Å²	48	62%	0.623	26%	0.26	S	S	*	.	H	α-helix	trans	-57.8	-37.1	-176.5	-27.5	35.6	0	0	0	115.1	A532	P528-A532 WeakPolarHBondContact O-CB 3.43Å; P528-A532 PolarHBondContact O-N 3.01Å
529	D	97.4	Very high	97.3	Very high	103 Å²	103	50.7 Å²	50.7	55%	0.551	28%	0.278	S	S	*	.	H	α-helix	trans	-73.5	-38	180	-71.1	-26.7	0	0	0	110.8	R468 D527 A532 F533	R468-D529 IonicContact NH2-OD2 2.78Å; D527-D529 VanDerWaalsContact C-N 3.32Å; D527-D529 PolarHBondContact O-N 3.24Å; D527-D529 WeakPolarHBondContact OD1-CB 3.47Å; D527-D529 PolarHBondContact OD1-N 3.12Å; D529-A532 PolarHBondContact O-N 2.76Å; D529-F533 WeakPolarHBondContact O-CB 3.45Å; D529-F533 PolarHBondContact O-N 3.46Å
530	D	97.8	Very high	97.3	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.053	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-44.7	173.1	-74.8	-20.2	0	0	0	111.3	R468 M522 D527 A532 F533 L534	R468-D530 WeakPolarHBondContact CD-OD1 3.3Å; R468-D530 IonicContact CZ-OD1 3.65Å; R468-D530 IonicContact NE-OD1 2.82Å; R468-D530 IonicContact NH1-OD1 3.24Å; R468-D530 PolarHBondContact NH1-OD1 3.19Å; M522-D530 HydrophobicContact CB-CB 4.15Å; M522-D530 HydrophobicContact CG-CB 4.21Å; D527-D530 HydrophobicContact CB-CB 4.15Å; D527-D530 PolarHBondContact O-N 3.09Å; D527-D530 PolarHBondContact OD1-N 3.5Å; D530-A532 VanDerWaalsContact C-N 3.33Å; D530-A532 PolarHBondContact O-N 2.91Å; D530-F533 WeakPolarHBondContact O-CB 2.64Å; D530-F533 PolarHBondContact O-N 3.37Å; D530-L534 WeakPolarHBondContact O-CB 3.39Å; D530-L534 VanDerWaalsContact O-CG 3.27Å; D530-L534 WeakPolarHBondContact O-CG 3.12Å; D530-L534 PolarHBondContact O-N 3.24Å
531	L	97.6	Very high	97.3	Very high	33 Å²	33	49.9 Å²	49.9	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-39	176	-67.6	179.3	0	0	0	112.1	L523 D527 L534 R535 H617	L523-L531 HydrophobicContact CD1-CD2 4.41Å; D527-L531 WeakPolarHBondContact O-CG 3.23Å; D527-L531 PolarHBondContact O-N 3.3Å; L531-L534 PolarHBondContact O-N 2.53Å; L531-R535 WeakPolarHBondContact O-CB 3.12Å; L531-R535 PolarHBondContact O-N 3.37Å; L531-H617 WeakPolarHBondContact CD2-NE2 3.25Å
532	A	97.8	Very high	97.4	Very high	52 Å²	52	49.9 Å²	49.9	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-39.5	174.6	0	0	0	0	0	112.1	P528 D529 D530 K536	P528-A532 WeakPolarHBondContact O-CB 3.43Å; P528-A532 PolarHBondContact O-N 3.01Å; D529-A532 PolarHBondContact O-N 2.76Å; D530-A532 VanDerWaalsContact C-N 3.33Å; D530-A532 PolarHBondContact O-N 2.91Å; A532-K536 PolarHBondContact O-N 2.96Å
533	F	98.4	Very high	97.4	Very high	17 Å²	17	50.6 Å²	50.6	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-49.2	172.7	168.9	-93.3	0	0	0	111.7	V80 R468 L471 D529 D530 R535 K536 A537	V80-F533 HydrophobicContact CG1-CD2 3.74Å; V80-F533 HydrophobicContact CG1-CE2 3.26Å; V80-F533 HydrophobicContact CG1-CZ 3.8Å; R468-F533 HydrophobicContact CB-CD2 3.87Å; R468-F533 HydrophobicContact CB-CE2 4.04Å; R468-F533 HydrophobicContact CB-CG 4.19Å; R468-F533 HydrophobicContact CG-CB 4.13Å; R468-F533 HydrophobicContact CG-CD1 4.1Å; R468-F533 HydrophobicContact CG-CD2 4.05Å; R468-F533 HydrophobicContact CG-CG 3.83Å; R468-F533 WeakPolarHBondContact O-CE2 3.43Å; L471-F533 HydrophobicContact CB-CE1 4.22Å; L471-F533 HydrophobicContact CB-CZ 3.79Å; L471-F533 HydrophobicContact CD1-CE1 4.37Å; D529-F533 WeakPolarHBondContact O-CB 3.45Å; D529-F533 PolarHBondContact O-N 3.46Å; D530-F533 WeakPolarHBondContact O-CB 2.64Å; D530-F533 PolarHBondContact O-N 3.37Å; F533-R535 VanDerWaalsContact C-N 3.29Å; F533-R535 PolarHBondContact O-N 2.97Å; F533-K536 WeakPolarHBondContact O-CB 3.46Å; F533-K536 PolarHBondContact O-N 2.9Å; F533-A537 HydrophobicContact CE1-CB 4.17Å; F533-A537 HydrophobicContact CZ-CB 4.37Å; F533-A537 WeakPolarHBondContact O-CB 3.46Å; F533-A537 PolarHBondContact O-N 2.71Å
534	L	98.4	Very high	97.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-37.5	-179.2	-71.7	178.6	0	0	0	111.8	V519 M522 D530 L531 K536 A537 F538 L541 L614	V519-L534 HydrophobicContact CB-CD2 4.46Å; V519-L534 HydrophobicContact CG1-CD2 3.85Å; V519-L534 HydrophobicContact CG2-CD2 4.15Å; M522-L534 HydrophobicContact CB-CD1 3.92Å; M522-L534 HydrophobicContact SD-CD2 4.32Å; D530-L534 WeakPolarHBondContact O-CB 3.39Å; D530-L534 VanDerWaalsContact O-CG 3.27Å; D530-L534 WeakPolarHBondContact O-CG 3.12Å; D530-L534 PolarHBondContact O-N 3.24Å; L531-L534 PolarHBondContact O-N 2.53Å; L534-K536 VanDerWaalsContact C-N 3.31Å; L534-K536 PolarHBondContact O-N 2.74Å; L534-A537 PolarHBondContact O-N 3.46Å; L534-F538 WeakPolarHBondContact O-CB 3.46Å; L534-F538 PolarHBondContact O-N 3.38Å; L534-L541 HydrophobicContact CD2-CD1 4.37Å; L534-L614 HydrophobicContact CB-CD1 4.07Å; L534-L614 HydrophobicContact CD1-CD1 3.96Å; L534-L614 HydrophobicContact CD2-CD2 4.5Å
535	R	98.3	Very high	97.7	Very high	131 Å²	131	42.3 Å²	42.3	49%	0.494	23%	0.234	S	C	.	.	H	α-helix	trans	-57.5	-42.6	172.6	-171.2	176.5	-62.7	-76.4	-1.2	112.4	L531 F533 L618	L531-R535 WeakPolarHBondContact O-CB 3.12Å; L531-R535 PolarHBondContact O-N 3.37Å; F533-R535 VanDerWaalsContact C-N 3.29Å; F533-R535 PolarHBondContact O-N 2.97Å; R535-L618 HydrophobicContact CB-CD2 3.88Å; R535-L618 HydrophobicContact CG-CD2 4.31Å; R535-L618 PolarHBondContact NH1-O 3.09Å
536	K	98	Very high	98	Very high	135 Å²	135	38.9 Å²	38.9	59%	0.587	21%	0.214	S	C	*	.	H	α-helix	trans	-72.5	-35.7	176	-66.6	177.1	-178.1	175.8	0	112.2	A532 F533 L534	A532-K536 PolarHBondContact O-N 2.96Å; F533-K536 WeakPolarHBondContact O-CB 3.46Å; F533-K536 PolarHBondContact O-N 2.9Å; L534-K536 VanDerWaalsContact C-N 3.31Å; L534-K536 PolarHBondContact O-N 2.74Å
537	A	98.6	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-76.2	-24.6	-177.7	0	0	0	0	0	113.6	V80 L475 F533 L534 R540 L541	V80-A537 HydrophobicContact CG1-CB 3.86Å; V80-A537 HydrophobicContact CG2-CB 4.17Å; L475-A537 HydrophobicContact CD1-CB 3.78Å; F533-A537 HydrophobicContact CE1-CB 4.17Å; F533-A537 HydrophobicContact CZ-CB 4.37Å; F533-A537 WeakPolarHBondContact O-CB 3.46Å; F533-A537 PolarHBondContact O-N 2.71Å; L534-A537 PolarHBondContact O-N 3.46Å; A537-R540 WeakPolarHBondContact O-CB 3.19Å; A537-R540 PolarHBondContact O-N 3.31Å; A537-L541 HydrophobicContact CB-CD1 3.92Å; A537-L541 HydrophobicContact CB-CG 4.41Å; A537-L541 PolarHBondContact O-N 3.27Å
538	F	98.6	Very high	98.3	Very high	5 Å²	5	36 Å²	36	2%	0.022	19%	0.19	C	C	.	.	H	α-helix	trans	-52.3	-47.6	-169.4	-178.8	-101.9	0	0	0	114.6	L534 R540 L541 H542 L614 A615 L618 E620 V623	L534-F538 WeakPolarHBondContact O-CB 3.46Å; L534-F538 PolarHBondContact O-N 3.38Å; F538-R540 PolarHBondContact O-N 3.45Å; F538-L541 PolarHBondContact O-N 2.87Å; F538-H542 WeakPolarHBondContact O-CB 3.25Å; F538-H542 PolarHBondContact O-N 3.08Å; F538-L614 HydrophobicContact CD2-CD2 3.83Å; F538-L614 HydrophobicContact CD2-CG 3.88Å; F538-L614 HydrophobicContact CE2-CD2 4.47Å; F538-L614 HydrophobicContact CE2-CG 4.27Å; F538-A615 HydrophobicContact CE2-CB 3.86Å; F538-A615 HydrophobicContact CZ-CB 3.6Å; F538-L618 HydrophobicContact CB-CD1 3.76Å; F538-L618 HydrophobicContact CD2-CD1 3.93Å; F538-L618 HydrophobicContact CG-CD1 3.9Å; F538-E620 HydrophobicContact CD1-CB 4.46Å; F538-E620 HydrophobicContact CD1-CG 3.78Å; F538-E620 HydrophobicContact CE1-CB 3.69Å; F538-E620 HydrophobicContact CE1-CG 3.5Å; F538-E620 HydrophobicContact CZ-CB 3.94Å; F538-E620 HydrophobicContact CZ-CG 4.09Å; F538-V623 HydrophobicContact CE1-CB 4.17Å; F538-V623 HydrophobicContact CE1-CG1 4.17Å; F538-V623 HydrophobicContact CE1-CG2 4.06Å; F538-V623 HydrophobicContact CZ-CB 3.94Å; F538-V623 HydrophobicContact CZ-CG1 3.62Å; F538-V623 HydrophobicContact CZ-CG2 4.32Å
539	P	98.5	Very high	98.4	Very high	56 Å²	56	34.2 Å²	34.2	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-60.6	-31.4	179.2	-24.6	35.5	0	0	0	113.6	A77 A543	A77-P539 HydrophobicContact CB-CB 4.05Å; P539-A543 WeakPolarHBondContact O-CB 3.35Å; P539-A543 PolarHBondContact O-N 3.06Å; P539-A543 VanDerWaalsContact O-N 3.11Å
540	R	98.8	Very high	98.4	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.045	18%	0.177	C	C	.	.	H	α-helix	trans	-79.5	-41.6	178.6	-77.8	177	176.5	-86.1	-9.3	111.8	H75 A77 P78 L475 L478 A537 F538 H542 A543 W544	H75-R540 PolarHBondContact O-NH2 2.95Å; H75-R540 VanDerWaalsContact O-NH2 3.17Å; A77-R540 HydrophobicContact CB-CG 4.04Å; A77-R540 PolarHBondContact O-NH2 3.28Å; P78-R540 PolarHBondContact O-NE 2.88Å; L475-R540 HydrophobicContact CB-CB 4.3Å; L475-R540 HydrophobicContact CD2-CB 4.35Å; L475-R540 PolarHBondContact O-NH1 3.33Å; L478-R540 HydrophobicContact CD1-CB 3.54Å; L478-R540 HydrophobicContact CD1-CG 3.84Å; L478-R540 WeakPolarHBondContact CD1-O 3.39Å; A537-R540 WeakPolarHBondContact O-CB 3.19Å; A537-R540 PolarHBondContact O-N 3.31Å; F538-R540 PolarHBondContact O-N 3.45Å; R540-H542 VanDerWaalsContact C-N 3.33Å; R540-A543 PolarHBondContact O-N 2.83Å; R540-W544 WeakPolarHBondContact O-CB 3.38Å; R540-W544 PolarHBondContact O-N 2.83Å
541	L	98.8	Very high	98.4	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-45.5	173.1	-73.7	166.2	0	0	0	111.2	L475 L516 V519 L534 A537 F538 W544 F545 L611 L614	L475-L541 HydrophobicContact CD1-CD2 4.07Å; L475-L541 HydrophobicContact CD1-CG 3.95Å; L475-L541 HydrophobicContact CD2-CD2 3.87Å; L475-L541 HydrophobicContact CD2-CG 4.21Å; L516-L541 HydrophobicContact CD2-CD2 3.88Å; V519-L541 HydrophobicContact CG2-CD1 4.42Å; V519-L541 HydrophobicContact CG2-CD2 4.4Å; L534-L541 HydrophobicContact CD2-CD1 4.37Å; A537-L541 HydrophobicContact CB-CD1 3.92Å; A537-L541 HydrophobicContact CB-CG 4.41Å; A537-L541 PolarHBondContact O-N 3.27Å; F538-L541 PolarHBondContact O-N 2.87Å; L541-W544 PolarHBondContact O-N 2.77Å; L541-F545 PolarHBondContact O-N 3.35Å; L541-L611 HydrophobicContact CB-CD2 4.04Å; L541-L614 HydrophobicContact CD1-CD2 4.14Å
542	H	98.7	Very high	98.5	Very high	33 Å²	33	35.2 Å²	35.2	15%	0.153	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-50.2	175.8	179.6	-139.1	0	0	0	111.6	F538 R540 W544 F545 S546	F538-H542 WeakPolarHBondContact O-CB 3.25Å; F538-H542 PolarHBondContact O-N 3.08Å; R540-H542 VanDerWaalsContact C-N 3.33Å; H542-W544 VanDerWaalsContact C-N 3.29Å; H542-W544 PolarHBondContact O-N 3.37Å; H542-F545 PolarHBondContact O-N 2.83Å; H542-S546 PolarHBondContact CD2-OG 3.17Å; H542-S546 VanDerWaalsContact CD2-OG 3.3Å; H542-S546 PolarHBondContact NE2-OG 3.14Å; H542-S546 VanDerWaalsContact NE2-OG 3.15Å; H542-S546 WeakPolarHBondContact O-CB 3.37Å; H542-S546 PolarHBondContact O-N 2.96Å; H542-S546 PolarHBondContact O-OG 3.48Å; H542-S546 VanDerWaalsContact O-OG 3.06Å
543	A	98.8	Very high	98.5	Very high	17 Å²	17	34.7 Å²	34.7	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-41.4	177.8	0	0	0	0	0	112.8	H75 P539 R540 W547	H75-A543 WeakPolarHBondContact NE2-CB 3.33Å; P539-A543 WeakPolarHBondContact O-CB 3.35Å; P539-A543 PolarHBondContact O-N 3.06Å; P539-A543 VanDerWaalsContact O-N 3.11Å; R540-A543 PolarHBondContact O-N 2.83Å; A543-W547 WeakPolarHBondContact O-CB 3.47Å; A543-W547 PolarHBondContact O-N 2.99Å
544	W	98.9	Very high	98.5	Very high	6 Å²	6	34.9 Å²	34.9	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-45.1	177.7	-179	52.9	0	0	0	112.9	L449 L478 G482 I484 P513 L515 L516 R540 L541 H542 W547 L548	L449-W544 HydrophobicContact CD1-CZ2 4.23Å; L449-W544 HydrophobicContact CD2-CZ2 4.12Å; L449-W544 HydrophobicContact CG-CZ2 4.39Å; L478-W544 HydrophobicContact CD2-CB 3.78Å; L478-W544 HydrophobicContact CD2-CG 4.14Å; G482-W544 WeakPolarHBondContact O-CA 3.34Å; I484-W544 HydrophobicContact CD1-CG 4.27Å; P513-W544 HydrophobicContact CB-CH2 3.44Å; P513-W544 VanDerWaalsContact CB-CH2 3.44Å; P513-W544 HydrophobicContact CB-CZ2 3.92Å; P513-W544 HydrophobicContact CB-CZ3 3.85Å; L515-W544 HydrophobicContact CB-CH2 3.93Å; L515-W544 HydrophobicContact CB-CZ3 4.04Å; L515-W544 HydrophobicContact CD1-CH2 4.34Å; L515-W544 HydrophobicContact CG-CH2 4.24Å; L516-W544 HydrophobicContact CD1-CZ3 4.49Å; L516-W544 HydrophobicContact CD2-CE3 4.42Å; L516-W544 HydrophobicContact CD2-CZ3 4Å; L516-W544 HydrophobicContact CG-CZ3 3.9Å; R540-W544 WeakPolarHBondContact O-CB 3.38Å; R540-W544 PolarHBondContact O-N 2.83Å; L541-W544 PolarHBondContact O-N 2.77Å; H542-W544 VanDerWaalsContact C-N 3.29Å; H542-W544 PolarHBondContact O-N 3.37Å; W544-W547 PolarHBondContact O-N 3.18Å; W544-L548 PolarHBondContact O-N 2.97Å; W544-L548 VanDerWaalsContact O-N 3.08Å
545	F	98.8	Very high	98.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-65.5	-44.7	176.4	172.9	-98.1	0	0	0	112.1	L541 H542 W547 L548 H549 V604 G607 A608 L611 L627 L630	L541-F545 PolarHBondContact O-N 3.35Å; H542-F545 PolarHBondContact O-N 2.83Å; F545-W547 VanDerWaalsContact C-N 3.27Å; F545-W547 PolarHBondContact O-N 2.7Å; F545-L548 WeakPolarHBondContact O-CB 3.45Å; F545-L548 PolarHBondContact O-N 2.81Å; F545-H549 HydrophobicContact CE1-CB 4.44Å; F545-H549 HydrophobicContact CZ-CB 4.49Å; F545-H549 PolarHBondContact O-N 3.11Å; F545-V604 HydrophobicContact CE2-CG1 3.93Å; F545-V604 WeakPolarHBondContact CE2-O 3.42Å; F545-V604 HydrophobicContact CZ-CG1 3.86Å; F545-G607 VanDerWaalsContact CE2-C 3.45Å; F545-A608 HydrophobicContact CE1-CB 4.41Å; F545-A608 HydrophobicContact CE2-CB 4.42Å; F545-A608 VanDerWaalsContact CE2-N 3.31Å; F545-A608 HydrophobicContact CZ-CB 3.73Å; F545-L611 HydrophobicContact CB-CD1 3.26Å; F545-L611 HydrophobicContact CD1-CD1 3.88Å; F545-L611 HydrophobicContact CD2-CD1 4.3Å; F545-L611 HydrophobicContact CG-CD1 3.54Å; F545-L627 HydrophobicContact CD1-CD2 4.12Å; F545-L627 HydrophobicContact CE1-CD2 3.76Å; F545-L630 HydrophobicContact CE1-CD2 4.15Å; F545-L630 HydrophobicContact CZ-CD2 4.25Å
546	S	98.7	Very high	98.5	Very high	16 Å²	16	34.5 Å²	34.5	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-37.7	178.5	-62.8	0	0	0	0	111.2	H542 Q550	H542-S546 PolarHBondContact CD2-OG 3.17Å; H542-S546 VanDerWaalsContact CD2-OG 3.3Å; H542-S546 PolarHBondContact NE2-OG 3.14Å; H542-S546 VanDerWaalsContact NE2-OG 3.15Å; H542-S546 WeakPolarHBondContact O-CB 3.37Å; H542-S546 PolarHBondContact O-N 2.96Å; H542-S546 PolarHBondContact O-OG 3.48Å; H542-S546 VanDerWaalsContact O-OG 3.06Å; S546-Q550 WeakPolarHBondContact O-CB 3.37Å; S546-Q550 WeakPolarHBondContact O-CG 3.46Å; S546-Q550 PolarHBondContact O-N 3.33Å
547	W	98.7	Very high	98.5	Very high	26 Å²	26	33.6 Å²	33.6	10%	0.098	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-45.6	170	176.2	85.6	0	0	0	112.5	D481 G482 W483 A507 A510 A543 W544 F545 Q550 S551	D481-W547 WeakPolarHBondContact O-CB 3.46Å; G482-W547 WeakPolarHBondContact O-CB 3.35Å; W483-W547 HydrophobicContact CB-CD2 4.06Å; W483-W547 HydrophobicContact CB-CG 4.43Å; W483-W547 HydrophobicContact CB-CZ2 4.06Å; W483-W547 AromaticContact CD1-CE2 3.89Å; W483-W547 AromaticContact CD1-CH2 3.43Å; W483-W547 VanDerWaalsContact CD1-CH2 3.43Å; W483-W547 AromaticContact CD1-CZ2 3.35Å; W483-W547 HydrophobicContact CG-CH2 4.42Å; W483-W547 HydrophobicContact CG-CZ2 4.03Å; A507-W547 WeakPolarHBondContact O-CZ2 3.5Å; A510-W547 HydrophobicContact CB-CH2 3.62Å; A510-W547 HydrophobicContact CB-CZ3 3.69Å; A543-W547 WeakPolarHBondContact O-CB 3.47Å; A543-W547 PolarHBondContact O-N 2.99Å; W544-W547 PolarHBondContact O-N 3.18Å; F545-W547 VanDerWaalsContact C-N 3.27Å; F545-W547 PolarHBondContact O-N 2.7Å; W547-Q550 PolarHBondContact O-N 2.83Å; W547-S551 WeakPolarHBondContact CZ2-OG 3.44Å; W547-S551 WeakPolarHBondContact O-CB 3.5Å; W547-S551 PolarHBondContact O-N 3.41Å; W547-S551 PolarHBondContact O-OG 2.72Å
548	L	98.8	Very high	98.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-49.6	178.6	178.2	68.4	0	0	0	111.1	A510 P513 W544 F545 Q550 Q552 L600 V604	A510-L548 HydrophobicContact CB-CD1 3.71Å; P513-L548 HydrophobicContact CB-CD2 4.05Å; P513-L548 HydrophobicContact CG-CD2 3.73Å; W544-L548 PolarHBondContact O-N 2.97Å; W544-L548 VanDerWaalsContact O-N 3.08Å; F545-L548 WeakPolarHBondContact O-CB 3.45Å; F545-L548 PolarHBondContact O-N 2.81Å; L548-Q550 VanDerWaalsContact C-N 3.35Å; L548-Q550 PolarHBondContact O-N 3.27Å; L548-Q552 HydrophobicContact CD1-CG 3.85Å; L548-Q552 WeakPolarHBondContact O-CB 3.4Å; L548-Q552 PolarHBondContact O-N 3.36Å; L548-L600 HydrophobicContact CD1-CD1 4.19Å; L548-V604 HydrophobicContact CD2-CG2 4.26Å; L548-V604 HydrophobicContact CG-CG2 4.34Å
549	H	98.6	Very high	98.5	Very high	58 Å²	58	36 Å²	36	27%	0.269	21%	0.213	S	C	.	.	H	α-helix	trans	-57	-46.3	178.8	169	64.5	0	0	0	111.7	F545 Y560 V604	F545-H549 HydrophobicContact CE1-CB 4.44Å; F545-H549 HydrophobicContact CZ-CB 4.49Å; F545-H549 PolarHBondContact O-N 3.11Å; H549-Y560 PolarHBondContact CE1-OH 3.21Å; H549-Y560 AromaticContact ND1-CE1 3.55Å; H549-Y560 AromaticContact ND1-CZ 3.68Å; H549-Y560 PolarHBondContact ND1-OH 3.32Å; H549-V604 HydrophobicContact CB-CG1 4.38Å
550	Q	98	Very high	98.5	Very high	137 Å²	137	33.6 Å²	33.6	64%	0.64	20%	0.196	S	C	*	.	H	α-helix	trans	-76.6	-49.8	-177.5	-68.1	173.5	14	0	0	112.8	S546 W547 L548 Q552 A553	S546-Q550 WeakPolarHBondContact O-CB 3.37Å; S546-Q550 WeakPolarHBondContact O-CG 3.46Å; S546-Q550 PolarHBondContact O-N 3.33Å; W547-Q550 PolarHBondContact O-N 2.83Å; L548-Q550 VanDerWaalsContact C-N 3.35Å; L548-Q550 PolarHBondContact O-N 3.27Å; Q550-Q552 VanDerWaalsContact C-N 3.3Å; Q550-Q552 PolarHBondContact O-N 2.86Å; Q550-A553 PolarHBondContact O-N 3.17Å
551	S	97.4	Very high	98.5	Very high	30 Å²	30	34.1 Å²	34.1	21%	0.21	20%	0.199	C	C	.	.	H	α-helix	trans	-68.4	-30.1	-172.1	66.8	0	0	0	0	112.9	W547	W547-S551 WeakPolarHBondContact CZ2-OG 3.44Å; W547-S551 WeakPolarHBondContact O-CB 3.5Å; W547-S551 PolarHBondContact O-N 3.41Å; W547-S551 PolarHBondContact O-OG 2.72Å
552	Q	98.4	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	14.8	-176.9	-46.8	-58.5	-62.3	0	0	113.5	V508 A510 L548 Q550 G554 Y560 R561 L600	V508-Q552 PolarHBondContact O-NE2 2.94Å; V508-Q552 VanDerWaalsContact O-NE2 3.13Å; A510-Q552 HydrophobicContact CB-CG 3.77Å; L548-Q552 HydrophobicContact CD1-CG 3.85Å; L548-Q552 WeakPolarHBondContact O-CB 3.4Å; L548-Q552 PolarHBondContact O-N 3.36Å; Q550-Q552 VanDerWaalsContact C-N 3.3Å; Q550-Q552 PolarHBondContact O-N 2.86Å; Q552-G554 PolarHBondContact O-N 3.46Å; Q552-Y560 CarbonylContact O-C 3.6Å; Q552-Y560 WeakPolarHBondContact O-CA 3.38Å; Q552-R561 PolarHBondContact O-N 2.85Å; Q552-L600 HydrophobicContact CB-CD2 3.73Å; Q552-L600 HydrophobicContact CG-CD2 4.46Å
553	A	98.6	Very high	98.4	Very high	41 Å²	41	34.6 Å²	34.6	34%	0.339	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-52.8	138.2	176.2	0	0	0	0	0	111.8	Q550 R563	Q550-A553 PolarHBondContact O-N 3.17Å; A553-R563 PolarHBondContact O-NH1 2.82Å; A553-R563 VanDerWaalsContact O-NH1 3.09Å; A553-R563 PolarHBondContact O-NH2 3.14Å
554	G	98.2	Very high	98.1	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	20%	0.204	C	C	.	.			trans	-86	-174.6	-179.6	0	0	0	0	0	112.8	Q552 V556 S559	Q552-G554 PolarHBondContact O-N 3.46Å; G554-V556 VanDerWaalsContact C-N 3.27Å; G554-V556 PolarHBondContact O-N 3.49Å; G554-S559 WeakPolarHBondContact CA-O 3.32Å; G554-S559 WeakPolarHBondContact CA-OG 3.39Å; G554-S559 PolarHBondContact N-O 3.11Å
555	P	97.8	Very high	97.9	Very high	61 Å²	61	36 Å²	36	40%	0.396	21%	0.208	S	C	.	.	S	Bend	trans	-71.3	-17.6	-176.7	29.2	-37	0	0	0	114.4	S559 E595 R596	P555-S559 WeakPolarHBondContact CD-OG 3.49Å; P555-E595 VanDerWaalsContact CD-O 3.31Å; P555-E595 WeakPolarHBondContact CD-O 3.44Å; P555-R596 HydrophobicContact CG-CG 4.12Å
556	V	98.4	Very high	97.7	Very high	63 Å²	63	37.6 Å²	37.6	38%	0.382	22%	0.216	S	C	.	.	S	Bend	trans	-134.8	160.2	-178.9	-61.1	0	0	0	0	110.9	G554 S559 L643	G554-V556 VanDerWaalsContact C-N 3.27Å; G554-V556 PolarHBondContact O-N 3.49Å; V556-S559 WeakPolarHBondContact CG2-OG 3.23Å; V556-S559 PolarHBondContact N-OG 2.83Å; V556-S559 WeakPolarHBondContact O-CB 3.31Å; V556-S559 PolarHBondContact O-N 3.37Å; V556-S559 PolarHBondContact O-OG 3.18Å; V556-L643 HydrophobicContact CG2-CD2 3.8Å
557	P	98.3	Very high	97.3	Very high	116 Å²	116	40.9 Å²	40.9	75%	0.753	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	143.6	178	-27.8	36.2	0	0	0	112.9	S559	P557-S559 PolarHBondContact O-N 3.1Å
558	L	98.3	Very high	96.8	Very high	53 Å²	53	42.6 Å²	42.6	28%	0.277	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	7.3	-179.9	-52.1	175.4	0	0	0	115.4	R601 L630 L634 S639 L643	L558-R601 PolarHBondContact O-NE 3.03Å; L558-L630 HydrophobicContact CD2-CD1 4.27Å; L558-L634 HydrophobicContact CB-CD2 4.14Å; L558-L634 HydrophobicContact CD2-CD2 3.98Å; L558-L634 HydrophobicContact CD2-CG 4.31Å; L558-S639 WeakPolarHBondContact CD1-OG 3.35Å; L558-L643 HydrophobicContact CB-CD1 4.34Å
559	S	98.8	Very high	96.5	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.021	28%	0.277	C	S	.	.			trans	-98.3	153.6	169.9	76.8	0	0	0	0	110.8	G554 P555 V556 P557	G554-S559 WeakPolarHBondContact CA-O 3.32Å; G554-S559 WeakPolarHBondContact CA-OG 3.39Å; G554-S559 PolarHBondContact N-O 3.11Å; P555-S559 WeakPolarHBondContact CD-OG 3.49Å; V556-S559 WeakPolarHBondContact CG2-OG 3.23Å; V556-S559 PolarHBondContact N-OG 2.83Å; V556-S559 WeakPolarHBondContact O-CB 3.31Å; V556-S559 PolarHBondContact O-N 3.37Å; V556-S559 PolarHBondContact O-OG 3.18Å; P557-S559 PolarHBondContact O-N 3.1Å
560	Y	98.9	Very high	96.3	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.016	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-135.8	152.4	179.4	-58.7	-90.4	0	0	0	110.9	H549 Q552 H597 L600 R601 V604 L634	H549-Y560 PolarHBondContact CE1-OH 3.21Å; H549-Y560 AromaticContact ND1-CE1 3.55Å; H549-Y560 AromaticContact ND1-CZ 3.68Å; H549-Y560 PolarHBondContact ND1-OH 3.32Å; Q552-Y560 CarbonylContact O-C 3.6Å; Q552-Y560 WeakPolarHBondContact O-CA 3.38Å; Y560-H597 PolarHBondContact O-N 3.5Å; Y560-L600 HydrophobicContact CG-CG 4.33Å; Y560-R601 HydrophobicContact CD2-CB 3.87Å; Y560-R601 HydrophobicContact CD2-CG 3.95Å; Y560-R601 HydrophobicContact CE2-CG 4.18Å; Y560-V604 HydrophobicContact CD1-CG2 3.96Å; Y560-V604 HydrophobicContact CD2-CB 4.47Å; Y560-V604 HydrophobicContact CD2-CG2 4.43Å; Y560-V604 HydrophobicContact CE1-CB 4.19Å; Y560-V604 HydrophobicContact CE1-CG1 3.87Å; Y560-V604 HydrophobicContact CE1-CG2 3.89Å; Y560-V604 HydrophobicContact CE2-CB 4.02Å; Y560-V604 HydrophobicContact CE2-CG1 4.1Å; Y560-V604 HydrophobicContact CE2-CG2 4.35Å; Y560-V604 HydrophobicContact CG-CG2 4.24Å; Y560-V604 VanDerWaalsContact CZ-CG1 3.5Å; Y560-V604 VanDerWaalsContact OH-CG1 3.29Å; Y560-V604 WeakPolarHBondContact OH-CG1 3.42Å; Y560-L634 HydrophobicContact CE2-CD2 3.72Å
561	R	98.8	Very high	96.1	Very high	24 Å²	24	44.5 Å²	44.5	9%	0.091	28%	0.281	C	S	.	.			trans	-144.1	114.5	179.2	178.5	-174.8	68.6	86	-8.4	110.7	E418 Q552 R563 E595	E418-R561 IonicContact OE1-CZ 3.8Å; E418-R561 IonicContact OE1-NH1 3.76Å; E418-R561 IonicContact OE1-NH2 3.51Å; E418-R561 PolarHBondContact OE1-NH2 2.89Å; Q552-R561 PolarHBondContact O-N 2.85Å; R561-R563 VanDerWaalsContact NE-NH1 3.14Å; R561-R563 PolarHBondContact O-N 2.72Å; R561-R563 PolarHBondContact O-NH1 3.2Å; R561-E595 HydrophobicContact CG-CB 4.07Å
562	W	98.6	Very high	96.1	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	27%	0.273	C	S	.	.			trans	-43.6	119.8	164.4	-63.7	119	0	0	0	112.2	A510 P512 T577 P579 S580 H597 D599 L600	A510-W562 HydrophobicContact CB-CE3 4.24Å; A510-W562 HydrophobicContact CB-CZ3 3.76Å; P512-W562 HydrophobicContact CG-CH2 4.1Å; P512-W562 HydrophobicContact CG-CZ2 4.34Å; W562-T577 HydrophobicContact CB-CG2 3.77Å; W562-T577 HydrophobicContact CG-CG2 4.02Å; W562-P579 HydrophobicContact CE3-CB 4.28Å; W562-S580 VanDerWaalsContact CE2-CB 3.41Å; W562-S580 VanDerWaalsContact NE1-CB 3.27Å; W562-H597 WeakPolarHBondContact CB-ND1 2.97Å; W562-H597 AromaticContact CD1-CG 3.73Å; W562-H597 AromaticContact CD1-ND1 3.31Å; W562-H597 VanDerWaalsContact CD1-ND1 3.31Å; W562-H597 AromaticContact CG-ND1 3.66Å; W562-H597 PolarHBondContact N-ND1 3.41Å; W562-D599 PolarHBondContact NE1-OD1 3.13Å; W562-D599 PolarHBondContact NE1-OD2 3.09Å; W562-L600 HydrophobicContact CD2-CB 4.21Å; W562-L600 HydrophobicContact CD2-CD1 4.29Å; W562-L600 HydrophobicContact CD2-CD2 3.86Å; W562-L600 HydrophobicContact CD2-CG 4.34Å; W562-L600 HydrophobicContact CE3-CD1 4.18Å; W562-L600 HydrophobicContact CE3-CD2 4.14Å; W562-L600 HydrophobicContact CG-CD2 4.12Å; W562-L600 HydrophobicContact CH2-CD1 3.62Å; W562-L600 HydrophobicContact CZ2-CB 3.85Å; W562-L600 HydrophobicContact CZ2-CD1 3.72Å; W562-L600 HydrophobicContact CZ2-CG 4.24Å; W562-L600 HydrophobicContact CZ3-CD1 3.86Å
563	R	96.6	Very high	96.1	Very high	45 Å²	45	43.9 Å²	43.9	17%	0.17	28%	0.275	C	S	.	.	S	Bend	trans	-76.2	161.4	163.9	-55.2	-53.3	-172	-112.1	4.3	109.6	V508 A553 R561 P579	V508-R563 HydrophobicContact CG2-CB 4.04Å; V508-R563 HydrophobicContact CG2-CG 4.05Å; V508-R563 WeakPolarHBondContact O-CB 3.37Å; A553-R563 PolarHBondContact O-NH1 2.82Å; A553-R563 VanDerWaalsContact O-NH1 3.09Å; A553-R563 PolarHBondContact O-NH2 3.14Å; R561-R563 VanDerWaalsContact NE-NH1 3.14Å; R561-R563 PolarHBondContact O-N 2.72Å; R561-R563 PolarHBondContact O-NH1 3.2Å; R563-P579 VanDerWaalsContact O-CG 3.31Å; R563-P579 WeakPolarHBondContact O-CG 3.36Å
564	G	92.8	Very high	96.1	Very high	24 Å²	24	42 Å²	42	25%	0.247	26%	0.259	C	S	.	.			trans	80.9	20.7	174.7	0	0	0	0	0	116.9	H509	H509-G564 WeakPolarHBondContact NE2-CA 3.43Å
565	R	95.4	Very high	96.1	Very high	30 Å²	30	41 Å²	41	11%	0.113	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-63.5	144.8	164.8	-73	-163.6	69.6	-156.9	-2.3	110.2	N574 P575 K576 T577 A588 E595	R565-N574 PolarHBondContact NH2-OD1 3.31Å; R565-P575 PolarHBondContact NH2-O 2.9Å; R565-K576 CarbonylContact C-O 3.56Å; R565-K576 VanDerWaalsContact CA-O 3.25Å; R565-K576 WeakPolarHBondContact CA-O 3.29Å; R565-T577 WeakPolarHBondContact CD-OG1 3.29Å; R565-T577 HydrophobicContact CG-CG2 3.7Å; R565-T577 WeakPolarHBondContact CG-OG1 3.34Å; R565-T577 PolarHBondContact NE-OG1 2.82Å; R565-T577 VanDerWaalsContact NE-OG1 3.1Å; R565-A588 PolarHBondContact NH1-O 3.08Å; R565-A588 PolarHBondContact NH2-O 2.56Å; R565-A588 VanDerWaalsContact NH2-O 3.11Å; R565-E595 IonicContact CZ-OE2 3.33Å; R565-E595 IonicContact NH1-OE1 3.76Å; R565-E595 IonicContact NH1-OE2 2.7Å; R565-E595 PolarHBondContact NH1-OE2 2.87Å
566	D	94	Very high	96.1	Very high	34 Å²	34	39.9 Å²	39.9	18%	0.182	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-55.2	143.8	172.5	-76.8	-17.6	0	0	0	109.7	L572 P575 K576	D566-L572 HydrophobicContact CB-CD1 3.86Å; D566-L572 WeakPolarHBondContact OD2-CD1 3.24Å; D566-P575 HydrophobicContact CB-CB 3.83Å; D566-P575 WeakPolarHBondContact O-CB 3.49Å; D566-K576 PolarHBondContact N-O 3.19Å; D566-K576 VanDerWaalsContact OD2-CB 3.3Å; D566-K576 WeakPolarHBondContact OD2-CB 3.41Å; D566-K576 VanDerWaalsContact OD2-CE 3.29Å; D566-K576 WeakPolarHBondContact OD2-CE 3.38Å; D566-K576 WeakPolarHBondContact OD2-CG 3.28Å; D566-K576 PolarHBondContact OD2-N 3.26Å; D566-K576 IonicContact OD2-NZ 2.95Å; D566-K576 PolarHBondContact OD2-NZ 3.19Å
567	P	90	Very high	96.1	Very high	85 Å²	85	36.9 Å²	36.9	55%	0.552	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-64.7	164.1	168.4	28	-32.6	0	0	0	110.3	L569	P567-L569 VanDerWaalsContact C-N 3.25Å; P567-L569 HydrophobicContact CG-CD2 4.21Å; P567-L569 HydrophobicContact CG-CG 4.17Å; P567-L569 PolarHBondContact O-N 2.8Å
568	A	88.9	Confident	96	Very high	63 Å²	63	33.4 Å²	33.4	52%	0.521	20%	0.195	S	C	.	.			trans	-69.9	80.6	176.8	0	0	0	0	0	111.3
569	L	92.8	Very high	96	Very high	80 Å²	80	30.9 Å²	30.9	42%	0.419	18%	0.182	S	C	.	.			trans	-80.6	141.5	176.9	-64.8	178.4	0	0	0	111.1	P567 T571 L572	P567-L569 VanDerWaalsContact C-N 3.25Å; P567-L569 HydrophobicContact CG-CD2 4.21Å; P567-L569 HydrophobicContact CG-CG 4.17Å; P567-L569 PolarHBondContact O-N 2.8Å; L569-T571 PolarHBondContact O-N 2.79Å; L569-T571 VanDerWaalsContact O-N 3.09Å; L569-L572 HydrophobicContact CB-CD1 4.14Å; L569-L572 HydrophobicContact CB-CG 4.11Å; L569-L572 HydrophobicContact CD1-CD1 4.1Å; L569-L572 HydrophobicContact CG-CD1 4.42Å; L569-L572 PolarHBondContact O-N 2.87Å
570	P	93.3	Very high	96	Very high	87 Å²	87	30.8 Å²	30.8	57%	0.565	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.7	177.5	-23.9	33.9	0	0	0	114.5	V673 R674	P570-V673 CarbonylContact O-C 3.52Å; P570-V673 WeakPolarHBondContact O-CA 3.41Å; P570-R674 WeakPolarHBondContact O-CB 3.36Å; P570-R674 PolarHBondContact O-N 2.9Å
571	T	94.8	Very high	95.9	Very high	71 Å²	71	30.8 Å²	30.8	44%	0.436	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-11.9	-177.5	51.6	0	0	0	0	113.7	L569	L569-T571 PolarHBondContact O-N 2.79Å; L569-T571 VanDerWaalsContact O-N 3.09Å
572	L	96.6	Very high	95.9	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	18%	0.179	C	C	.	.			trans	-101.8	124.3	-175.7	-62.7	-179.2	0	0	0	111.1	D566 L569 R674 N742	D566-L572 HydrophobicContact CB-CD1 3.86Å; D566-L572 WeakPolarHBondContact OD2-CD1 3.24Å; L569-L572 HydrophobicContact CB-CD1 4.14Å; L569-L572 HydrophobicContact CB-CG 4.11Å; L569-L572 HydrophobicContact CD1-CD1 4.1Å; L569-L572 HydrophobicContact CG-CD1 4.42Å; L569-L572 PolarHBondContact O-N 2.87Å; L572-R674 WeakPolarHBondContact O-CD 3.3Å; L572-N742 WeakPolarHBondContact CA-O 3.35Å
573	L	97.7	Very high	95.8	Very high	9 Å²	9	32 Å²	32	5%	0.047	19%	0.191	C	C	.	.	S	Bend	trans	-59.5	-48.5	173.7	-179.9	61.7	0	0	0	111.3	V662 L664 F737 Q740 N742	L573-V662 HydrophobicContact CD1-CB 4.3Å; L573-V662 HydrophobicContact CD1-CG2 4.02Å; L573-L664 HydrophobicContact CB-CD1 4.01Å; L573-L664 HydrophobicContact CB-CD2 4.34Å; L573-L664 HydrophobicContact CB-CG 3.91Å; L573-L664 HydrophobicContact CD1-CG 4.24Å; L573-F737 HydrophobicContact CD2-CD1 3.95Å; L573-F737 HydrophobicContact CD2-CE1 4.04Å; L573-F737 HydrophobicContact CG-CD1 4.38Å; L573-F737 HydrophobicContact CG-CE1 3.99Å; L573-Q740 HydrophobicContact CD2-CB 4.01Å; L573-N742 PolarHBondContact N-O 3.36Å
574	N	98.4	Very high	95.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-137.5	130.2	173.1	-167.2	-94.9	0	0	0	108.9	R565 K576 R587 F737 N742	R565-N574 PolarHBondContact NH2-OD1 3.31Å; N574-K576 PolarHBondContact O-N 3.23Å; N574-R587 PolarHBondContact ND2-O 2.88Å; N574-R587 PolarHBondContact OD1-N 3.17Å; N574-R587 VanDerWaalsContact OD1-N 3.14Å; N574-F737 HydrophobicContact CB-CE1 4.21Å; N574-N742 PolarHBondContact N-OD1 3.08Å; N574-N742 VanDerWaalsContact O-CG 3.31Å; N574-N742 PolarHBondContact O-ND2 3.33Å; N574-N742 PolarHBondContact O-OD1 2.95Å
575	P	98	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.			trans	-63.5	134.3	-179.7	-24.1	36.7	0	0	0	112.1	R565 D566 P591	R565-P575 PolarHBondContact NH2-O 2.9Å; D566-P575 HydrophobicContact CB-CB 3.83Å; D566-P575 WeakPolarHBondContact O-CB 3.49Å; P575-P591 HydrophobicContact CB-CG 3.79Å; P575-P591 HydrophobicContact CG-CG 3.65Å
576	K	98	Very high	96.3	Very high	37 Å²	37	27.8 Å²	27.8	16%	0.161	17%	0.168	C	C	.	.			trans	-69.5	161.2	-175.4	-63	-172.5	-74.2	-85.7	0	112.3	R565 D566 N574 L578 D583 D746	R565-K576 CarbonylContact C-O 3.56Å; R565-K576 VanDerWaalsContact CA-O 3.25Å; R565-K576 WeakPolarHBondContact CA-O 3.29Å; D566-K576 PolarHBondContact N-O 3.19Å; D566-K576 VanDerWaalsContact OD2-CB 3.3Å; D566-K576 WeakPolarHBondContact OD2-CB 3.41Å; D566-K576 VanDerWaalsContact OD2-CE 3.29Å; D566-K576 WeakPolarHBondContact OD2-CE 3.38Å; D566-K576 WeakPolarHBondContact OD2-CG 3.28Å; D566-K576 PolarHBondContact OD2-N 3.26Å; D566-K576 IonicContact OD2-NZ 2.95Å; D566-K576 PolarHBondContact OD2-NZ 3.19Å; N574-K576 PolarHBondContact O-N 3.23Å; K576-L578 HydrophobicContact CB-CD2 4.17Å; K576-L578 HydrophobicContact CB-CG 4.43Å; K576-L578 HydrophobicContact CD-CD2 4.11Å; K576-D583 CarbonylContact C-O 3.57Å; K576-D583 VanDerWaalsContact CA-O 3.27Å; K576-D583 WeakPolarHBondContact CA-O 3.47Å; K576-D583 VanDerWaalsContact CB-O 3.25Å; K576-D583 WeakPolarHBondContact CB-O 3.27Å; K576-D746 IonicContact NZ-OD2 3.62Å; K576-D746 PolarHBondContact NZ-OD2 2.98Å
577	T	98.2	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.159	C	C	.	.			trans	-129.5	58.7	174.9	-43.5	0	0	0	0	109.9	W562 R565 P579 S580 D583 R587	W562-T577 HydrophobicContact CB-CG2 3.77Å; W562-T577 HydrophobicContact CG-CG2 4.02Å; R565-T577 WeakPolarHBondContact CD-OG1 3.29Å; R565-T577 HydrophobicContact CG-CG2 3.7Å; R565-T577 WeakPolarHBondContact CG-OG1 3.34Å; R565-T577 PolarHBondContact NE-OG1 2.82Å; R565-T577 VanDerWaalsContact NE-OG1 3.1Å; T577-P579 VanDerWaalsContact O-N 3.11Å; T577-S580 PolarHBondContact O-N 2.81Å; T577-S580 PolarHBondContact O-OG 2.74Å; T577-D583 PolarHBondContact N-O 3.03Å; T577-R587 WeakPolarHBondContact OG1-CD 3.32Å; T577-R587 PolarHBondContact OG1-NE 3.49Å
578	L	96.7	Very high	97	Very high	43 Å²	43	22.2 Å²	22.2	23%	0.225	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-48.8	-38.6	-177.3	-51.3	178.3	0	0	0	114	K576 S580 G581 D583	K576-L578 HydrophobicContact CB-CD2 4.17Å; K576-L578 HydrophobicContact CB-CG 4.43Å; K576-L578 HydrophobicContact CD-CD2 4.11Å; L578-S580 PolarHBondContact O-N 2.92Å; L578-S580 VanDerWaalsContact O-N 3.16Å; L578-G581 PolarHBondContact O-N 2.62Å; L578-G581 VanDerWaalsContact O-N 3.13Å; L578-D583 HydrophobicContact CD2-CB 3.7Å; L578-D583 WeakPolarHBondContact CD2-OD2 3.4Å
579	P	98.1	Very high	97.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.7	178.8	-30.9	43.5	0	0	0	114.4	H509 A510 N511 W562 R563 T577 G581	H509-P579 HydrophobicContact CB-CB 4.42Å; H509-P579 HydrophobicContact CB-CG 3.99Å; A510-P579 WeakPolarHBondContact O-CB 3.43Å; N511-P579 VanDerWaalsContact CA-O 3.32Å; N511-P579 WeakPolarHBondContact CA-O 3.25Å; N511-P579 PolarHBondContact ND2-O 3.08Å; W562-P579 HydrophobicContact CE3-CB 4.28Å; R563-P579 VanDerWaalsContact O-CG 3.31Å; R563-P579 WeakPolarHBondContact O-CG 3.36Å; T577-P579 VanDerWaalsContact O-N 3.11Å; P579-G581 VanDerWaalsContact C-N 3.29Å; P579-G581 PolarHBondContact O-N 2.89Å
580	S	98.6	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-78.1	-11.6	178.7	80.7	0	0	0	0	114	P512 W562 T577 L578 L582 R587	P512-S580 WeakPolarHBondContact CG-O 3.27Å; W562-S580 VanDerWaalsContact CE2-CB 3.41Å; W562-S580 VanDerWaalsContact NE1-CB 3.27Å; T577-S580 PolarHBondContact O-N 2.81Å; T577-S580 PolarHBondContact O-OG 2.74Å; L578-S580 PolarHBondContact O-N 2.92Å; L578-S580 VanDerWaalsContact O-N 3.16Å; S580-L582 WeakPolarHBondContact O-CD1 3.37Å; S580-L582 PolarHBondContact O-N 3.46Å; S580-L582 PolarHBondContact OG-N 3.23Å; S580-R587 VanDerWaalsContact CB-NH2 3.27Å; S580-R587 PolarHBondContact OG-NH2 2.93Å
581	G	98.1	Very high	97.8	Very high	5 Å²	5	15.2 Å²	15.2	5%	0.052	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-6.5	-171.5	0	0	0	0	0	114.7	W450 L578 P579 W750	W450-G581 WeakPolarHBondContact CH2-O 3.44Å; W450-G581 VanDerWaalsContact CZ2-O 3.24Å; W450-G581 WeakPolarHBondContact CZ2-O 3.34Å; L578-G581 PolarHBondContact O-N 2.62Å; L578-G581 VanDerWaalsContact O-N 3.13Å; P579-G581 VanDerWaalsContact C-N 3.29Å; P579-G581 PolarHBondContact O-N 2.89Å; G581-W750 PolarHBondContact O-NE1 3.25Å
582	L	98.5	Very high	97.9	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	8%	0.075	C	C	.	.			trans	-112.9	67.2	176.4	-64.4	91.3	0	0	0	109.8	S580 D584 Y585 Y691 V692 W750	S580-L582 WeakPolarHBondContact O-CD1 3.37Å; S580-L582 PolarHBondContact O-N 3.46Å; S580-L582 PolarHBondContact OG-N 3.23Å; L582-D584 PolarHBondContact O-N 3.47Å; L582-Y585 HydrophobicContact CD2-CD2 4.19Å; L582-Y585 WeakPolarHBondContact O-CB 3.46Å; L582-Y585 PolarHBondContact O-N 3.5Å; L582-Y585 VanDerWaalsContact O-N 3.14Å; L582-Y691 HydrophobicContact CD2-CD2 4.36Å; L582-V692 HydrophobicContact CD2-CG2 4.4Å; L582-W750 HydrophobicContact CB-CD2 4.2Å; L582-W750 HydrophobicContact CB-CG 4.17Å; L582-W750 HydrophobicContact CD2-CD2 4.35Å; L582-W750 HydrophobicContact CD2-CE3 3.9Å; L582-W750 HydrophobicContact CD2-CZ3 4.32Å; L582-W750 HydrophobicContact CG-CD2 4.1Å; L582-W750 HydrophobicContact CG-CE3 4.04Å; L582-W750 HydrophobicContact CG-CZ3 4.36Å
583	D	96.3	Very high	97.9	Very high	48 Å²	48	16.9 Å²	16.9	26%	0.257	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.4	-57.7	-162.6	-70.9	9	0	0	0	115.9	K576 T577 L578	K576-D583 CarbonylContact C-O 3.57Å; K576-D583 VanDerWaalsContact CA-O 3.27Å; K576-D583 WeakPolarHBondContact CA-O 3.47Å; K576-D583 VanDerWaalsContact CB-O 3.25Å; K576-D583 WeakPolarHBondContact CB-O 3.27Å; T577-D583 PolarHBondContact N-O 3.03Å; L578-D583 HydrophobicContact CD2-CB 3.7Å; L578-D583 WeakPolarHBondContact CD2-OD2 3.4Å
584	D	98.4	Very high	97.9	Very high	7 Å²	7	19 Å²	19	4%	0.037	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	10.9	-174.4	76.1	-30.6	0	0	0	113.6	L582 Y749 W750 R751	L582-D584 PolarHBondContact O-N 3.47Å; D584-Y749 WeakPolarHBondContact OD1-CB 3.25Å; D584-Y749 PolarHBondContact OD2-N 3.37Å; D584-W750 WeakPolarHBondContact OD1-CA 3.48Å; D584-W750 WeakPolarHBondContact OD1-CB 3.37Å; D584-W750 PolarHBondContact OD1-N 2.93Å; D584-R751 VanDerWaalsContact O-CZ 3.32Å; D584-R751 PolarHBondContact O-NE 3.47Å; D584-R751 PolarHBondContact O-NH2 3.39Å; D584-R751 VanDerWaalsContact OD2-CD 3.25Å; D584-R751 WeakPolarHBondContact OD2-CD 3.3Å; D584-R751 WeakPolarHBondContact OD2-CG 2.83Å; D584-R751 IonicContact OD2-CZ 3.79Å; D584-R751 IonicContact OD2-NE 2.68Å; D584-R751 PolarHBondContact OD2-NE 3.39Å
585	Y	98.8	Very high	97.9	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.012	11%	0.11	C	C	.	.			trans	-55.8	126.1	174.8	-170.5	-79.8	0	0	0	109.3	L582 R587 A688 G690 V692 S730 L731	L582-Y585 HydrophobicContact CD2-CD2 4.19Å; L582-Y585 WeakPolarHBondContact O-CB 3.46Å; L582-Y585 PolarHBondContact O-N 3.5Å; L582-Y585 VanDerWaalsContact O-N 3.14Å; Y585-R587 PolarHBondContact O-N 3.16Å; Y585-A688 HydrophobicContact CE1-CB 4.03Å; Y585-A688 PolarHBondContact OH-O 3.17Å; Y585-G690 VanDerWaalsContact OH-C 3.29Å; Y585-G690 WeakPolarHBondContact OH-CA 3.37Å; Y585-G690 PolarHBondContact OH-N 3.21Å; Y585-G690 VanDerWaalsContact OH-N 3.13Å; Y585-V692 HydrophobicContact CD1-CB 4.26Å; Y585-V692 HydrophobicContact CD1-CG2 3.57Å; Y585-V692 HydrophobicContact CD2-CG2 4.12Å; Y585-V692 HydrophobicContact CE1-CB 3.59Å; Y585-V692 HydrophobicContact CE1-CG2 3.42Å; Y585-V692 VanDerWaalsContact CE1-CG2 3.42Å; Y585-V692 HydrophobicContact CE2-CB 4.28Å; Y585-V692 HydrophobicContact CE2-CG2 3.93Å; Y585-V692 HydrophobicContact CG-CG2 3.93Å; Y585-V692 PolarHBondContact OH-N 2.82Å; Y585-S730 WeakPolarHBondContact CE2-O 3.23Å; Y585-L731 HydrophobicContact CD2-CD1 4.48Å; Y585-L731 HydrophobicContact CE2-CD1 3.92Å
586	P	98.6	Very high	98	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.115	C	C	.	.			trans	-64.1	123.7	-172.8	-19.2	30.8	0	0	0	112	A688 L731 F737	P586-A688 HydrophobicContact CB-CB 4.08Å; P586-A688 VanDerWaalsContact O-CB 3.24Å; P586-A688 WeakPolarHBondContact O-CB 3.5Å; P586-L731 HydrophobicContact CG-CD1 4.27Å; P586-L731 HydrophobicContact CG-CD2 3.88Å; P586-F737 HydrophobicContact CB-CB 4.29Å; P586-F737 HydrophobicContact CB-CD1 4.27Å; P586-F737 HydrophobicContact CB-CD2 3.69Å; P586-F737 HydrophobicContact CB-CE2 4.03Å; P586-F737 HydrophobicContact CB-CG 3.83Å; P586-F737 HydrophobicContact CB-CZ 4.46Å; P586-F737 HydrophobicContact CG-CB 3.45Å; P586-F737 VanDerWaalsContact CG-CB 3.45Å; P586-F737 HydrophobicContact CG-CD1 4.14Å; P586-F737 HydrophobicContact CG-CD2 3.81Å; P586-F737 HydrophobicContact CG-CG 3.54Å
587	R	98.8	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.			trans	-117.9	-165.1	170.6	-58.5	-167.4	-171.1	-105.3	6.9	110.8	N574 T577 S580 Y585 S589 D599 D654	N574-R587 PolarHBondContact ND2-O 2.88Å; N574-R587 PolarHBondContact OD1-N 3.17Å; N574-R587 VanDerWaalsContact OD1-N 3.14Å; T577-R587 WeakPolarHBondContact OG1-CD 3.32Å; T577-R587 PolarHBondContact OG1-NE 3.49Å; S580-R587 VanDerWaalsContact CB-NH2 3.27Å; S580-R587 PolarHBondContact OG-NH2 2.93Å; Y585-R587 PolarHBondContact O-N 3.16Å; R587-S589 PolarHBondContact O-N 2.81Å; R587-D599 IonicContact CZ-OD1 3.46Å; R587-D599 IonicContact CZ-OD2 3.15Å; R587-D599 IonicContact NH1-OD1 3.27Å; R587-D599 PolarHBondContact NH1-OD1 3.03Å; R587-D599 IonicContact NH1-OD2 2.71Å; R587-D599 IonicContact NH2-OD1 3.81Å; R587-D599 PolarHBondContact NH2-OD1 3.05Å; R587-D599 IonicContact NH2-OD2 2.74Å; R587-D599 PolarHBondContact NH2-OD2 3.43Å; R587-D654 WeakPolarHBondContact CD-OD2 3.19Å; R587-D654 WeakPolarHBondContact CG-OD2 3.41Å; R587-D654 IonicContact CZ-OD2 3.69Å; R587-D654 IonicContact NE-OD2 3.74Å; R587-D654 IonicContact NH1-OD1 2.8Å; R587-D654 IonicContact NH1-OD2 3.88Å; R587-D654 PolarHBondContact NH1-OD2 3.23Å
588	A	98.6	Very high	98	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	11%	0.107	C	C	.	.			trans	-50	132	176.5	0	0	0	0	0	110.6	R565 H590 E595 H658 V686	R565-A588 PolarHBondContact NH1-O 3.08Å; R565-A588 PolarHBondContact NH2-O 2.56Å; R565-A588 VanDerWaalsContact NH2-O 3.11Å; A588-H590 VanDerWaalsContact C-N 3.28Å; A588-H590 PolarHBondContact O-N 3.04Å; A588-E595 HydrophobicContact CB-CG 4.19Å; A588-H658 HydrophobicContact CB-CB 4.45Å; A588-V686 HydrophobicContact CB-CG2 4.1Å
589	S	97.8	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-74.7	-21.7	-170.1	59.3	0	0	0	0	112.6	R587 H658 T659 R674	R587-S589 PolarHBondContact O-N 2.81Å; S589-H658 PolarHBondContact N-ND1 3.09Å; S589-T659 PolarHBondContact OG-N 2.98Å; S589-T659 PolarHBondContact OG-O 2.87Å; S589-R674 VanDerWaalsContact O-CZ 3.29Å; S589-R674 PolarHBondContact O-NH1 3.38Å; S589-R674 PolarHBondContact O-NH2 3.09Å
590	H	98	Very high	98.2	Very high	42 Å²	42	16.7 Å²	16.7	19%	0.194	10%	0.096	C	C	.	.	S	Bend	trans	-121.4	94.7	175.3	-59.6	76.1	0	0	0	108.1	A588 N657 R674 P681	A588-H590 VanDerWaalsContact C-N 3.28Å; A588-H590 PolarHBondContact O-N 3.04Å; H590-N657 HydrophobicContact CB-CB 4.37Å; H590-N657 PolarHBondContact N-O 3.45Å; H590-N657 VanDerWaalsContact N-O 3.08Å; H590-R674 PolarHBondContact CE1-NH2 3.29Å; H590-R674 PolarHBondContact NE2-NH2 2.83Å; H590-R674 VanDerWaalsContact NE2-NH2 3.16Å; H590-P681 VanDerWaalsContact ND1-CB 3.34Å; H590-P681 WeakPolarHBondContact ND1-CB 3.46Å
591	P	97.6	Very high	98.2	Very high	41 Å²	41	16.8 Å²	16.8	27%	0.266	10%	0.097	S	C	.	.			trans	-56.3	143	-178	-24	32.3	0	0	0	112.2	P575 E595	P575-P591 HydrophobicContact CB-CG 3.79Å; P575-P591 HydrophobicContact CG-CG 3.65Å; P591-E595 WeakPolarHBondContact CA-OE1 3.44Å; P591-E595 WeakPolarHBondContact CB-OE1 3.41Å
592	S	96.3	Very high	98.2	Very high	36 Å²	36	16.5 Å²	16.5	25%	0.252	9%	0.094	S	C	.	.			trans	-161	162.7	-178.5	60.8	0	0	0	0	111.2	T594 E595	S592-T594 PolarHBondContact O-N 3.12Å; S592-T594 VanDerWaalsContact O-N 3.11Å; S592-T594 PolarHBondContact OG-OG1 3.2Å; S592-E595 PolarHBondContact N-OE1 3.34Å; S592-E595 WeakPolarHBondContact O-CG 3.37Å; S592-E595 PolarHBondContact O-N 3.31Å; S592-E595 VanDerWaalsContact O-OE1 3.11Å
593	V	96.3	Very high	98.3	Very high	78 Å²	78	16.7 Å²	16.7	47%	0.473	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.9	178.1	-61.2	0	0	0	0	113.8	E418 E595	E418-V593 VanDerWaalsContact OE2-CG1 3.22Å; E418-V593 WeakPolarHBondContact OE2-CG1 3.35Å; V593-E595 VanDerWaalsContact C-N 3.3Å; V593-E595 PolarHBondContact O-N 2.61Å
594	T	97.8	Very high	98.4	Very high	53 Å²	53	14.4 Å²	14.4	33%	0.325	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.7	-179.6	57.5	0	0	0	0	114	S592 L683	S592-T594 PolarHBondContact O-N 3.12Å; S592-T594 VanDerWaalsContact O-N 3.11Å; S592-T594 PolarHBondContact OG-OG1 3.2Å; T594-L683 WeakPolarHBondContact OG1-CD2 3.28Å
595	E	98.8	Very high	98.4	Very high	4 Å²	4	14 Å²	14	2%	0.019	8%	0.081	C	C	.	.			trans	-66.9	148.4	178.7	-67.2	174.9	-104.5	0	0	112.4	P555 R561 R565 A588 P591 S592 V593 H597 F655	P555-E595 VanDerWaalsContact CD-O 3.31Å; P555-E595 WeakPolarHBondContact CD-O 3.44Å; R561-E595 HydrophobicContact CG-CB 4.07Å; R565-E595 IonicContact CZ-OE2 3.33Å; R565-E595 IonicContact NH1-OE1 3.76Å; R565-E595 IonicContact NH1-OE2 2.7Å; R565-E595 PolarHBondContact NH1-OE2 2.87Å; A588-E595 HydrophobicContact CB-CG 4.19Å; P591-E595 WeakPolarHBondContact CA-OE1 3.44Å; P591-E595 WeakPolarHBondContact CB-OE1 3.41Å; S592-E595 PolarHBondContact N-OE1 3.34Å; S592-E595 WeakPolarHBondContact O-CG 3.37Å; S592-E595 PolarHBondContact O-N 3.31Å; S592-E595 VanDerWaalsContact O-OE1 3.11Å; V593-E595 VanDerWaalsContact C-N 3.3Å; V593-E595 PolarHBondContact O-N 2.61Å; E595-H597 IonicContact OE2-NE2 2.7Å; E595-H597 PolarHBondContact OE2-NE2 3.42Å; E595-F655 VanDerWaalsContact CA-O 3.23Å; E595-F655 WeakPolarHBondContact CA-O 3.49Å
596	R	98.9	Very high	98.4	Very high	30 Å²	30	14.7 Å²	14.7	11%	0.113	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-128.4	124.7	170.4	-56	-172.3	-63.6	-87.4	6.1	108.6	P555 L643 D654 F655	P555-R596 HydrophobicContact CG-CG 4.12Å; R596-L643 PolarHBondContact NE-O 2.8Å; R596-L643 PolarHBondContact NH2-O 3.4Å; R596-D654 WeakPolarHBondContact O-CA 3.39Å; R596-F655 HydrophobicContact CB-CB 4.28Å; R596-F655 PolarHBondContact N-O 2.87Å; R596-F655 PolarHBondContact O-N 3.01Å
597	H	98.9	Very high	98.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.084	C	C	.	.			trans	-107.4	117.4	-175.6	-62.1	150.1	0	0	0	111.1	Y560 W562 E595 L600 R601 D654	Y560-H597 PolarHBondContact O-N 3.5Å; W562-H597 WeakPolarHBondContact CB-ND1 2.97Å; W562-H597 AromaticContact CD1-CG 3.73Å; W562-H597 AromaticContact CD1-ND1 3.31Å; W562-H597 VanDerWaalsContact CD1-ND1 3.31Å; W562-H597 AromaticContact CG-ND1 3.66Å; W562-H597 PolarHBondContact N-ND1 3.41Å; E595-H597 IonicContact OE2-NE2 2.7Å; E595-H597 PolarHBondContact OE2-NE2 3.42Å; H597-L600 HydrophobicContact CB-CB 4.26Å; H597-R601 PolarHBondContact O-N 2.93Å; H597-D654 VanDerWaalsContact CA-OD1 3.32Å; H597-D654 WeakPolarHBondContact CA-OD1 3.35Å; H597-D654 IonicContact CD2-OD2 3.93Å
598	L	98.9	Very high	98.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-48.8	-173.1	170.3	61.1	0	0	0	112.3	L600 R601 C602 L640 H644 F652 D654 V692 P696	L598-L600 VanDerWaalsContact C-N 3.31Å; L598-L600 PolarHBondContact O-N 3.22Å; L598-R601 PolarHBondContact O-N 3.21Å; L598-C602 PolarHBondContact O-N 3.25Å; L598-C602 PolarHBondContact O-SG 3.25Å; L598-L640 HydrophobicContact CD1-CD1 4.01Å; L598-H644 HydrophobicContact CD1-CB 3.9Å; L598-F652 HydrophobicContact CD1-CB 4.18Å; L598-F652 HydrophobicContact CD2-CB 3.43Å; L598-F652 VanDerWaalsContact CD2-CB 3.43Å; L598-F652 HydrophobicContact CG-CB 4.46Å; L598-D654 PolarHBondContact N-OD1 2.98Å; L598-V692 HydrophobicContact CB-CG1 4.11Å; L598-V692 HydrophobicContact CD2-CG1 4.35Å; L598-V692 WeakPolarHBondContact CD2-O 3.32Å; L598-P696 HydrophobicContact CD1-CG 3.96Å
599	D	98.9	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.1	-44.7	-179.6	57.7	-39.7	0	0	0	111.6	W562 R587 C602 W603 V692 F695	W562-D599 PolarHBondContact NE1-OD1 3.13Å; W562-D599 PolarHBondContact NE1-OD2 3.09Å; R587-D599 IonicContact CZ-OD1 3.46Å; R587-D599 IonicContact CZ-OD2 3.15Å; R587-D599 IonicContact NH1-OD1 3.27Å; R587-D599 PolarHBondContact NH1-OD1 3.03Å; R587-D599 IonicContact NH1-OD2 2.71Å; R587-D599 IonicContact NH2-OD1 3.81Å; R587-D599 PolarHBondContact NH2-OD1 3.05Å; R587-D599 IonicContact NH2-OD2 2.74Å; R587-D599 PolarHBondContact NH2-OD2 3.43Å; D599-C602 PolarHBondContact O-N 3.48Å; D599-W603 PolarHBondContact O-N 2.95Å; D599-V692 HydrophobicContact CB-CG1 4.27Å; D599-F695 HydrophobicContact CB-CD1 3.86Å; D599-F695 HydrophobicContact CB-CD2 3.79Å; D599-F695 HydrophobicContact CB-CE1 3.89Å; D599-F695 HydrophobicContact CB-CE2 3.79Å; D599-F695 HydrophobicContact CB-CG 3.8Å; D599-F695 HydrophobicContact CB-CZ 3.83Å
600	L	98.9	Very high	98.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.2	-43.6	177.6	-179.4	55.9	0	0	0	112.4	L548 Q552 Y560 W562 H597 L598 C602 W603 V604	L548-L600 HydrophobicContact CD1-CD1 4.19Å; Q552-L600 HydrophobicContact CB-CD2 3.73Å; Q552-L600 HydrophobicContact CG-CD2 4.46Å; Y560-L600 HydrophobicContact CG-CG 4.33Å; W562-L600 HydrophobicContact CD2-CB 4.21Å; W562-L600 HydrophobicContact CD2-CD1 4.29Å; W562-L600 HydrophobicContact CD2-CD2 3.86Å; W562-L600 HydrophobicContact CD2-CG 4.34Å; W562-L600 HydrophobicContact CE3-CD1 4.18Å; W562-L600 HydrophobicContact CE3-CD2 4.14Å; W562-L600 HydrophobicContact CG-CD2 4.12Å; W562-L600 HydrophobicContact CH2-CD1 3.62Å; W562-L600 HydrophobicContact CZ2-CB 3.85Å; W562-L600 HydrophobicContact CZ2-CD1 3.72Å; W562-L600 HydrophobicContact CZ2-CG 4.24Å; W562-L600 HydrophobicContact CZ3-CD1 3.86Å; H597-L600 HydrophobicContact CB-CB 4.26Å; L598-L600 VanDerWaalsContact C-N 3.31Å; L598-L600 PolarHBondContact O-N 3.22Å; L600-C602 PolarHBondContact O-N 3.46Å; L600-W603 PolarHBondContact O-N 2.92Å; L600-V604 HydrophobicContact CD1-CG2 4.22Å; L600-V604 WeakPolarHBondContact O-CG2 3.4Å; L600-V604 PolarHBondContact O-N 3.01Å
601	R	98.9	Very high	98.5	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-42.5	175.5	-174.8	-174.3	-178.1	-74.3	3.8	110.8	L558 Y560 H597 L598 V604 A605 L634 S639	L558-R601 PolarHBondContact O-NE 3.03Å; Y560-R601 HydrophobicContact CD2-CB 3.87Å; Y560-R601 HydrophobicContact CD2-CG 3.95Å; Y560-R601 HydrophobicContact CE2-CG 4.18Å; H597-R601 PolarHBondContact O-N 2.93Å; L598-R601 PolarHBondContact O-N 3.21Å; R601-V604 PolarHBondContact O-N 3.28Å; R601-A605 PolarHBondContact O-N 3.43Å; R601-L634 HydrophobicContact CG-CD2 4.34Å; R601-L634 PolarHBondContact NH1-O 2.82Å; R601-L634 PolarHBondContact NH2-O 2.92Å; R601-S639 PolarHBondContact NH2-OG 3.46Å; R601-S639 VanDerWaalsContact NH2-OG 3.07Å
602	C	98.9	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.1	-39.7	178.9	-60.9	0	0	0	0	112.1	L598 D599 L600 A605 L606 F695 L699 L701	L598-C602 PolarHBondContact O-N 3.25Å; L598-C602 PolarHBondContact O-SG 3.25Å; D599-C602 PolarHBondContact O-N 3.48Å; L600-C602 PolarHBondContact O-N 3.46Å; C602-A605 PolarHBondContact O-N 3.4Å; C602-L606 PolarHBondContact O-N 3.01Å; C602-F695 HydrophobicContact CB-CB 3.88Å; C602-F695 HydrophobicContact CB-CD1 4.28Å; C602-L699 HydrophobicContact CB-CD1 3.93Å; C602-L701 HydrophobicContact CB-CD1 3.63Å
603	W	98.9	Very high	98.6	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.019	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-40.6	173.8	-77.7	123.7	0	0	0	113.1	P512 P513 T514 D599 L600 L606 G607 F695 L699 L761	P512-W603 HydrophobicContact CB-CD2 4.15Å; P512-W603 HydrophobicContact CB-CG 4.39Å; P512-W603 HydrophobicContact CB-CZ2 4.07Å; P513-W603 HydrophobicContact CG-CB 4.13Å; P513-W603 HydrophobicContact CG-CE3 4.33Å; T514-W603 HydrophobicContact CG2-CH2 3.89Å; T514-W603 HydrophobicContact CG2-CZ2 4.28Å; T514-W603 HydrophobicContact CG2-CZ3 4.35Å; D599-W603 PolarHBondContact O-N 2.95Å; L600-W603 PolarHBondContact O-N 2.92Å; W603-L606 HydrophobicContact CE3-CD2 3.95Å; W603-L606 HydrophobicContact CZ3-CD2 3.76Å; W603-G607 PolarHBondContact O-N 3.38Å; W603-F695 AromaticContact CE2-CE1 3.62Å; W603-F695 AromaticContact CZ2-CE1 3.79Å; W603-F695 HydrophobicContact CZ2-CE1 3.79Å; W603-F695 AromaticContact NE1-CE1 3.31Å; W603-F695 VanDerWaalsContact NE1-CE1 3.31Å; W603-L699 HydrophobicContact CD2-CD1 3.89Å; W603-L699 HydrophobicContact CE3-CD1 3.68Å; W603-L699 HydrophobicContact CE3-CD2 4.45Å; W603-L699 HydrophobicContact CG-CD1 4.46Å; W603-L699 HydrophobicContact CH2-CD1 4.38Å; W603-L699 HydrophobicContact CH2-CD2 3.88Å; W603-L699 HydrophobicContact CZ3-CD1 3.94Å; W603-L699 HydrophobicContact CZ3-CD2 3.85Å; W603-L761 HydrophobicContact CH2-CD1 4.33Å
604	V	98.9	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.2	-37	177	-177.8	0	0	0	0	111.1	F545 L548 H549 Y560 L600 R601 G607 A608 L634	F545-V604 HydrophobicContact CE2-CG1 3.93Å; F545-V604 WeakPolarHBondContact CE2-O 3.42Å; F545-V604 HydrophobicContact CZ-CG1 3.86Å; L548-V604 HydrophobicContact CD2-CG2 4.26Å; L548-V604 HydrophobicContact CG-CG2 4.34Å; H549-V604 HydrophobicContact CB-CG1 4.38Å; Y560-V604 HydrophobicContact CD1-CG2 3.96Å; Y560-V604 HydrophobicContact CD2-CB 4.47Å; Y560-V604 HydrophobicContact CD2-CG2 4.43Å; Y560-V604 HydrophobicContact CE1-CB 4.19Å; Y560-V604 HydrophobicContact CE1-CG1 3.87Å; Y560-V604 HydrophobicContact CE1-CG2 3.89Å; Y560-V604 HydrophobicContact CE2-CB 4.02Å; Y560-V604 HydrophobicContact CE2-CG1 4.1Å; Y560-V604 HydrophobicContact CE2-CG2 4.35Å; Y560-V604 HydrophobicContact CG-CG2 4.24Å; Y560-V604 VanDerWaalsContact CZ-CG1 3.5Å; Y560-V604 VanDerWaalsContact OH-CG1 3.29Å; Y560-V604 WeakPolarHBondContact OH-CG1 3.42Å; L600-V604 HydrophobicContact CD1-CG2 4.22Å; L600-V604 WeakPolarHBondContact O-CG2 3.4Å; L600-V604 PolarHBondContact O-N 3.01Å; R601-V604 PolarHBondContact O-N 3.28Å; V604-G607 PolarHBondContact O-N 3.33Å; V604-A608 WeakPolarHBondContact O-CB 3.49Å; V604-A608 PolarHBondContact O-N 2.67Å; V604-L634 HydrophobicContact CG1-CD1 3.89Å
605	A	98.9	Very high	98.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.9	-49.8	173.7	0	0	0	0	0	111.7	R601 C602 G607 A608 R609 L634 L701	R601-A605 PolarHBondContact O-N 3.43Å; C602-A605 PolarHBondContact O-N 3.4Å; A605-G607 PolarHBondContact O-N 2.97Å; A605-A608 PolarHBondContact O-N 2.82Å; A605-R609 PolarHBondContact O-N 3.14Å; A605-L634 HydrophobicContact CB-CB 3.8Å; A605-L634 HydrophobicContact CB-CD1 4.47Å; A605-L701 HydrophobicContact CB-CD1 3.99Å; A605-L701 HydrophobicContact CB-CD2 4.08Å
606	L	98.7	Very high	98.6	Very high	16 Å²	16	16 Å²	16	8%	0.084	7%	0.072	C	C	.	.	H	α-helix	trans	-58.6	-46.8	175.6	176.6	67.9	0	0	0	111.6	L517 C602 W603 A608 R609 V610 L699	L517-L606 HydrophobicContact CD2-CD2 3.76Å; C602-L606 PolarHBondContact O-N 3.01Å; W603-L606 HydrophobicContact CE3-CD2 3.95Å; W603-L606 HydrophobicContact CZ3-CD2 3.76Å; L606-A608 PolarHBondContact O-N 2.84Å; L606-R609 VanDerWaalsContact CD1-NH2 3.27Å; L606-R609 PolarHBondContact O-N 3.34Å; L606-V610 HydrophobicContact CD1-CG2 4.03Å; L606-V610 HydrophobicContact CG-CG2 4.35Å; L606-V610 WeakPolarHBondContact O-CG2 3.49Å; L606-V610 PolarHBondContact O-N 3.19Å; L606-L699 HydrophobicContact CB-CD1 4.28Å; L606-L699 HydrophobicContact CD2-CD1 4.22Å; L606-L699 HydrophobicContact CD2-CD2 4.21Å
607	G	98.7	Very high	98.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-41.6	-179.9	0	0	0	0	0	112.9	F545 W603 V604 A605 V610 L611	F545-G607 VanDerWaalsContact CE2-C 3.45Å; W603-G607 PolarHBondContact O-N 3.38Å; V604-G607 PolarHBondContact O-N 3.33Å; A605-G607 PolarHBondContact O-N 2.97Å; G607-V610 PolarHBondContact O-N 2.93Å; G607-L611 WeakPolarHBondContact O-CB 3.29Å; G607-L611 WeakPolarHBondContact O-CG 3.18Å; G607-L611 PolarHBondContact O-N 3.3Å
608	A	98.8	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-46.4	175.9	0	0	0	0	0	111.1	F545 V604 A605 L606 T612 L630 A631 L634	F545-A608 HydrophobicContact CE1-CB 4.41Å; F545-A608 HydrophobicContact CE2-CB 4.42Å; F545-A608 VanDerWaalsContact CE2-N 3.31Å; F545-A608 HydrophobicContact CZ-CB 3.73Å; V604-A608 WeakPolarHBondContact O-CB 3.49Å; V604-A608 PolarHBondContact O-N 2.67Å; A605-A608 PolarHBondContact O-N 2.82Å; L606-A608 PolarHBondContact O-N 2.84Å; A608-T612 WeakPolarHBondContact O-CB 3.41Å; A608-T612 PolarHBondContact O-N 3.04Å; A608-T612 PolarHBondContact O-OG1 2.94Å; A608-L630 HydrophobicContact CB-CD2 4.47Å; A608-L630 HydrophobicContact CB-CG 4.36Å; A608-A631 HydrophobicContact CB-CB 3.78Å; A608-L634 HydrophobicContact CB-CD1 4.35Å
609	R	98.5	Very high	98.1	Very high	51 Å²	51	22.7 Å²	22.7	19%	0.192	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-53	176.9	175.3	175.9	58.6	-148.6	11.1	111.9	A605 L606 L611 T612 Q613 E635 L699 R700	A605-R609 PolarHBondContact O-N 3.14Å; L606-R609 VanDerWaalsContact CD1-NH2 3.27Å; L606-R609 PolarHBondContact O-N 3.34Å; R609-L611 VanDerWaalsContact C-N 3.34Å; R609-L611 PolarHBondContact O-N 2.97Å; R609-T612 PolarHBondContact O-N 3.09Å; R609-Q613 WeakPolarHBondContact O-CG 3.43Å; R609-Q613 PolarHBondContact O-N 3.22Å; R609-E635 VanDerWaalsContact CD-OE1 3.24Å; R609-E635 WeakPolarHBondContact CD-OE1 3.42Å; R609-E635 IonicContact CZ-OE1 3.3Å; R609-E635 IonicContact NE-OE1 3.91Å; R609-E635 IonicContact NH1-OE1 3.59Å; R609-E635 PolarHBondContact NH1-OE1 3.36Å; R609-L699 PolarHBondContact NH2-O 3.36Å; R609-R700 PolarHBondContact NH1-O 3.1Å
610	V	98.5	Very high	97.9	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-44.4	-177.2	171.4	0	0	0	0	111.1	L516 V519 A520 L606 G607 Q613 L614	L516-V610 HydrophobicContact CB-CG1 4.45Å; V519-V610 HydrophobicContact CG1-CG1 4.16Å; A520-V610 HydrophobicContact CB-CG1 4.23Å; A520-V610 HydrophobicContact CB-CG2 3.93Å; L606-V610 HydrophobicContact CD1-CG2 4.03Å; L606-V610 HydrophobicContact CG-CG2 4.35Å; L606-V610 WeakPolarHBondContact O-CG2 3.49Å; L606-V610 PolarHBondContact O-N 3.19Å; G607-V610 PolarHBondContact O-N 2.93Å; V610-Q613 PolarHBondContact O-N 2.99Å; V610-L614 WeakPolarHBondContact O-CB 3.33Å; V610-L614 PolarHBondContact O-N 3.36Å
611	L	98.6	Very high	97.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-74.2	-29.1	-179.8	-68.1	-173.2	0	0	0	113.6	L516 L541 F545 G607 R609 L614 A615 L627	L516-L611 HydrophobicContact CD2-CD2 4.3Å; L541-L611 HydrophobicContact CB-CD2 4.04Å; F545-L611 HydrophobicContact CB-CD1 3.26Å; F545-L611 HydrophobicContact CD1-CD1 3.88Å; F545-L611 HydrophobicContact CD2-CD1 4.3Å; F545-L611 HydrophobicContact CG-CD1 3.54Å; G607-L611 WeakPolarHBondContact O-CB 3.29Å; G607-L611 WeakPolarHBondContact O-CG 3.18Å; G607-L611 PolarHBondContact O-N 3.3Å; R609-L611 VanDerWaalsContact C-N 3.34Å; R609-L611 PolarHBondContact O-N 2.97Å; L611-L614 HydrophobicContact CD2-CD2 4.28Å; L611-A615 VanDerWaalsContact O-CB 3.23Å; L611-A615 WeakPolarHBondContact O-CB 3.49Å; L611-A615 PolarHBondContact O-N 3.15Å; L611-L627 HydrophobicContact CB-CD1 3.67Å; L611-L627 HydrophobicContact CD1-CD1 4.45Å
612	T	98.6	Very high	97.6	Very high	11 Å²	11	38.1 Å²	38.1	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-50.8	171.1	-58.3	0	0	0	0	110.1	A608 R609 L614 A615 E616 L627 G628	A608-T612 WeakPolarHBondContact O-CB 3.41Å; A608-T612 PolarHBondContact O-N 3.04Å; A608-T612 PolarHBondContact O-OG1 2.94Å; R609-T612 PolarHBondContact O-N 3.09Å; T612-L614 VanDerWaalsContact C-N 3.29Å; T612-L614 PolarHBondContact O-N 2.77Å; T612-A615 WeakPolarHBondContact O-CB 3.37Å; T612-A615 PolarHBondContact O-N 3.34Å; T612-A615 VanDerWaalsContact O-N 3.14Å; T612-E616 WeakPolarHBondContact O-CG 3.41Å; T612-E616 PolarHBondContact O-N 2.78Å; T612-L627 VanDerWaalsContact OG1-C 3.3Å; T612-L627 WeakPolarHBondContact OG1-CB 3.25Å; T612-L627 PolarHBondContact OG1-O 3.32Å; T612-G628 PolarHBondContact OG1-N 3.45Å
613	Q	98.1	Very high	97.3	Very high	90 Å²	90	39.1 Å²	39.1	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-41.7	177.8	-69.3	172.9	-9	0	0	111.7	L523 R609 V610 H617	L523-Q613 HydrophobicContact CD2-CB 3.75Å; R609-Q613 WeakPolarHBondContact O-CG 3.43Å; R609-Q613 PolarHBondContact O-N 3.22Å; V610-Q613 PolarHBondContact O-N 2.99Å; Q613-H617 WeakPolarHBondContact O-CB 3.41Å; Q613-H617 PolarHBondContact O-N 3.08Å
614	L	97.9	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-42.7	176.4	-177.3	57.3	0	0	0	112.1	V519 L523 L534 F538 L541 V610 L611 T612 H617 L618	V519-L614 HydrophobicContact CG1-CD2 4.13Å; L523-L614 HydrophobicContact CD1-CD1 4.15Å; L523-L614 HydrophobicContact CD2-CB 4.27Å; L534-L614 HydrophobicContact CB-CD1 4.07Å; L534-L614 HydrophobicContact CD1-CD1 3.96Å; L534-L614 HydrophobicContact CD2-CD2 4.5Å; F538-L614 HydrophobicContact CD2-CD2 3.83Å; F538-L614 HydrophobicContact CD2-CG 3.88Å; F538-L614 HydrophobicContact CE2-CD2 4.47Å; F538-L614 HydrophobicContact CE2-CG 4.27Å; L541-L614 HydrophobicContact CD1-CD2 4.14Å; V610-L614 WeakPolarHBondContact O-CB 3.33Å; V610-L614 PolarHBondContact O-N 3.36Å; L611-L614 HydrophobicContact CD2-CD2 4.28Å; T612-L614 VanDerWaalsContact C-N 3.29Å; T612-L614 PolarHBondContact O-N 2.77Å; L614-H617 PolarHBondContact O-N 2.88Å; L614-L618 HydrophobicContact CD1-CD1 3.77Å; L614-L618 HydrophobicContact CD1-CG 3.95Å; L614-L618 HydrophobicContact CG-CD1 3.89Å; L614-L618 HydrophobicContact CG-CG 4.41Å; L614-L618 WeakPolarHBondContact O-CB 3.31Å; L614-L618 VanDerWaalsContact O-CG 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.48Å; L614-L618 PolarHBondContact O-N 3.44Å
615	A	98	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-46.4	177.8	0	0	0	0	0	111.4	F538 L611 T612 H617 L618 G619 E620 V623 A624	F538-A615 HydrophobicContact CE2-CB 3.86Å; F538-A615 HydrophobicContact CZ-CB 3.6Å; L611-A615 VanDerWaalsContact O-CB 3.23Å; L611-A615 WeakPolarHBondContact O-CB 3.49Å; L611-A615 PolarHBondContact O-N 3.15Å; T612-A615 WeakPolarHBondContact O-CB 3.37Å; T612-A615 PolarHBondContact O-N 3.34Å; T612-A615 VanDerWaalsContact O-N 3.14Å; A615-H617 PolarHBondContact O-N 3.22Å; A615-L618 PolarHBondContact O-N 2.73Å; A615-G619 PolarHBondContact O-N 3.46Å; A615-E620 HydrophobicContact CB-CB 4.08Å; A615-E620 PolarHBondContact O-N 2.88Å; A615-V623 HydrophobicContact CB-CB 4.41Å; A615-V623 HydrophobicContact CB-CG1 4.4Å; A615-A624 HydrophobicContact CB-CB 3.92Å
616	E	97.2	Very high	96.8	Very high	127 Å²	127	48.4 Å²	48.4	59%	0.593	27%	0.271	S	S	*	.	H	α-helix	trans	-59.3	-46.6	176.2	-71	173.6	165.9	0	0	111.4	T612 L618 G619 A624	T612-E616 WeakPolarHBondContact O-CG 3.41Å; T612-E616 PolarHBondContact O-N 2.78Å; E616-L618 VanDerWaalsContact C-N 3.32Å; E616-L618 PolarHBondContact O-N 2.76Å; E616-G619 PolarHBondContact O-N 2.84Å; E616-A624 HydrophobicContact CG-CB 3.93Å
617	H	96.1	Very high	96.7	Very high	100 Å²	100	47.8 Å²	47.8	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-35.7	179.4	-169.1	92.1	0	0	0	112.9	L523 L531 Q613 L614 A615	L523-H617 HydrophobicContact CD1-CB 3.77Å; L531-H617 WeakPolarHBondContact CD2-NE2 3.25Å; Q613-H617 WeakPolarHBondContact O-CB 3.41Å; Q613-H617 PolarHBondContact O-N 3.08Å; L614-H617 PolarHBondContact O-N 2.88Å; A615-H617 PolarHBondContact O-N 3.22Å
618	L	94.9	Very high	96.6	Very high	11 Å²	11	48.7 Å²	48.7	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-82.9	-13.5	-179.7	-67.6	177.7	0	0	0	113.9	R535 F538 L614 A615 E616 E620	R535-L618 HydrophobicContact CB-CD2 3.88Å; R535-L618 HydrophobicContact CG-CD2 4.31Å; R535-L618 PolarHBondContact NH1-O 3.09Å; F538-L618 HydrophobicContact CB-CD1 3.76Å; F538-L618 HydrophobicContact CD2-CD1 3.93Å; F538-L618 HydrophobicContact CG-CD1 3.9Å; L614-L618 HydrophobicContact CD1-CD1 3.77Å; L614-L618 HydrophobicContact CD1-CG 3.95Å; L614-L618 HydrophobicContact CG-CD1 3.89Å; L614-L618 HydrophobicContact CG-CG 4.41Å; L614-L618 WeakPolarHBondContact O-CB 3.31Å; L614-L618 VanDerWaalsContact O-CG 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.48Å; L614-L618 PolarHBondContact O-N 3.44Å; A615-L618 PolarHBondContact O-N 2.73Å; E616-L618 VanDerWaalsContact C-N 3.32Å; E616-L618 PolarHBondContact O-N 2.76Å; L618-E620 HydrophobicContact CB-CG 4Å
619	G	95.4	Very high	96.6	Very high	61 Å²	61	52.4 Å²	52.4	63%	0.629	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	20.9	-175.3	0	0	0	0	0	114.2	A615 E616 A621	A615-G619 PolarHBondContact O-N 3.46Å; E616-G619 PolarHBondContact O-N 2.84Å; G619-A621 VanDerWaalsContact C-N 3.28Å; G619-A621 PolarHBondContact O-N 3.07Å
620	E	95.3	Very high	96.5	Very high	76 Å²	76	51.2 Å²	51.2	36%	0.355	30%	0.299	S	S	.	.			trans	-84.5	66.3	-178.4	-63.3	-71.4	169.5	0	0	110.6	F538 A615 L618 E622 V623 A624	F538-E620 HydrophobicContact CD1-CB 4.46Å; F538-E620 HydrophobicContact CD1-CG 3.78Å; F538-E620 HydrophobicContact CE1-CB 3.69Å; F538-E620 HydrophobicContact CE1-CG 3.5Å; F538-E620 HydrophobicContact CZ-CB 3.94Å; F538-E620 HydrophobicContact CZ-CG 4.09Å; A615-E620 HydrophobicContact CB-CB 4.08Å; A615-E620 PolarHBondContact O-N 2.88Å; L618-E620 HydrophobicContact CB-CG 4Å; E620-E622 VanDerWaalsContact C-N 3.34Å; E620-E622 PolarHBondContact O-N 2.81Å; E620-V623 HydrophobicContact CB-CB 4.47Å; E620-V623 PolarHBondContact O-N 2.89Å; E620-V623 VanDerWaalsContact O-N 3.16Å; E620-A624 PolarHBondContact O-N 2.86Å
621	A	94.7	Very high	96.5	Very high	74 Å²	74	51.4 Å²	51.4	61%	0.612	30%	0.3	S	S	*	.	H	α-helix	trans	-58.4	-37.2	-167.3	0	0	0	0	0	114.6	G619 A625	G619-A621 VanDerWaalsContact C-N 3.28Å; G619-A621 PolarHBondContact O-N 3.07Å; A621-A625 WeakPolarHBondContact O-CB 3.27Å; A621-A625 PolarHBondContact O-N 3.08Å
622	E	95.1	Very high	96.5	Very high	175 Å²	175	54.3 Å²	54.3	82%	0.818	32%	0.324	S	S	*	.	H	α-helix	trans	-66.2	-43.7	178.6	-65.9	-175.1	174	0	0	111.5	E620 A625 E626	E620-E622 VanDerWaalsContact C-N 3.34Å; E620-E622 PolarHBondContact O-N 2.81Å; E622-A625 PolarHBondContact O-N 3.21Å; E622-E626 PolarHBondContact O-N 3.17Å
623	V	93.9	Very high	96.4	Very high	21 Å²	21	56.3 Å²	56.3	13%	0.127	34%	0.339	C	S	.	.	H	α-helix	trans	-71.4	-37.9	179.2	-177.4	0	0	0	0	110.8	F538 A615 E620 A625 E626 L627	F538-V623 HydrophobicContact CE1-CB 4.17Å; F538-V623 HydrophobicContact CE1-CG1 4.17Å; F538-V623 HydrophobicContact CE1-CG2 4.06Å; F538-V623 HydrophobicContact CZ-CB 3.94Å; F538-V623 HydrophobicContact CZ-CG1 3.62Å; F538-V623 HydrophobicContact CZ-CG2 4.32Å; A615-V623 HydrophobicContact CB-CB 4.41Å; A615-V623 HydrophobicContact CB-CG1 4.4Å; E620-V623 HydrophobicContact CB-CB 4.47Å; E620-V623 PolarHBondContact O-N 2.89Å; E620-V623 VanDerWaalsContact O-N 3.16Å; V623-A625 VanDerWaalsContact C-N 3.31Å; V623-A625 PolarHBondContact O-N 2.84Å; V623-E626 PolarHBondContact O-N 2.68Å; V623-L627 HydrophobicContact CG1-CD1 3.67Å; V623-L627 HydrophobicContact CG1-CG 4.02Å; V623-L627 WeakPolarHBondContact O-CB 3.37Å; V623-L627 WeakPolarHBondContact O-CG 3.29Å; V623-L627 PolarHBondContact O-N 3.29Å
624	A	95.9	Very high	96.4	Very high	14 Å²	14	52.1 Å²	52.1	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-41.5	172.8	0	0	0	0	0	111.6	A615 E616 E620 E626 G628	A615-A624 HydrophobicContact CB-CB 3.92Å; E616-A624 HydrophobicContact CG-CB 3.93Å; E620-A624 PolarHBondContact O-N 2.86Å; A624-E626 VanDerWaalsContact C-N 3.31Å; A624-E626 PolarHBondContact O-N 3.25Å; A624-G628 WeakPolarHBondContact O-CA 3.14Å; A624-G628 PolarHBondContact O-N 3.15Å
625	A	95.4	Very high	96.4	Very high	72 Å²	72	55.3 Å²	55.3	60%	0.595	33%	0.334	S	S	*	.	H	α-helix	trans	-68.4	-27.2	176.8	0	0	0	0	0	113.5	A621 E622 V623 P629	A621-A625 WeakPolarHBondContact O-CB 3.27Å; A621-A625 PolarHBondContact O-N 3.08Å; E622-A625 PolarHBondContact O-N 3.21Å; V623-A625 VanDerWaalsContact C-N 3.31Å; V623-A625 PolarHBondContact O-N 2.84Å; A625-P629 WeakPolarHBondContact O-CD 3.36Å; A625-P629 WeakPolarHBondContact O-CG 3.29Å
626	E	94.3	Very high	96.3	Very high	113 Å²	113	57 Å²	57	53%	0.528	35%	0.348	S	S	.	.	H	α-helix	trans	-76.8	-51.7	173.1	-177.3	-175.2	165	0	0	112	E622 V623 A624	E622-E626 PolarHBondContact O-N 3.17Å; V623-E626 PolarHBondContact O-N 2.68Å; A624-E626 VanDerWaalsContact C-N 3.31Å; A624-E626 PolarHBondContact O-N 3.25Å
627	L	96	Very high	96.2	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-81.4	-29.8	-171	-64.7	-177	0	0	0	113.5	F545 L611 T612 V623 L630 A631	F545-L627 HydrophobicContact CD1-CD2 4.12Å; F545-L627 HydrophobicContact CE1-CD2 3.76Å; L611-L627 HydrophobicContact CB-CD1 3.67Å; L611-L627 HydrophobicContact CD1-CD1 4.45Å; T612-L627 VanDerWaalsContact OG1-C 3.3Å; T612-L627 WeakPolarHBondContact OG1-CB 3.25Å; T612-L627 PolarHBondContact OG1-O 3.32Å; V623-L627 HydrophobicContact CG1-CD1 3.67Å; V623-L627 HydrophobicContact CG1-CG 4.02Å; V623-L627 WeakPolarHBondContact O-CB 3.37Å; V623-L627 WeakPolarHBondContact O-CG 3.29Å; V623-L627 PolarHBondContact O-N 3.29Å; L627-L630 HydrophobicContact CD2-CD2 4.48Å; L627-L630 WeakPolarHBondContact O-CB 3.47Å; L627-L630 PolarHBondContact O-N 2.77Å; L627-L630 VanDerWaalsContact O-N 3.15Å; L627-A631 PolarHBondContact O-N 3.18Å
628	G	97.3	Very high	96.2	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	-57.4	-51.7	-179.3	0	0	0	0	0	113.4	T612 A624 L630 A631 A632	T612-G628 PolarHBondContact OG1-N 3.45Å; A624-G628 WeakPolarHBondContact O-CA 3.14Å; A624-G628 PolarHBondContact O-N 3.15Å; G628-L630 VanDerWaalsContact C-N 3.28Å; G628-L630 PolarHBondContact O-N 3.5Å; G628-A631 PolarHBondContact O-N 3.12Å; G628-A632 PolarHBondContact O-N 2.92Å
629	P	98	Very high	96.3	Very high	78 Å²	78	56 Å²	56	51%	0.506	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-34.8	175	-25.7	35.5	0	0	0	113.6	A625 S633	A625-P629 WeakPolarHBondContact O-CD 3.36Å; A625-P629 WeakPolarHBondContact O-CG 3.29Å; P629-S633 VanDerWaalsContact O-CB 3.28Å; P629-S633 WeakPolarHBondContact O-CB 3.39Å; P629-S633 PolarHBondContact O-N 2.86Å; P629-S633 PolarHBondContact O-OG 3.5Å
630	L	97.9	Very high	96.4	Very high	27 Å²	27	53.4 Å²	53.4	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-46.5	175.9	176.1	63	0	0	0	111.1	F545 L558 A608 L627 G628 S633 L634	F545-L630 HydrophobicContact CE1-CD2 4.15Å; F545-L630 HydrophobicContact CZ-CD2 4.25Å; L558-L630 HydrophobicContact CD2-CD1 4.27Å; A608-L630 HydrophobicContact CB-CD2 4.47Å; A608-L630 HydrophobicContact CB-CG 4.36Å; L627-L630 HydrophobicContact CD2-CD2 4.48Å; L627-L630 WeakPolarHBondContact O-CB 3.47Å; L627-L630 PolarHBondContact O-N 2.77Å; L627-L630 VanDerWaalsContact O-N 3.15Å; G628-L630 VanDerWaalsContact C-N 3.28Å; G628-L630 PolarHBondContact O-N 3.5Å; L630-S633 PolarHBondContact O-N 3.48Å; L630-L634 HydrophobicContact CD1-CD1 3.78Å; L630-L634 HydrophobicContact CD1-CG 4.12Å; L630-L634 HydrophobicContact CG-CD1 3.89Å; L630-L634 WeakPolarHBondContact O-CB 3.47Å; L630-L634 VanDerWaalsContact O-CG 3.29Å; L630-L634 WeakPolarHBondContact O-CG 3.41Å; L630-L634 PolarHBondContact O-N 2.84Å
631	A	97.9	Very high	96.5	Very high	7 Å²	7	51.5 Å²	51.5	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-52.2	176.8	0	0	0	0	0	110.9	A608 L627 G628 S633 L634 E635	A608-A631 HydrophobicContact CB-CB 3.78Å; L627-A631 PolarHBondContact O-N 3.18Å; G628-A631 PolarHBondContact O-N 3.12Å; A631-S633 VanDerWaalsContact C-N 3.31Å; A631-S633 PolarHBondContact O-N 3.16Å; A631-L634 PolarHBondContact O-N 3.24Å; A631-L634 VanDerWaalsContact O-N 3.11Å; A631-E635 WeakPolarHBondContact O-CG 3.31Å; A631-E635 PolarHBondContact O-N 2.93Å
632	A	97.8	Very high	96.7	Very high	61 Å²	61	55.2 Å²	55.2	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-58	-42.1	178.1	0	0	0	0	0	112.4	G628 L634 E635 A636	G628-A632 PolarHBondContact O-N 2.92Å; A632-L634 VanDerWaalsContact C-N 3.33Å; A632-L634 PolarHBondContact O-N 2.94Å; A632-E635 PolarHBondContact O-N 2.86Å; A632-A636 PolarHBondContact O-N 2.9Å
633	S	97.8	Very high	96.9	Very high	52 Å²	52	47.6 Å²	47.6	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-67	-33.5	178.6	-60.2	0	0	0	0	112.9	P629 L630 A631	P629-S633 VanDerWaalsContact O-CB 3.28Å; P629-S633 WeakPolarHBondContact O-CB 3.39Å; P629-S633 PolarHBondContact O-N 2.86Å; P629-S633 PolarHBondContact O-OG 3.5Å; L630-S633 PolarHBondContact O-N 3.48Å; A631-S633 VanDerWaalsContact C-N 3.31Å; A631-S633 PolarHBondContact O-N 3.16Å
634	L	98	Very high	97.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-77.8	-30.7	178.2	-71.1	169.5	0	0	0	112.6	L558 Y560 R601 V604 A605 A608 L630 A631 A632	L558-L634 HydrophobicContact CB-CD2 4.14Å; L558-L634 HydrophobicContact CD2-CD2 3.98Å; L558-L634 HydrophobicContact CD2-CG 4.31Å; Y560-L634 HydrophobicContact CE2-CD2 3.72Å; R601-L634 HydrophobicContact CG-CD2 4.34Å; R601-L634 PolarHBondContact NH1-O 2.82Å; R601-L634 PolarHBondContact NH2-O 2.92Å; V604-L634 HydrophobicContact CG1-CD1 3.89Å; A605-L634 HydrophobicContact CB-CB 3.8Å; A605-L634 HydrophobicContact CB-CD1 4.47Å; A608-L634 HydrophobicContact CB-CD1 4.35Å; L630-L634 HydrophobicContact CD1-CD1 3.78Å; L630-L634 HydrophobicContact CD1-CG 4.12Å; L630-L634 HydrophobicContact CG-CD1 3.89Å; L630-L634 WeakPolarHBondContact O-CB 3.47Å; L630-L634 VanDerWaalsContact O-CG 3.29Å; L630-L634 WeakPolarHBondContact O-CG 3.41Å; L630-L634 PolarHBondContact O-N 2.84Å; A631-L634 PolarHBondContact O-N 3.24Å; A631-L634 VanDerWaalsContact O-N 3.11Å; A632-L634 VanDerWaalsContact C-N 3.33Å; A632-L634 PolarHBondContact O-N 2.94Å
635	E	96.6	Very high	97.2	Very high	68 Å²	68	47 Å²	47	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-82.4	-18.8	176.8	-68.4	-176.5	153.7	0	0	113.5	R609 A631 A632 A637	R609-E635 VanDerWaalsContact CD-OE1 3.24Å; R609-E635 WeakPolarHBondContact CD-OE1 3.42Å; R609-E635 IonicContact CZ-OE1 3.3Å; R609-E635 IonicContact NE-OE1 3.91Å; R609-E635 IonicContact NH1-OE1 3.59Å; R609-E635 PolarHBondContact NH1-OE1 3.36Å; A631-E635 WeakPolarHBondContact O-CG 3.31Å; A631-E635 PolarHBondContact O-N 2.93Å; A632-E635 PolarHBondContact O-N 2.86Å; E635-A637 PolarHBondContact O-N 3.19Å
636	A	97.3	Very high	97.4	Very high	35 Å²	35	43.6 Å²	43.6	29%	0.289	25%	0.252	S	S	.	.			trans	-54.8	121.1	174.6	0	0	0	0	0	111.6	A632 E638 S639 L640	A632-A636 PolarHBondContact O-N 2.9Å; A636-E638 VanDerWaalsContact C-N 3.28Å; A636-E638 PolarHBondContact O-N 3.26Å; A636-S639 PolarHBondContact O-N 3.11Å; A636-L640 PolarHBondContact O-N 3.36Å
637	A	95.5	Very high	97.5	Very high	51 Å²	51	42.8 Å²	42.8	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-37.1	-174.4	0	0	0	0	0	111.8	E635 S639 L640 D641	E635-A637 PolarHBondContact O-N 3.19Å; A637-S639 PolarHBondContact O-N 3.06Å; A637-L640 PolarHBondContact O-N 3.12Å; A637-D641 WeakPolarHBondContact O-CB 3.32Å; A637-D641 PolarHBondContact O-N 3.16Å
638	E	95.8	Very high	97.6	Very high	149 Å²	149	48.4 Å²	48.4	70%	0.696	28%	0.282	S	S	*	.	H	α-helix	trans	-61.1	-43.8	-179.3	-61	77.3	-169.3	0	0	111.5	A636 E642	A636-E638 VanDerWaalsContact C-N 3.28Å; A636-E638 PolarHBondContact O-N 3.26Å; E638-E642 VanDerWaalsContact O-CB 3.3Å; E638-E642 WeakPolarHBondContact O-CB 3.38Å; E638-E642 PolarHBondContact O-N 2.93Å
639	S	95.8	Very high	97.6	Very high	18 Å²	18	49.8 Å²	49.8	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-41	179	175.2	0	0	0	0	111.8	L558 R601 A636 A637 L643	L558-S639 WeakPolarHBondContact CD1-OG 3.35Å; R601-S639 PolarHBondContact NH2-OG 3.46Å; R601-S639 VanDerWaalsContact NH2-OG 3.07Å; A636-S639 PolarHBondContact O-N 3.11Å; A637-S639 PolarHBondContact O-N 3.06Å; S639-L643 WeakPolarHBondContact O-CB 3.35Å; S639-L643 VanDerWaalsContact O-CG 3.3Å; S639-L643 WeakPolarHBondContact O-CG 3.49Å; S639-L643 PolarHBondContact O-N 2.75Å
640	L	98.2	Very high	97.5	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-44.4	177.7	178.3	61.1	0	0	0	111	L598 A636 A637 L643 H644 F652 P696 L702	L598-L640 HydrophobicContact CD1-CD1 4.01Å; A636-L640 PolarHBondContact O-N 3.36Å; A637-L640 PolarHBondContact O-N 3.12Å; L640-L643 PolarHBondContact O-N 3.25Å; L640-H644 HydrophobicContact CD1-CB 4.19Å; L640-H644 WeakPolarHBondContact O-CB 3.45Å; L640-H644 PolarHBondContact O-N 3.23Å; L640-F652 HydrophobicContact CD1-CD1 4.44Å; L640-F652 HydrophobicContact CD1-CE1 4.37Å; L640-F652 HydrophobicContact CD2-CE1 3.99Å; L640-F652 HydrophobicContact CD2-CZ 3.95Å; L640-F652 HydrophobicContact CG-CD1 4.21Å; L640-F652 HydrophobicContact CG-CE1 3.66Å; L640-F652 HydrophobicContact CG-CZ 4.13Å; L640-P696 HydrophobicContact CD2-CB 4.03Å; L640-P696 HydrophobicContact CD2-CG 4.05Å; L640-L702 HydrophobicContact CD2-CD2 4.24Å
641	D	98.1	Very high	97.6	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-49.6	177.9	-88.9	14.2	0	0	0	111.2	A637 L643 H644 W645 F652 R708	A637-D641 WeakPolarHBondContact O-CB 3.32Å; A637-D641 PolarHBondContact O-N 3.16Å; D641-L643 VanDerWaalsContact C-N 3.28Å; D641-L643 PolarHBondContact O-N 3.08Å; D641-H644 PolarHBondContact O-N 3.37Å; D641-W645 HydrophobicContact CB-CB 4.04Å; D641-W645 VanDerWaalsContact O-CB 3.3Å; D641-W645 WeakPolarHBondContact O-CB 3.17Å; D641-W645 PolarHBondContact O-N 2.88Å; D641-F652 WeakPolarHBondContact OD1-CE1 3.3Å; D641-F652 WeakPolarHBondContact OD1-CZ 3.39Å; D641-R708 IonicContact OD1-NE 3.49Å; D641-R708 IonicContact OD2-CZ 3.29Å; D641-R708 VanDerWaalsContact OD2-CZ 3.24Å; D641-R708 IonicContact OD2-NE 3.85Å; D641-R708 PolarHBondContact OD2-NE 2.81Å; D641-R708 IonicContact OD2-NH2 2.73Å; D641-R708 PolarHBondContact OD2-NH2 2.83Å
642	E	98.2	Very high	97.6	Very high	151 Å²	151	45.9 Å²	45.9	71%	0.706	27%	0.265	S	S	*	.	H	α-helix	trans	-55.9	-43.9	179.1	-176.2	-174.6	173.7	0	0	111.9	E638 Y685	E638-E642 VanDerWaalsContact O-CB 3.3Å; E638-E642 WeakPolarHBondContact O-CB 3.38Å; E638-E642 PolarHBondContact O-N 2.93Å; E642-Y685 PolarHBondContact O-OH 2.99Å
643	L	98.6	Very high	97.7	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-82.1	-32.6	-173.7	-67.2	177.5	0	0	0	113.3	V556 L558 R596 S639 L640 D641 Y685	V556-L643 HydrophobicContact CG2-CD2 3.8Å; L558-L643 HydrophobicContact CB-CD1 4.34Å; R596-L643 PolarHBondContact NE-O 2.8Å; R596-L643 PolarHBondContact NH2-O 3.4Å; S639-L643 WeakPolarHBondContact O-CB 3.35Å; S639-L643 VanDerWaalsContact O-CG 3.3Å; S639-L643 WeakPolarHBondContact O-CG 3.49Å; S639-L643 PolarHBondContact O-N 2.75Å; L640-L643 PolarHBondContact O-N 3.25Å; D641-L643 VanDerWaalsContact C-N 3.28Å; D641-L643 PolarHBondContact O-N 3.08Å; L643-Y685 WeakPolarHBondContact O-CE1 3.37Å
644	H	98.8	Very high	97.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-136.3	-15.6	-163.3	-72	-72	0	0	0	116.7	L598 L640 D641 A646 F652 A653	L598-H644 HydrophobicContact CD1-CB 3.9Å; L640-H644 HydrophobicContact CD1-CB 4.19Å; L640-H644 WeakPolarHBondContact O-CB 3.45Å; L640-H644 PolarHBondContact O-N 3.23Å; D641-H644 PolarHBondContact O-N 3.37Å; H644-A646 PolarHBondContact O-N 3.45Å; H644-F652 HydrophobicContact CB-CD1 4.07Å; H644-F652 CarbonylContact O-C 3.59Å; H644-F652 VanDerWaalsContact O-CA 3.26Å; H644-F652 WeakPolarHBondContact O-CA 3.3Å; H644-A653 PolarHBondContact ND1-O 2.83Å; H644-A653 PolarHBondContact O-N 3.42Å
645	W	98.7	Very high	97.7	Very high	24 Å²	24	42.7 Å²	42.7	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121.8	175.5	-178.5	-104.3	0	0	0	109.7	D641 P647 G650 F652 Y685 R708 P711	D641-W645 HydrophobicContact CB-CB 4.04Å; D641-W645 VanDerWaalsContact O-CB 3.3Å; D641-W645 WeakPolarHBondContact O-CB 3.17Å; D641-W645 PolarHBondContact O-N 2.88Å; W645-P647 WeakPolarHBondContact O-CD 3.4Å; W645-G650 WeakPolarHBondContact CH2-O 3.3Å; W645-F652 HydrophobicContact CB-CD1 4.03Å; W645-F652 HydrophobicContact CB-CE1 3.84Å; W645-F652 HydrophobicContact CD2-CE1 4.48Å; W645-F652 AromaticContact CE3-CD1 3.9Å; W645-F652 HydrophobicContact CE3-CD1 3.9Å; W645-F652 AromaticContact CE3-CD2 3.95Å; W645-F652 HydrophobicContact CE3-CD2 3.95Å; W645-F652 AromaticContact CE3-CE1 3.81Å; W645-F652 HydrophobicContact CE3-CE1 3.81Å; W645-F652 AromaticContact CE3-CE2 3.88Å; W645-F652 HydrophobicContact CE3-CE2 3.88Å; W645-F652 AromaticContact CE3-CG 3.97Å; W645-F652 HydrophobicContact CE3-CG 3.97Å; W645-F652 AromaticContact CE3-CZ 3.81Å; W645-F652 HydrophobicContact CE3-CZ 3.81Å; W645-F652 HydrophobicContact CZ3-CD2 4.15Å; W645-F652 HydrophobicContact CZ3-CE2 4.11Å; W645-F652 HydrophobicContact CZ3-CZ 4.44Å; W645-Y685 PolarHBondContact O-OH 3.1Å; W645-R708 HydrophobicContact CD2-CG 4.42Å; W645-R708 HydrophobicContact CE3-CB 4.3Å; W645-R708 HydrophobicContact CE3-CG 4.07Å; W645-R708 HydrophobicContact CH2-CB 4.42Å; W645-R708 HydrophobicContact CZ3-CB 3.95Å; W645-R708 HydrophobicContact CZ3-CG 4.14Å; W645-P711 HydrophobicContact CH2-CB 4.04Å; W645-P711 HydrophobicContact CH2-CG 4.29Å
646	A	98.5	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	97.3	179.3	0	0	0	0	0	109.6	H644 E648 L649 G650 V651 A653 Y685	H644-A646 PolarHBondContact O-N 3.45Å; A646-E648 PolarHBondContact O-N 2.6Å; A646-L649 HydrophobicContact CB-CB 3.95Å; A646-L649 HydrophobicContact CB-CD1 3.88Å; A646-L649 HydrophobicContact CB-CG 3.93Å; A646-L649 CarbonylContact O-C 3.54Å; A646-L649 PolarHBondContact O-N 3.21Å; A646-G650 PolarHBondContact O-N 3.03Å; A646-V651 WeakPolarHBondContact CB-O 3.46Å; A646-V651 PolarHBondContact N-O 3.11Å; A646-A653 HydrophobicContact CB-CB 4.28Å; A646-Y685 HydrophobicContact CB-CD1 4.06Å; A646-Y685 HydrophobicContact CB-CD2 3.49Å; A646-Y685 VanDerWaalsContact CB-CD2 3.49Å; A646-Y685 HydrophobicContact CB-CE2 4.1Å; A646-Y685 HydrophobicContact CB-CG 3.47Å; A646-Y685 VanDerWaalsContact CB-CG 3.47Å
647	P	97.4	Very high	97.9	Very high	95 Å²	95	40 Å²	40	62%	0.617	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.7	-175.4	-23.3	33.8	0	0	0	113.1	W645 L649 G650	W645-P647 WeakPolarHBondContact O-CD 3.4Å; P647-L649 VanDerWaalsContact C-N 3.25Å; P647-L649 PolarHBondContact O-N 3.05Å; P647-G650 PolarHBondContact O-N 3.36Å
648	E	96.9	Very high	98	Very high	122 Å²	122	37.7 Å²	37.7	57%	0.57	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.1	178.6	73.1	-80.8	-163.2	0	0	113.7	A646 Y685	A646-E648 PolarHBondContact O-N 2.6Å; E648-Y685 WeakPolarHBondContact OE1-CD2 3.32Å
649	L	97.2	Very high	98.1	Very high	49 Å²	49	30.7 Å²	30.7	26%	0.257	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-15.6	175.4	-53.7	-179	0	0	0	112.1	A646 P647 V651 A653 D687	A646-L649 HydrophobicContact CB-CB 3.95Å; A646-L649 HydrophobicContact CB-CD1 3.88Å; A646-L649 HydrophobicContact CB-CG 3.93Å; A646-L649 CarbonylContact O-C 3.54Å; A646-L649 PolarHBondContact O-N 3.21Å; P647-L649 VanDerWaalsContact C-N 3.25Å; P647-L649 PolarHBondContact O-N 3.05Å; L649-V651 HydrophobicContact CB-CG1 3.83Å; L649-V651 PolarHBondContact O-N 3.38Å; L649-A653 HydrophobicContact CD1-CB 4.19Å; L649-D687 HydrophobicContact CD1-CB 4.11Å; L649-D687 HydrophobicContact CD2-CB 3.86Å
650	G	97.3	Very high	98.1	Very high	27 Å²	27	35 Å²	35	28%	0.278	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	25.6	-175.8	0	0	0	0	0	113.8	W645 A646 P647	W645-G650 WeakPolarHBondContact CH2-O 3.3Å; A646-G650 PolarHBondContact O-N 3.03Å; P647-G650 PolarHBondContact O-N 3.36Å
651	V	98.4	Very high	98.1	Very high	3 Å²	3	36 Å²	36	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	161.9	-172.3	75	0	0	0	0	111.4	A646 L649 L712 I715	A646-V651 WeakPolarHBondContact CB-O 3.46Å; A646-V651 PolarHBondContact N-O 3.11Å; L649-V651 HydrophobicContact CB-CG1 3.83Å; L649-V651 PolarHBondContact O-N 3.38Å; V651-L712 HydrophobicContact CG2-CD2 3.76Å; V651-I715 HydrophobicContact CB-CD1 3.8Å; V651-I715 HydrophobicContact CG2-CD1 3.71Å
652	F	98.9	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.9	165.6	-65.1	-74.4	0	0	0	111.6	L598 L640 D641 H644 W645 S693 P696 L702 R708 L712	L598-F652 HydrophobicContact CD1-CB 4.18Å; L598-F652 HydrophobicContact CD2-CB 3.43Å; L598-F652 VanDerWaalsContact CD2-CB 3.43Å; L598-F652 HydrophobicContact CG-CB 4.46Å; L640-F652 HydrophobicContact CD1-CD1 4.44Å; L640-F652 HydrophobicContact CD1-CE1 4.37Å; L640-F652 HydrophobicContact CD2-CE1 3.99Å; L640-F652 HydrophobicContact CD2-CZ 3.95Å; L640-F652 HydrophobicContact CG-CD1 4.21Å; L640-F652 HydrophobicContact CG-CE1 3.66Å; L640-F652 HydrophobicContact CG-CZ 4.13Å; D641-F652 WeakPolarHBondContact OD1-CE1 3.3Å; D641-F652 WeakPolarHBondContact OD1-CZ 3.39Å; H644-F652 HydrophobicContact CB-CD1 4.07Å; H644-F652 CarbonylContact O-C 3.59Å; H644-F652 VanDerWaalsContact O-CA 3.26Å; H644-F652 WeakPolarHBondContact O-CA 3.3Å; W645-F652 HydrophobicContact CB-CD1 4.03Å; W645-F652 HydrophobicContact CB-CE1 3.84Å; W645-F652 HydrophobicContact CD2-CE1 4.48Å; W645-F652 AromaticContact CE3-CD1 3.9Å; W645-F652 HydrophobicContact CE3-CD1 3.9Å; W645-F652 AromaticContact CE3-CD2 3.95Å; W645-F652 HydrophobicContact CE3-CD2 3.95Å; W645-F652 AromaticContact CE3-CE1 3.81Å; W645-F652 HydrophobicContact CE3-CE1 3.81Å; W645-F652 AromaticContact CE3-CE2 3.88Å; W645-F652 HydrophobicContact CE3-CE2 3.88Å; W645-F652 AromaticContact CE3-CG 3.97Å; W645-F652 HydrophobicContact CE3-CG 3.97Å; W645-F652 AromaticContact CE3-CZ 3.81Å; W645-F652 HydrophobicContact CE3-CZ 3.81Å; W645-F652 HydrophobicContact CZ3-CD2 4.15Å; W645-F652 HydrophobicContact CZ3-CE2 4.11Å; W645-F652 HydrophobicContact CZ3-CZ 4.44Å; F652-S693 PolarHBondContact O-OG 2.92Å; F652-P696 HydrophobicContact CB-CG 4.43Å; F652-P696 HydrophobicContact CD2-CB 4.26Å; F652-P696 HydrophobicContact CD2-CG 3.77Å; F652-P696 HydrophobicContact CE2-CB 4.2Å; F652-P696 HydrophobicContact CE2-CG 4.14Å; F652-P696 HydrophobicContact CG-CG 4.06Å; F652-L702 HydrophobicContact CE2-CD2 4.23Å; F652-L702 HydrophobicContact CZ-CD2 4.34Å; F652-R708 HydrophobicContact CE2-CB 3.77Å; F652-R708 HydrophobicContact CE2-CG 4.24Å; F652-R708 HydrophobicContact CZ-CB 3.89Å; F652-R708 HydrophobicContact CZ-CG 3.83Å; F652-L712 HydrophobicContact CD2-CD1 4.05Å; F652-L712 HydrophobicContact CD2-CD2 4.3Å; F652-L712 HydrophobicContact CE2-CD1 4.18Å
653	A	98.9	Very high	97.9	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.033	18%	0.176	C	C	.	.			trans	-143.4	158.7	-175	0	0	0	0	0	113.6	H644 A646 L649 Y685	H644-A653 PolarHBondContact ND1-O 2.83Å; H644-A653 PolarHBondContact O-N 3.42Å; A646-A653 HydrophobicContact CB-CB 4.28Å; L649-A653 HydrophobicContact CD1-CB 4.19Å; A653-Y685 HydrophobicContact CB-CD1 4.11Å; A653-Y685 HydrophobicContact CB-CG 4.45Å
654	D	98.9	Very high	97.8	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.043	18%	0.181	C	C	.	.			trans	-66	156.2	161.4	-77.6	-5	0	0	0	110.4	R587 R596 H597 L598 Y685 V686	R587-D654 WeakPolarHBondContact CD-OD2 3.19Å; R587-D654 WeakPolarHBondContact CG-OD2 3.41Å; R587-D654 IonicContact CZ-OD2 3.69Å; R587-D654 IonicContact NE-OD2 3.74Å; R587-D654 IonicContact NH1-OD1 2.8Å; R587-D654 IonicContact NH1-OD2 3.88Å; R587-D654 PolarHBondContact NH1-OD2 3.23Å; R596-D654 WeakPolarHBondContact O-CA 3.39Å; H597-D654 VanDerWaalsContact CA-OD1 3.32Å; H597-D654 WeakPolarHBondContact CA-OD1 3.35Å; H597-D654 IonicContact CD2-OD2 3.93Å; L598-D654 PolarHBondContact N-OD1 2.98Å; D654-Y685 WeakPolarHBondContact O-CA 3.25Å; D654-V686 HydrophobicContact CB-CB 4.34Å; D654-V686 HydrophobicContact CB-CG2 4.3Å; D654-V686 PolarHBondContact O-N 2.93Å
655	F	98.9	Very high	97.7	Very high	36 Å²	36	38.1 Å²	38.1	16%	0.158	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.5	174.9	-176.5	-86.5	0	0	0	111	E595 R596 L683 Y685	E595-F655 VanDerWaalsContact CA-O 3.23Å; E595-F655 WeakPolarHBondContact CA-O 3.49Å; R596-F655 HydrophobicContact CB-CB 4.28Å; R596-F655 PolarHBondContact N-O 2.87Å; R596-F655 PolarHBondContact O-N 3.01Å; F655-L683 HydrophobicContact CE1-CB 4.03Å; F655-L683 HydrophobicContact CE1-CD2 4.19Å; F655-L683 HydrophobicContact CZ-CB 3.83Å; F655-Y685 HydrophobicContact CB-CD1 4.2Å; F655-Y685 HydrophobicContact CB-CE1 4.35Å; F655-Y685 HydrophobicContact CD2-CD1 4.03Å; F655-Y685 HydrophobicContact CD2-CE1 4.1Å; F655-Y685 HydrophobicContact CD2-CG 4.3Å
656	G	98.6	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-171.9	172.5	0	0	0	0	0	114.3	H658 L683 Q684	G656-H658 PolarHBondContact O-N 2.82Å; G656-H658 VanDerWaalsContact O-N 3.13Å; G656-L683 WeakPolarHBondContact O-CA 3.36Å; G656-Q684 PolarHBondContact N-O 3.42Å; G656-Q684 PolarHBondContact O-N 2.93Å; G656-Q684 VanDerWaalsContact O-N 3.1Å; G656-Q684 VanDerWaalsContact O-O 3.13Å
657	N	98.5	Very high	97.2	Very high	45 Å²	45	47.8 Å²	47.8	24%	0.241	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	99.9	178.3	-167.7	19.2	0	0	0	110.4	H590 P681 R682 L683	H590-N657 HydrophobicContact CB-CB 4.37Å; H590-N657 PolarHBondContact N-O 3.45Å; H590-N657 VanDerWaalsContact N-O 3.08Å; N657-P681 WeakPolarHBondContact OD1-CB 3.39Å; N657-P681 PolarHBondContact OD1-O 3.04Å; N657-R682 VanDerWaalsContact OD1-C 3.29Å; N657-R682 VanDerWaalsContact OD1-CA 3.27Å; N657-R682 WeakPolarHBondContact OD1-CA 3.37Å; N657-R682 PolarHBondContact OD1-N 3.26Å; N657-R682 VanDerWaalsContact OD1-N 3.11Å; N657-L683 HydrophobicContact CB-CD2 4.09Å
658	H	98.4	Very high	96.8	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.8	-166.4	-176.3	78.6	0	0	0	112.6	A588 S589 G656 P681 R682 Q684 V686	A588-H658 HydrophobicContact CB-CB 4.45Å; S589-H658 PolarHBondContact N-ND1 3.09Å; G656-H658 PolarHBondContact O-N 2.82Å; G656-H658 VanDerWaalsContact O-N 3.13Å; H658-P681 VanDerWaalsContact O-CA 3.31Å; H658-P681 WeakPolarHBondContact O-CA 3.45Å; H658-R682 PolarHBondContact N-O 3.4Å; H658-R682 PolarHBondContact O-N 2.9Å; H658-R682 VanDerWaalsContact O-N 3.1Å; H658-Q684 HydrophobicContact CB-CG 4.29Å; H658-Q684 PolarHBondContact O-NE2 3.3Å; H658-V686 HydrophobicContact CB-CG2 4.11Å
659	T	97.9	Very high	96.5	Very high	2 Å²	2	50 Å²	50	1%	0.012	27%	0.274	C	S	.	.			trans	-147.7	140	163	178.9	0	0	0	0	108.2	S589 A661 V662 V676 P679 P681	S589-T659 PolarHBondContact OG-N 2.98Å; S589-T659 PolarHBondContact OG-O 2.87Å; T659-A661 WeakPolarHBondContact OG1-CB 3.46Å; T659-A661 PolarHBondContact OG1-N 3.41Å; T659-A661 VanDerWaalsContact OG1-N 3.14Å; T659-V662 HydrophobicContact CG2-CG1 4.23Å; T659-V676 HydrophobicContact CG2-CG1 3.95Å; T659-P679 WeakPolarHBondContact CB-O 3.43Å; T659-P679 PolarHBondContact OG1-O 3Å; T659-P681 HydrophobicContact CG2-CB 3.97Å
660	K	95.8	Very high	96	Very high	110 Å²	110	54.2 Å²	54.2	48%	0.478	29%	0.293	S	S	.	.	S	Bend	trans	-73.3	-15.9	171.5	-66.5	179.1	176.7	176.3	0	112.6	V662 D687	K660-V662 PolarHBondContact O-N 3.44Å; K660-D687 WeakPolarHBondContact CE-OD2 3.28Å; K660-D687 IonicContact NZ-OD2 3.52Å; K660-D687 PolarHBondContact NZ-OD2 3.12Å
661	A	97	Very high	95.8	Very high	26 Å²	26	54.7 Å²	54.7	22%	0.215	30%	0.297	C	S	.	.			trans	-77.9	56.8	-176.6	0	0	0	0	0	111.7	T659 V676 G677 R678	T659-A661 WeakPolarHBondContact OG1-CB 3.46Å; T659-A661 PolarHBondContact OG1-N 3.41Å; T659-A661 VanDerWaalsContact OG1-N 3.14Å; A661-V676 CarbonylContact O-C 3.59Å; A661-V676 WeakPolarHBondContact O-CA 3.31Å; A661-G677 PolarHBondContact O-N 3.47Å; A661-R678 WeakPolarHBondContact CB-O 3.23Å
662	V	96.6	Very high	95.6	Very high	12 Å²	12	55.9 Å²	55.9	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.3	175.4	-63.2	0	0	0	0	110.1	L573 T659 K660 V675 V676 F737	L573-V662 HydrophobicContact CD1-CB 4.3Å; L573-V662 HydrophobicContact CD1-CG2 4.02Å; T659-V662 HydrophobicContact CG2-CG1 4.23Å; K660-V662 PolarHBondContact O-N 3.44Å; V662-V675 WeakPolarHBondContact CA-O 3.37Å; V662-V676 HydrophobicContact CG1-CG2 4.27Å; V662-F737 HydrophobicContact CG2-CE1 4.15Å; V662-F737 HydrophobicContact CG2-CZ 3.89Å
663	Q	96.4	Very high	95.5	Very high	110 Å²	110	56.4 Å²	56.4	51%	0.514	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	144.5	179.6	-66.8	-179.6	-12	0	0	110.4	K665 R674 V675	Q663-K665 HydrophobicContact CB-CG 4.49Å; Q663-R674 CarbonylContact O-C 3.56Å; Q663-R674 WeakPolarHBondContact O-CA 3.44Å; Q663-V675 PolarHBondContact N-O 2.87Å; Q663-V675 VanDerWaalsContact N-O 3.07Å; Q663-V675 PolarHBondContact O-N 3.01Å
664	L	96.3	Very high	95.4	Very high	35 Å²	35	57.6 Å²	57.6	18%	0.183	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.6	165.9	-71.2	174.8	0	0	0	109.4	L573 L672 V673 R674 R741	L573-L664 HydrophobicContact CB-CD1 4.01Å; L573-L664 HydrophobicContact CB-CD2 4.34Å; L573-L664 HydrophobicContact CB-CG 3.91Å; L573-L664 HydrophobicContact CD1-CG 4.24Å; L664-L672 HydrophobicContact CB-CD1 4.08Å; L664-L672 HydrophobicContact CB-CD2 4.29Å; L664-L672 HydrophobicContact CB-CG 4.07Å; L664-L672 HydrophobicContact CD1-CD2 4.05Å; L664-V673 CarbonylContact C-O 3.6Å; L664-V673 WeakPolarHBondContact CA-O 3.23Å; L664-R674 HydrophobicContact CD2-CB 4.21Å; L664-R741 HydrophobicContact CD1-CG 4.38Å
665	K	96.1	Very high	95.3	Very high	90 Å²	90	58.4 Å²	58.4	39%	0.391	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.1	176.8	-67.2	-170.1	177.4	-178.7	0	110.9	Q663 R667 V673 V675	Q663-K665 HydrophobicContact CB-CG 4.49Å; K665-R667 PolarHBondContact O-N 3.33Å; K665-V673 PolarHBondContact N-O 3.01Å; K665-V673 PolarHBondContact O-N 3.18Å; K665-V675 HydrophobicContact CB-CG2 4.01Å; K665-V675 HydrophobicContact CD-CG2 4.33Å; K665-V675 HydrophobicContact CG-CG2 4.3Å
666	P	94.4	Very high	95.2	Very high	105 Å²	105	59.2 Å²	59.2	68%	0.682	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	124.3	169.6	27.8	-32.2	0	0	0	109.5	G671	P666-G671 CarbonylContact C-O 3.59Å; P666-G671 WeakPolarHBondContact CA-O 3.44Å
667	R	92	Very high	95.1	Very high	121 Å²	121	60.6 Å²	60.6	46%	0.457	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	105.3	174.7	-69.3	-166.5	171.1	-174.4	-2.7	109.9	K665 Q670 G671 V673 V675	K665-R667 PolarHBondContact O-N 3.33Å; R667-Q670 CarbonylContact O-C 3.49Å; R667-Q670 WeakPolarHBondContact O-CA 3.23Å; R667-Q670 WeakPolarHBondContact O-CB 3.24Å; R667-Q670 PolarHBondContact O-N 3.31Å; R667-G671 PolarHBondContact N-O 2.97Å; R667-G671 PolarHBondContact O-N 2.96Å; R667-V673 HydrophobicContact CB-CG2 3.81Å; R667-V673 HydrophobicContact CG-CG2 3.8Å; R667-V675 VanDerWaalsContact CZ-CG2 3.5Å
668	P	89.6	Confident	94.9	Very high	127 Å²	127	69.1 Å²	69.1	83%	0.825	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	140.8	173.8	-18.5	31.5	0	0	0	111.2
669	P	89.8	Confident	94.8	Very high	136 Å²	136	73.5 Å²	73.5	88%	0.883	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.9	3.9	-2.6	36.6	-36.2	0	0	0	114.2	G671	P669-G671 VanDerWaalsContact C-N 3.32Å; P669-G671 PolarHBondContact O-N 2.93Å
670	Q	86.6	Confident	94.8	Very high	139 Å²	139	79.1 Å²	79.1	65%	0.65	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-13.5	-170.4	-63.5	161.8	-6.9	0	0	114.3	R667 V673	R667-Q670 CarbonylContact O-C 3.49Å; R667-Q670 WeakPolarHBondContact O-CA 3.23Å; R667-Q670 WeakPolarHBondContact O-CB 3.24Å; R667-Q670 PolarHBondContact O-N 3.31Å; Q670-V673 HydrophobicContact CB-CG1 3.85Å
671	G	93.1	Very high	94.9	Very high	36 Å²	36	75.3 Å²	75.3	37%	0.371	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.4	-148.5	-177.6	0	0	0	0	0	112.4	P666 R667 P669 V673	P666-G671 CarbonylContact C-O 3.59Å; P666-G671 WeakPolarHBondContact CA-O 3.44Å; R667-G671 PolarHBondContact N-O 2.97Å; R667-G671 PolarHBondContact O-N 2.96Å; P669-G671 VanDerWaalsContact C-N 3.32Å; P669-G671 PolarHBondContact O-N 2.93Å; G671-V673 PolarHBondContact O-N 3.44Å
672	L	95.1	Very high	95	Very high	29 Å²	29	81.1 Å²	81.1	15%	0.152	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.5	179.4	-169.9	74.5	0	0	0	110.4	L664 E744	L664-L672 HydrophobicContact CB-CD1 4.08Å; L664-L672 HydrophobicContact CB-CD2 4.29Å; L664-L672 HydrophobicContact CB-CG 4.07Å; L664-L672 HydrophobicContact CD1-CD2 4.05Å; L672-E744 HydrophobicContact CD2-CB 4.31Å
673	V	96.7	Very high	95.1	Very high	11 Å²	11	84.7 Å²	84.7	7%	0.067	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.7	-177	-62.6	0	0	0	0	112.2	P570 L664 K665 R667 Q670 G671	P570-V673 CarbonylContact O-C 3.52Å; P570-V673 WeakPolarHBondContact O-CA 3.41Å; L664-V673 CarbonylContact C-O 3.6Å; L664-V673 WeakPolarHBondContact CA-O 3.23Å; K665-V673 PolarHBondContact N-O 3.01Å; K665-V673 PolarHBondContact O-N 3.18Å; R667-V673 HydrophobicContact CB-CG2 3.81Å; R667-V673 HydrophobicContact CG-CG2 3.8Å; Q670-V673 HydrophobicContact CB-CG1 3.85Å; G671-V673 PolarHBondContact O-N 3.44Å
674	R	96.9	Very high	95.2	Very high	29 Å²	29	81.3 Å²	81.3	11%	0.109	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.5	170.6	172.4	176.8	159	-179.2	-1.8	110	P570 L572 S589 H590 Q663 L664	P570-R674 WeakPolarHBondContact O-CB 3.36Å; P570-R674 PolarHBondContact O-N 2.9Å; L572-R674 WeakPolarHBondContact O-CD 3.3Å; S589-R674 VanDerWaalsContact O-CZ 3.29Å; S589-R674 PolarHBondContact O-NH1 3.38Å; S589-R674 PolarHBondContact O-NH2 3.09Å; H590-R674 PolarHBondContact CE1-NH2 3.29Å; H590-R674 PolarHBondContact NE2-NH2 2.83Å; H590-R674 VanDerWaalsContact NE2-NH2 3.16Å; Q663-R674 CarbonylContact O-C 3.56Å; Q663-R674 WeakPolarHBondContact O-CA 3.44Å; L664-R674 HydrophobicContact CD2-CB 4.21Å
675	V	96.7	Very high	95.3	Very high	25 Å²	25	81.3 Å²	81.3	15%	0.152	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.4	174.4	-178.8	0	0	0	0	108.6	V662 Q663 K665 R667	V662-V675 WeakPolarHBondContact CA-O 3.37Å; Q663-V675 PolarHBondContact N-O 2.87Å; Q663-V675 VanDerWaalsContact N-O 3.07Å; Q663-V675 PolarHBondContact O-N 3.01Å; K665-V675 HydrophobicContact CB-CG2 4.01Å; K665-V675 HydrophobicContact CD-CG2 4.33Å; K665-V675 HydrophobicContact CG-CG2 4.3Å; R667-V675 VanDerWaalsContact CZ-CG2 3.5Å
676	V	97.3	Very high	95.4	Very high	52 Å²	52	77.3 Å²	77.3	32%	0.315	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.1	174.3	-173.2	0	0	0	0	108.9	T659 A661 V662	T659-V676 HydrophobicContact CG2-CG1 3.95Å; A661-V676 CarbonylContact O-C 3.59Å; A661-V676 WeakPolarHBondContact O-CA 3.31Å; V662-V676 HydrophobicContact CG1-CG2 4.27Å
677	G	95.8	Very high	95.6	Very high	30 Å²	30	74.8 Å²	74.8	31%	0.309	39%	0.388	S	S	.	.			trans	-96.7	-152.8	179.7	0	0	0	0	0	113.2	A661	A661-G677 PolarHBondContact O-N 3.47Å
678	R	95.3	Very high	95.9	Very high	224 Å²	224	69.3 Å²	69.3	85%	0.845	37%	0.369	S	S	*	.	S	Bend	trans	-109.5	147.2	173.6	-68.4	-171.3	-179	-161.4	0.8	110.7	A661	A661-R678 WeakPolarHBondContact CB-O 3.23Å
679	P	96.7	Very high	96.3	Very high	95 Å²	95	64.1 Å²	64.1	62%	0.617	33%	0.334	S	S	*	.	S	Bend	cis	-69.4	155.2	-2.3	30.2	-35.5	0	0	0	112.8	T659	T659-P679 WeakPolarHBondContact CB-O 3.43Å; T659-P679 PolarHBondContact OG1-O 3Å
680	Q	97.2	Very high	96.7	Very high	119 Å²	119	57.6 Å²	57.6	56%	0.556	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-62.6	155.4	173.8	-69.7	-60.2	-23.3	0	0	110.5
681	P	97.8	Very high	97.3	Very high	30 Å²	30	51 Å²	51	20%	0.195	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-61.9	141.4	178.6	30.3	-38	0	0	0	111.4	H590 N657 H658 T659	H590-P681 VanDerWaalsContact ND1-CB 3.34Å; H590-P681 WeakPolarHBondContact ND1-CB 3.46Å; N657-P681 WeakPolarHBondContact OD1-CB 3.39Å; N657-P681 PolarHBondContact OD1-O 3.04Å; H658-P681 VanDerWaalsContact O-CA 3.31Å; H658-P681 WeakPolarHBondContact O-CA 3.45Å; T659-P681 HydrophobicContact CG2-CB 3.97Å
682	R	98.3	Very high	97.6	Very high	149 Å²	149	49.4 Å²	49.4	56%	0.562	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.7	173.9	65.3	179.7	-177.5	94.3	1.9	109.7	N657 H658 Q684	N657-R682 VanDerWaalsContact OD1-C 3.29Å; N657-R682 VanDerWaalsContact OD1-CA 3.27Å; N657-R682 WeakPolarHBondContact OD1-CA 3.37Å; N657-R682 PolarHBondContact OD1-N 3.26Å; N657-R682 VanDerWaalsContact OD1-N 3.11Å; H658-R682 PolarHBondContact N-O 3.4Å; H658-R682 PolarHBondContact O-N 2.9Å; H658-R682 VanDerWaalsContact O-N 3.1Å; R682-Q684 HydrophobicContact CG-CG 4.41Å; R682-Q684 VanDerWaalsContact CZ-OE1 3.29Å; R682-Q684 PolarHBondContact O-N 3.36Å
683	L	98.7	Very high	97.8	Very high	86 Å²	86	48.2 Å²	48.2	45%	0.45	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	120.4	170.1	-64.3	177.8	0	0	0	109.9	T594 F655 G656 N657	T594-L683 WeakPolarHBondContact OG1-CD2 3.28Å; F655-L683 HydrophobicContact CE1-CB 4.03Å; F655-L683 HydrophobicContact CE1-CD2 4.19Å; F655-L683 HydrophobicContact CZ-CB 3.83Å; G656-L683 WeakPolarHBondContact O-CA 3.36Å; N657-L683 HydrophobicContact CB-CD2 4.09Å
684	Q	98.6	Very high	97.9	Very high	40 Å²	40	47.7 Å²	47.7	19%	0.187	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	169.9	178.6	60.4	-169.6	-38.8	0	0	110.4	G656 H658 R682	G656-Q684 PolarHBondContact N-O 3.42Å; G656-Q684 PolarHBondContact O-N 2.93Å; G656-Q684 VanDerWaalsContact O-N 3.1Å; G656-Q684 VanDerWaalsContact O-O 3.13Å; H658-Q684 HydrophobicContact CB-CG 4.29Å; H658-Q684 PolarHBondContact O-NE2 3.3Å; R682-Q684 HydrophobicContact CG-CG 4.41Å; R682-Q684 VanDerWaalsContact CZ-OE1 3.29Å; R682-Q684 PolarHBondContact O-N 3.36Å
685	Y	98.8	Very high	98	Very high	35 Å²	35	46.6 Å²	46.6	14%	0.137	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	143	165.6	-67.8	-70.3	0	0	0	111	E642 L643 W645 A646 E648 A653 D654 F655	E642-Y685 PolarHBondContact O-OH 2.99Å; L643-Y685 WeakPolarHBondContact O-CE1 3.37Å; W645-Y685 PolarHBondContact O-OH 3.1Å; A646-Y685 HydrophobicContact CB-CD1 4.06Å; A646-Y685 HydrophobicContact CB-CD2 3.49Å; A646-Y685 VanDerWaalsContact CB-CD2 3.49Å; A646-Y685 HydrophobicContact CB-CE2 4.1Å; A646-Y685 HydrophobicContact CB-CG 3.47Å; A646-Y685 VanDerWaalsContact CB-CG 3.47Å; E648-Y685 WeakPolarHBondContact OE1-CD2 3.32Å; A653-Y685 HydrophobicContact CB-CD1 4.11Å; A653-Y685 HydrophobicContact CB-CG 4.45Å; D654-Y685 WeakPolarHBondContact O-CA 3.25Å; F655-Y685 HydrophobicContact CB-CD1 4.2Å; F655-Y685 HydrophobicContact CB-CE1 4.35Å; F655-Y685 HydrophobicContact CD2-CD1 4.03Å; F655-Y685 HydrophobicContact CD2-CE1 4.1Å; F655-Y685 HydrophobicContact CD2-CG 4.3Å
686	V	98.7	Very high	98.1	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.03	22%	0.224	C	C	.	.			trans	-89.5	115	-178.3	-177.6	0	0	0	0	108.7	A588 D654 H658 A688	A588-V686 HydrophobicContact CB-CG2 4.1Å; D654-V686 HydrophobicContact CB-CB 4.34Å; D654-V686 HydrophobicContact CB-CG2 4.3Å; D654-V686 PolarHBondContact O-N 2.93Å; H658-V686 HydrophobicContact CB-CG2 4.11Å; V686-A688 VanDerWaalsContact C-N 3.31Å; V686-A688 HydrophobicContact CG1-CB 4.03Å; V686-A688 PolarHBondContact O-N 3.33Å
687	D	97.9	Very high	98.1	Very high	52 Å²	52	42.9 Å²	42.9	28%	0.278	21%	0.209	S	C	.	.			trans	-75.3	88.2	170.9	179	15.5	0	0	0	110.4	L649 K660	L649-D687 HydrophobicContact CD1-CB 4.11Å; L649-D687 HydrophobicContact CD2-CB 3.86Å; K660-D687 WeakPolarHBondContact CE-OD2 3.28Å; K660-D687 IonicContact NZ-OD2 3.52Å; K660-D687 PolarHBondContact NZ-OD2 3.12Å
688	A	98.1	Very high	98.3	Very high	7 Å²	7	41.7 Å²	41.7	6%	0.058	20%	0.195	C	C	.	.			trans	-138.2	69.4	173.8	0	0	0	0	0	108.5	Y585 P586 V686 G690 L731	Y585-A688 HydrophobicContact CE1-CB 4.03Å; Y585-A688 PolarHBondContact OH-O 3.17Å; P586-A688 HydrophobicContact CB-CB 4.08Å; P586-A688 VanDerWaalsContact O-CB 3.24Å; P586-A688 WeakPolarHBondContact O-CB 3.5Å; V686-A688 VanDerWaalsContact C-N 3.31Å; V686-A688 HydrophobicContact CG1-CB 4.03Å; V686-A688 PolarHBondContact O-N 3.33Å; A688-G690 PolarHBondContact O-N 3.28Å; A688-L731 HydrophobicContact CB-CD1 4.5Å
689	L	98.6	Very high	98.5	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.089	16%	0.156	C	C	.	.			trans	-65.1	123	179.8	-168.2	155.3	0	0	0	110.8	I715 H721 L722 L731 A732	L689-I715 HydrophobicContact CD1-CD1 3.92Å; L689-I715 HydrophobicContact CD1-CG1 4.12Å; L689-I715 HydrophobicContact CD1-CG2 3.65Å; L689-I715 HydrophobicContact CD2-CG2 3.35Å; L689-I715 HydrophobicContact CG-CG2 3.77Å; L689-H721 HydrophobicContact CD2-CB 4.07Å; L689-L722 HydrophobicContact CD2-CD1 4.02Å; L689-L722 HydrophobicContact CD2-CD2 3.77Å; L689-L722 HydrophobicContact CD2-CG 3.76Å; L689-L731 WeakPolarHBondContact O-CD1 3.35Å; L689-A732 HydrophobicContact CB-CB 4.26Å; L689-A732 HydrophobicContact CD2-CB 3.63Å; L689-A732 WeakPolarHBondContact O-CB 3.29Å; L689-A732 PolarHBondContact O-N 3.02Å
690	G	98.6	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	176.9	-158.2	-171.5	0	0	0	0	0	112.7	Y585 A688 V692 S693 S730	Y585-G690 VanDerWaalsContact OH-C 3.29Å; Y585-G690 WeakPolarHBondContact OH-CA 3.37Å; Y585-G690 PolarHBondContact OH-N 3.21Å; Y585-G690 VanDerWaalsContact OH-N 3.13Å; A688-G690 PolarHBondContact O-N 3.28Å; G690-V692 VanDerWaalsContact C-N 3.29Å; G690-V692 PolarHBondContact O-N 3.48Å; G690-S693 VanDerWaalsContact O-CB 3.31Å; G690-S693 WeakPolarHBondContact O-CB 3.21Å; G690-S693 PolarHBondContact O-N 2.91Å; G690-S693 VanDerWaalsContact O-N 3.15Å; G690-S730 VanDerWaalsContact CA-O 3.3Å; G690-S730 WeakPolarHBondContact CA-O 3.38Å
691	Y	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-42.1	178	-69.8	-16.2	0	0	0	113.3	L582 S693 L694 F695 L728 R729 S730 W750 W755 V758 N759	L582-Y691 HydrophobicContact CD2-CD2 4.36Å; Y691-S693 VanDerWaalsContact C-N 3.26Å; Y691-S693 PolarHBondContact O-N 3.32Å; Y691-L694 PolarHBondContact O-N 3.13Å; Y691-F695 WeakPolarHBondContact O-CD2 3.16Å; Y691-L728 HydrophobicContact CE1-CB 4.09Å; Y691-L728 WeakPolarHBondContact CE1-O 3.48Å; Y691-L728 PolarHBondContact OH-O 2.95Å; Y691-R729 WeakPolarHBondContact CD1-O 3.32Å; Y691-R729 WeakPolarHBondContact CE1-O 3.47Å; Y691-S730 VanDerWaalsContact CE2-CB 3.45Å; Y691-S730 PolarHBondContact N-O 3.22Å; Y691-S730 PolarHBondContact OH-N 3.41Å; Y691-W750 AromaticContact CD2-CE3 3.86Å; Y691-W750 HydrophobicContact CD2-CE3 3.86Å; Y691-W750 AromaticContact CD2-CZ3 3.81Å; Y691-W750 HydrophobicContact CD2-CZ3 3.81Å; Y691-W750 AromaticContact CE2-CE3 3.95Å; Y691-W750 HydrophobicContact CE2-CE3 3.95Å; Y691-W750 AromaticContact CE2-CZ3 3.73Å; Y691-W750 HydrophobicContact CE2-CZ3 3.73Å; Y691-W755 HydrophobicContact CE2-CB 4Å; Y691-W755 AromaticContact CE2-CD1 3.94Å; Y691-W755 HydrophobicContact CE2-CG 4.27Å; Y691-W755 PolarHBondContact OH-N 2.83Å; Y691-W755 VanDerWaalsContact OH-N 3.08Å; Y691-V758 HydrophobicContact CD1-CB 4.37Å; Y691-V758 HydrophobicContact CD1-CG1 3.62Å; Y691-V758 HydrophobicContact CD2-CB 3.84Å; Y691-V758 HydrophobicContact CD2-CG1 3.82Å; Y691-V758 HydrophobicContact CD2-CG2 3.7Å; Y691-V758 HydrophobicContact CE1-CB 4.34Å; Y691-V758 HydrophobicContact CE1-CG1 3.92Å; Y691-V758 HydrophobicContact CE2-CB 3.81Å; Y691-V758 HydrophobicContact CE2-CG1 4.12Å; Y691-V758 HydrophobicContact CE2-CG2 3.98Å; Y691-V758 HydrophobicContact CG-CB 4.14Å; Y691-V758 HydrophobicContact CG-CG1 3.57Å; Y691-V758 HydrophobicContact CG-CG2 4.25Å; Y691-N759 PolarHBondContact OH-ND2 3.36Å
692	V	98.9	Very high	98.6	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-57.4	-41.7	179.9	174.9	0	0	0	0	111.1	L582 Y585 L598 D599 G690 L694 F695	L582-V692 HydrophobicContact CD2-CG2 4.4Å; Y585-V692 HydrophobicContact CD1-CB 4.26Å; Y585-V692 HydrophobicContact CD1-CG2 3.57Å; Y585-V692 HydrophobicContact CD2-CG2 4.12Å; Y585-V692 HydrophobicContact CE1-CB 3.59Å; Y585-V692 HydrophobicContact CE1-CG2 3.42Å; Y585-V692 VanDerWaalsContact CE1-CG2 3.42Å; Y585-V692 HydrophobicContact CE2-CB 4.28Å; Y585-V692 HydrophobicContact CE2-CG2 3.93Å; Y585-V692 HydrophobicContact CG-CG2 3.93Å; Y585-V692 PolarHBondContact OH-N 2.82Å; L598-V692 HydrophobicContact CB-CG1 4.11Å; L598-V692 HydrophobicContact CD2-CG1 4.35Å; L598-V692 WeakPolarHBondContact CD2-O 3.32Å; D599-V692 HydrophobicContact CB-CG1 4.27Å; G690-V692 VanDerWaalsContact C-N 3.29Å; G690-V692 PolarHBondContact O-N 3.48Å; V692-L694 PolarHBondContact O-N 3.39Å; V692-L694 VanDerWaalsContact O-N 3.16Å; V692-F695 WeakPolarHBondContact O-CD2 3.32Å; V692-F695 PolarHBondContact O-N 2.85Å
693	S	98.8	Very high	98.6	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.028	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-60.7	-24.2	177.9	-59.5	0	0	0	0	114.2	F652 G690 Y691	F652-S693 PolarHBondContact O-OG 2.92Å; G690-S693 VanDerWaalsContact O-CB 3.31Å; G690-S693 WeakPolarHBondContact O-CB 3.21Å; G690-S693 PolarHBondContact O-N 2.91Å; G690-S693 VanDerWaalsContact O-N 3.15Å; Y691-S693 VanDerWaalsContact C-N 3.26Å; Y691-S693 PolarHBondContact O-N 3.32Å
694	L	98.9	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-91.3	-7.4	-177	-61.7	-179.9	0	0	0	113.3	Y691 V692 P696 L697 L698 L712 L716 L722 L728	Y691-L694 PolarHBondContact O-N 3.13Å; V692-L694 PolarHBondContact O-N 3.39Å; V692-L694 VanDerWaalsContact O-N 3.16Å; L694-P696 VanDerWaalsContact C-CD 3.49Å; L694-P696 VanDerWaalsContact C-N 3.35Å; L694-P696 VanDerWaalsContact O-N 3.16Å; L694-L697 HydrophobicContact CD2-CD2 4.45Å; L694-L697 CarbonylContact O-C 3.54Å; L694-L697 WeakPolarHBondContact O-CA 3.39Å; L694-L697 VanDerWaalsContact O-CB 3.31Å; L694-L697 WeakPolarHBondContact O-CB 3.31Å; L694-L697 PolarHBondContact O-N 2.98Å; L694-L698 HydrophobicContact CB-CD1 3.93Å; L694-L698 HydrophobicContact CB-CD2 4.31Å; L694-L698 HydrophobicContact CB-CG 3.81Å; L694-L698 WeakPolarHBondContact O-CG 3.29Å; L694-L698 PolarHBondContact O-N 3.07Å; L694-L712 HydrophobicContact CD2-CD2 4.48Å; L694-L716 HydrophobicContact CD1-CD1 4.15Å; L694-L716 HydrophobicContact CD2-CB 4.46Å; L694-L722 HydrophobicContact CD1-CD1 3.68Å; L694-L722 HydrophobicContact CD2-CD1 4.3Å; L694-L722 HydrophobicContact CG-CD1 4.04Å; L694-L728 HydrophobicContact CD1-CD1 4.46Å
695	F	98.9	Very high	98.5	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.022	12%	0.116	C	C	.	.	H	α-helix	trans	-53.2	-39.2	-171.6	-91.7	-101.4	0	0	0	115.9	D599 C602 W603 Y691 V692 L697 L698 L699	D599-F695 HydrophobicContact CB-CD1 3.86Å; D599-F695 HydrophobicContact CB-CD2 3.79Å; D599-F695 HydrophobicContact CB-CE1 3.89Å; D599-F695 HydrophobicContact CB-CE2 3.79Å; D599-F695 HydrophobicContact CB-CG 3.8Å; D599-F695 HydrophobicContact CB-CZ 3.83Å; C602-F695 HydrophobicContact CB-CB 3.88Å; C602-F695 HydrophobicContact CB-CD1 4.28Å; W603-F695 AromaticContact CE2-CE1 3.62Å; W603-F695 AromaticContact CZ2-CE1 3.79Å; W603-F695 HydrophobicContact CZ2-CE1 3.79Å; W603-F695 AromaticContact NE1-CE1 3.31Å; W603-F695 VanDerWaalsContact NE1-CE1 3.31Å; Y691-F695 WeakPolarHBondContact O-CD2 3.16Å; V692-F695 WeakPolarHBondContact O-CD2 3.32Å; V692-F695 PolarHBondContact O-N 2.85Å; F695-L697 VanDerWaalsContact C-N 3.27Å; F695-L697 PolarHBondContact O-N 2.89Å; F695-L698 HydrophobicContact CD2-CD1 4.05Å; F695-L698 HydrophobicContact CE2-CD1 4.26Å; F695-L698 HydrophobicContact CG-CD1 4.4Å; F695-L698 PolarHBondContact O-N 3.36Å; F695-L699 HydrophobicContact CD1-CD1 4.13Å; F695-L699 HydrophobicContact CD1-CG 4.37Å; F695-L699 PolarHBondContact O-N 2.94Å
696	P	98.8	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.6	-37.5	173	-27.5	37.1	0	0	0	113.6	L598 L640 F652 L694 L701 L702	L598-P696 HydrophobicContact CD1-CG 3.96Å; L640-P696 HydrophobicContact CD2-CB 4.03Å; L640-P696 HydrophobicContact CD2-CG 4.05Å; F652-P696 HydrophobicContact CB-CG 4.43Å; F652-P696 HydrophobicContact CD2-CB 4.26Å; F652-P696 HydrophobicContact CD2-CG 3.77Å; F652-P696 HydrophobicContact CE2-CB 4.2Å; F652-P696 HydrophobicContact CE2-CG 4.14Å; F652-P696 HydrophobicContact CG-CG 4.06Å; L694-P696 VanDerWaalsContact C-CD 3.49Å; L694-P696 VanDerWaalsContact C-N 3.35Å; L694-P696 VanDerWaalsContact O-N 3.16Å; P696-L701 WeakPolarHBondContact O-CB 3.38Å; P696-L701 PolarHBondContact O-N 3.31Å; P696-L702 HydrophobicContact CB-CD1 4.26Å; P696-L702 HydrophobicContact CB-CD2 3.94Å; P696-L702 HydrophobicContact CB-CG 4Å
697	L	98.8	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.4	-52.1	172.7	171.1	70.4	0	0	0	110.9	L694 F695 L699 R700 L709 L712 L713 L716 A765 Y769	L694-L697 HydrophobicContact CD2-CD2 4.45Å; L694-L697 CarbonylContact O-C 3.54Å; L694-L697 WeakPolarHBondContact O-CA 3.39Å; L694-L697 VanDerWaalsContact O-CB 3.31Å; L694-L697 WeakPolarHBondContact O-CB 3.31Å; L694-L697 PolarHBondContact O-N 2.98Å; F695-L697 VanDerWaalsContact C-N 3.27Å; F695-L697 PolarHBondContact O-N 2.89Å; L697-L699 PolarHBondContact O-N 2.98Å; L697-R700 PolarHBondContact O-N 3.36Å; L697-L709 HydrophobicContact CD1-CD1 3.66Å; L697-L712 HydrophobicContact CB-CD1 4Å; L697-L713 HydrophobicContact CD2-CD2 4.31Å; L697-L716 HydrophobicContact CD2-CD1 3.76Å; L697-A765 HydrophobicContact CD1-CB 4.28Å; L697-A765 HydrophobicContact CG-CB 4.28Å; L697-A765 WeakPolarHBondContact O-CB 3.22Å; L697-Y769 HydrophobicContact CD1-CD2 3.71Å; L697-Y769 HydrophobicContact CD1-CE2 3.55Å
698	L	98.9	Very high	98.4	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-56.5	-37.3	-173.8	-64.4	173.5	0	0	0	112.7	L694 F695 V758 L761 A762	L694-L698 HydrophobicContact CB-CD1 3.93Å; L694-L698 HydrophobicContact CB-CD2 4.31Å; L694-L698 HydrophobicContact CB-CG 3.81Å; L694-L698 WeakPolarHBondContact O-CG 3.29Å; L694-L698 PolarHBondContact O-N 3.07Å; F695-L698 HydrophobicContact CD2-CD1 4.05Å; F695-L698 HydrophobicContact CE2-CD1 4.26Å; F695-L698 HydrophobicContact CG-CD1 4.4Å; F695-L698 PolarHBondContact O-N 3.36Å; L698-V758 HydrophobicContact CD1-CG1 3.7Å; L698-V758 HydrophobicContact CD2-CG1 4.19Å; L698-L761 HydrophobicContact CB-CB 4.28Å; L698-L761 HydrophobicContact CD2-CB 4.28Å; L698-A762 HydrophobicContact CD2-CB 3.61Å
699	L	98.7	Very high	98.5	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	15	-178.6	-56.2	-170.9	0	0	0	113.6	C602 W603 L606 R609 F695 L697 L701 L761	C602-L699 HydrophobicContact CB-CD1 3.93Å; W603-L699 HydrophobicContact CD2-CD1 3.89Å; W603-L699 HydrophobicContact CE3-CD1 3.68Å; W603-L699 HydrophobicContact CE3-CD2 4.45Å; W603-L699 HydrophobicContact CG-CD1 4.46Å; W603-L699 HydrophobicContact CH2-CD1 4.38Å; W603-L699 HydrophobicContact CH2-CD2 3.88Å; W603-L699 HydrophobicContact CZ3-CD1 3.94Å; W603-L699 HydrophobicContact CZ3-CD2 3.85Å; L606-L699 HydrophobicContact CB-CD1 4.28Å; L606-L699 HydrophobicContact CD2-CD1 4.22Å; L606-L699 HydrophobicContact CD2-CD2 4.21Å; R609-L699 PolarHBondContact NH2-O 3.36Å; F695-L699 HydrophobicContact CD1-CD1 4.13Å; F695-L699 HydrophobicContact CD1-CG 4.37Å; F695-L699 PolarHBondContact O-N 2.94Å; L697-L699 PolarHBondContact O-N 2.98Å; L699-L701 HydrophobicContact CB-CD1 4.31Å; L699-L701 HydrophobicContact CB-CG 4.09Å; L699-L701 PolarHBondContact O-N 3.4Å; L699-L761 HydrophobicContact CD2-CD1 4.17Å
700	R	98.4	Very high	98.4	Very high	83 Å²	83	25.5 Å²	25.5	31%	0.313	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	53.1	175.9	-52	173.7	-171.2	154.9	7.4	111.5	R609 L697 G764 A765 H768 Y769 Y837	R609-R700 PolarHBondContact NH1-O 3.1Å; L697-R700 PolarHBondContact O-N 3.36Å; R700-G764 PolarHBondContact NE-O 2.86Å; R700-G764 PolarHBondContact NH2-O 2.64Å; R700-A765 HydrophobicContact CG-CB 4.41Å; R700-H768 HydrophobicContact CG-CB 4.44Å; R700-Y769 WeakPolarHBondContact CA-OH 3.37Å; R700-Y837 PolarHBondContact NH2-OXT 3.35Å
701	L	98.3	Very high	98.4	Very high	18 Å²	18	27.3 Å²	27.3	9%	0.094	15%	0.147	C	C	.	.			trans	-104.2	-3.7	-178	-59.2	179.1	0	0	0	113.5	C602 A605 P696 L699	C602-L701 HydrophobicContact CB-CD1 3.63Å; A605-L701 HydrophobicContact CB-CD1 3.99Å; A605-L701 HydrophobicContact CB-CD2 4.08Å; P696-L701 WeakPolarHBondContact O-CB 3.38Å; P696-L701 PolarHBondContact O-N 3.31Å; L699-L701 HydrophobicContact CB-CD1 4.31Å; L699-L701 HydrophobicContact CB-CG 4.09Å; L699-L701 PolarHBondContact O-N 3.4Å
702	L	98.3	Very high	98.4	Very high	17 Å²	17	27.3 Å²	27.3	9%	0.089	15%	0.147	C	C	.	.	S	Bend	trans	-100.9	142.2	-178.9	-60.2	178.6	0	0	0	110	L640 F652 P696 L709 L712 Y769	L640-L702 HydrophobicContact CD2-CD2 4.24Å; F652-L702 HydrophobicContact CE2-CD2 4.23Å; F652-L702 HydrophobicContact CZ-CD2 4.34Å; P696-L702 HydrophobicContact CB-CD1 4.26Å; P696-L702 HydrophobicContact CB-CD2 3.94Å; P696-L702 HydrophobicContact CB-CG 4Å; L702-L709 HydrophobicContact CD1-CB 4.46Å; L702-L709 HydrophobicContact CD1-CD1 4.43Å; L702-L712 HydrophobicContact CD1-CD1 3.72Å; L702-Y769 PolarHBondContact N-OH 3.18Å; L702-Y769 WeakPolarHBondContact O-CE1 3.17Å; L702-Y769 PolarHBondContact O-OH 3.1Å
703	D	97.8	Very high	98.4	Very high	96 Å²	96	27.2 Å²	27.2	51%	0.513	15%	0.147	S	C	.	.			trans	-63.4	143.1	166	-173.7	-90.8	0	0	0	110.3	N705 S706	D703-N705 PolarHBondContact O-N 3.05Å; D703-N705 VanDerWaalsContact O-N 3.1Å; D703-N705 WeakPolarHBondContact OD1-CA 3.45Å; D703-N705 VanDerWaalsContact OD1-CB 3.25Å; D703-N705 WeakPolarHBondContact OD1-CB 3.27Å; D703-N705 PolarHBondContact OD1-N 2.8Å; D703-N705 PolarHBondContact OD1-ND2 2.82Å; D703-S706 WeakPolarHBondContact O-CB 3.19Å; D703-S706 PolarHBondContact O-N 3.3Å
704	P	98.1	Very high	98.4	Very high	24 Å²	24	31 Å²	31	16%	0.156	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.6	176.3	-27.4	35.8	0	0	0	114.7	Y769 L772	P704-Y769 HydrophobicContact CG-CD1 4.44Å; P704-L772 HydrophobicContact CG-CB 4.15Å; P704-L772 HydrophobicContact CG-CD1 3.73Å
705	N	97.8	Very high	98.3	Very high	104 Å²	104	31.9 Å²	31.9	56%	0.556	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	5	176.9	-53.6	-70.4	0	0	0	113.1	D703 S707 P775	D703-N705 PolarHBondContact O-N 3.05Å; D703-N705 VanDerWaalsContact O-N 3.1Å; D703-N705 WeakPolarHBondContact OD1-CA 3.45Å; D703-N705 VanDerWaalsContact OD1-CB 3.25Å; D703-N705 WeakPolarHBondContact OD1-CB 3.27Å; D703-N705 PolarHBondContact OD1-N 2.8Å; D703-N705 PolarHBondContact OD1-ND2 2.82Å; N705-S707 PolarHBondContact O-N 3.05Å; N705-P775 WeakPolarHBondContact OD1-CD 3.3Å
706	S	97.9	Very high	98.2	Very high	19 Å²	19	31.6 Å²	31.6	13%	0.133	17%	0.17	C	C	.	.			trans	-58	128.9	178	177.1	0	0	0	0	111	D703 R708 L709	D703-S706 WeakPolarHBondContact O-CB 3.19Å; D703-S706 PolarHBondContact O-N 3.3Å; S706-R708 PolarHBondContact O-N 2.73Å; S706-R708 PolarHBondContact OG-N 3.26Å; S706-L709 WeakPolarHBondContact O-CB 3.12Å; S706-L709 PolarHBondContact O-N 2.95Å
707	S	97.4	Very high	98.2	Very high	82 Å²	82	33.2 Å²	33.2	57%	0.573	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.1	174.1	68	0	0	0	0	113.7	N705 P711	N705-S707 PolarHBondContact O-N 3.05Å; S707-P711 VanDerWaalsContact O-CD 3.29Å; S707-P711 WeakPolarHBondContact O-CD 3.21Å
708	R	98.3	Very high	98.1	Very high	63 Å²	63	34.8 Å²	34.8	24%	0.238	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-18.8	178.7	-47.8	-49.2	-177.7	-158.8	-4.3	113	D641 W645 F652 S706 P711 L712	D641-R708 IonicContact OD1-NE 3.49Å; D641-R708 IonicContact OD2-CZ 3.29Å; D641-R708 VanDerWaalsContact OD2-CZ 3.24Å; D641-R708 IonicContact OD2-NE 3.85Å; D641-R708 PolarHBondContact OD2-NE 2.81Å; D641-R708 IonicContact OD2-NH2 2.73Å; D641-R708 PolarHBondContact OD2-NH2 2.83Å; W645-R708 HydrophobicContact CD2-CG 4.42Å; W645-R708 HydrophobicContact CE3-CB 4.3Å; W645-R708 HydrophobicContact CE3-CG 4.07Å; W645-R708 HydrophobicContact CH2-CB 4.42Å; W645-R708 HydrophobicContact CZ3-CB 3.95Å; W645-R708 HydrophobicContact CZ3-CG 4.14Å; F652-R708 HydrophobicContact CE2-CB 3.77Å; F652-R708 HydrophobicContact CE2-CG 4.24Å; F652-R708 HydrophobicContact CZ-CB 3.89Å; F652-R708 HydrophobicContact CZ-CG 3.83Å; S706-R708 PolarHBondContact O-N 2.73Å; S706-R708 PolarHBondContact OG-N 3.26Å; R708-P711 WeakPolarHBondContact O-CD 3.42Å; R708-L712 WeakPolarHBondContact O-CG 3.27Å; R708-L712 PolarHBondContact O-N 2.71Å
709	L	98.6	Very high	98.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-48.2	-177.9	179.7	57.1	0	0	0	111.6	L697 L702 S706 L712 L713 Y769 H776	L697-L709 HydrophobicContact CD1-CD1 3.66Å; L702-L709 HydrophobicContact CD1-CB 4.46Å; L702-L709 HydrophobicContact CD1-CD1 4.43Å; S706-L709 WeakPolarHBondContact O-CB 3.12Å; S706-L709 PolarHBondContact O-N 2.95Å; L709-L712 PolarHBondContact O-N 2.79Å; L709-L713 HydrophobicContact CD1-CD1 4.3Å; L709-L713 HydrophobicContact CD1-CG 4.22Å; L709-L713 HydrophobicContact CG-CD1 4.19Å; L709-L713 WeakPolarHBondContact O-CG 3.48Å; L709-L713 PolarHBondContact O-N 3Å; L709-Y769 HydrophobicContact CD1-CD2 4.49Å; L709-Y769 HydrophobicContact CD2-CD1 3.84Å; L709-Y769 HydrophobicContact CD2-CE1 4.13Å; L709-Y769 HydrophobicContact CD2-CG 4.26Å; L709-H776 HydrophobicContact CD2-CB 4.23Å; L709-H776 HydrophobicContact CG-CB 4.46Å
710	G	98.4	Very high	98	Very high	4 Å²	4	46.1 Å²	46.1	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-51.7	-55.9	176.6	0	0	0	0	0	113.7	L712 L713 D714 H776	G710-L712 VanDerWaalsContact C-N 3.32Å; G710-L712 PolarHBondContact O-N 3.16Å; G710-L713 WeakPolarHBondContact O-CB 3.49Å; G710-L713 PolarHBondContact O-N 3.17Å; G710-L713 VanDerWaalsContact O-N 3.07Å; G710-D714 PolarHBondContact O-N 3.36Å; G710-H776 WeakPolarHBondContact CA-NE2 3.47Å; G710-H776 PolarHBondContact N-NE2 2.86Å
711	P	98.3	Very high	97.9	Very high	39 Å²	39	44.1 Å²	44.1	25%	0.253	24%	0.24	S	C	.	.	H	α-helix	trans	-55.6	-38.9	176.4	-29.5	35.3	0	0	0	114.8	W645 S707 R708 D714 I715	W645-P711 HydrophobicContact CH2-CB 4.04Å; W645-P711 HydrophobicContact CH2-CG 4.29Å; S707-P711 VanDerWaalsContact O-CD 3.29Å; S707-P711 WeakPolarHBondContact O-CD 3.21Å; R708-P711 WeakPolarHBondContact O-CD 3.42Å; P711-D714 WeakPolarHBondContact O-CB 3.24Å; P711-D714 PolarHBondContact O-N 3.35Å; P711-I715 WeakPolarHBondContact O-CG1 3.23Å; P711-I715 PolarHBondContact O-N 2.93Å
712	L	98.6	Very high	98	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-38.7	175.9	-67	-175.8	0	0	0	111.9	V651 F652 L694 L697 L702 R708 L709 G710 D714 I715 L716	V651-L712 HydrophobicContact CG2-CD2 3.76Å; F652-L712 HydrophobicContact CD2-CD1 4.05Å; F652-L712 HydrophobicContact CD2-CD2 4.3Å; F652-L712 HydrophobicContact CE2-CD1 4.18Å; L694-L712 HydrophobicContact CD2-CD2 4.48Å; L697-L712 HydrophobicContact CB-CD1 4Å; L702-L712 HydrophobicContact CD1-CD1 3.72Å; R708-L712 WeakPolarHBondContact O-CG 3.27Å; R708-L712 PolarHBondContact O-N 2.71Å; L709-L712 PolarHBondContact O-N 2.79Å; G710-L712 VanDerWaalsContact C-N 3.32Å; G710-L712 PolarHBondContact O-N 3.16Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-I715 PolarHBondContact O-N 3.15Å; L712-L716 VanDerWaalsContact O-CB 3.23Å; L712-L716 WeakPolarHBondContact O-CB 3.38Å; L712-L716 PolarHBondContact O-N 3.41Å
713	L	98.8	Very high	98	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-31.1	174.5	-63.2	176.4	0	0	0	112.4	L697 L709 G710 A717 L766 H776 R779 L783	L697-L713 HydrophobicContact CD2-CD2 4.31Å; L709-L713 HydrophobicContact CD1-CD1 4.3Å; L709-L713 HydrophobicContact CD1-CG 4.22Å; L709-L713 HydrophobicContact CG-CD1 4.19Å; L709-L713 WeakPolarHBondContact O-CG 3.48Å; L709-L713 PolarHBondContact O-N 3Å; G710-L713 WeakPolarHBondContact O-CB 3.49Å; G710-L713 PolarHBondContact O-N 3.17Å; G710-L713 VanDerWaalsContact O-N 3.07Å; L713-A717 VanDerWaalsContact O-CB 3.23Å; L713-A717 WeakPolarHBondContact O-CB 3.32Å; L713-A717 PolarHBondContact O-N 3.3Å; L713-A717 VanDerWaalsContact O-N 3.13Å; L713-L766 HydrophobicContact CD2-CD2 3.57Å; L713-H776 HydrophobicContact CD1-CB 3.81Å; L713-R779 PolarHBondContact O-NH2 3.48Å; L713-L783 HydrophobicContact CB-CD1 4.28Å; L713-L783 HydrophobicContact CD2-CD1 4.19Å
714	D	98.1	Very high	98	Very high	82 Å²	82	39.6 Å²	39.6	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-52.5	171.2	-70.9	-42.8	0	0	0	111.3	G710 P711 L712 L716 A717 D718 R779	G710-D714 PolarHBondContact O-N 3.36Å; P711-D714 WeakPolarHBondContact O-CB 3.24Å; P711-D714 PolarHBondContact O-N 3.35Å; L712-D714 VanDerWaalsContact C-N 3.33Å; D714-L716 VanDerWaalsContact C-N 3.35Å; D714-L716 PolarHBondContact O-N 3.49Å; D714-A717 PolarHBondContact O-N 2.75Å; D714-D718 PolarHBondContact O-N 2.8Å; D714-D718 VanDerWaalsContact O-N 3.1Å; D714-R779 IonicContact OD1-CZ 3.52Å; D714-R779 IonicContact OD1-NH1 2.65Å; D714-R779 PolarHBondContact OD1-NH1 3.06Å; D714-R779 IonicContact OD1-NH2 2.56Å; D714-R779 PolarHBondContact OD1-NH2 2.87Å; D714-R779 IonicContact OD2-NH1 3Å
715	I	96.4	Very high	98.1	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.097	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-42.1	-179.2	-72.2	167.6	0	0	0	111.6	V651 L689 P711 L712 A717 D718 L722	V651-I715 HydrophobicContact CB-CD1 3.8Å; V651-I715 HydrophobicContact CG2-CD1 3.71Å; L689-I715 HydrophobicContact CD1-CD1 3.92Å; L689-I715 HydrophobicContact CD1-CG1 4.12Å; L689-I715 HydrophobicContact CD1-CG2 3.65Å; L689-I715 HydrophobicContact CD2-CG2 3.35Å; L689-I715 HydrophobicContact CG-CG2 3.77Å; P711-I715 WeakPolarHBondContact O-CG1 3.23Å; P711-I715 PolarHBondContact O-N 2.93Å; L712-I715 PolarHBondContact O-N 3.15Å; I715-A717 VanDerWaalsContact C-N 3.33Å; I715-A717 PolarHBondContact O-N 3.3Å; I715-D718 PolarHBondContact O-N 3.01Å; I715-L722 HydrophobicContact CG2-CD1 4.04Å; I715-L722 HydrophobicContact CG2-CG 4.35Å
716	L	97.9	Very high	98.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-43.2	178.3	-175.5	153	0	0	0	111.1	L694 L697 L712 D714 W723 L728 L766 L783	L694-L716 HydrophobicContact CD1-CD1 4.15Å; L694-L716 HydrophobicContact CD2-CB 4.46Å; L697-L716 HydrophobicContact CD2-CD1 3.76Å; L712-L716 VanDerWaalsContact O-CB 3.23Å; L712-L716 WeakPolarHBondContact O-CB 3.38Å; L712-L716 PolarHBondContact O-N 3.41Å; D714-L716 VanDerWaalsContact C-N 3.35Å; D714-L716 PolarHBondContact O-N 3.49Å; L716-W723 HydrophobicContact CD2-CE3 3.89Å; L716-W723 HydrophobicContact CD2-CZ3 3.69Å; L716-W723 WeakPolarHBondContact O-CB 3.08Å; L716-W723 PolarHBondContact O-N 3Å; L716-L728 HydrophobicContact CD1-CD1 3.85Å; L716-L728 HydrophobicContact CD2-CD1 4.36Å; L716-L728 HydrophobicContact CD2-CD2 3.86Å; L716-L728 HydrophobicContact CG-CD1 3.91Å; L716-L728 HydrophobicContact CG-CD2 3.87Å; L716-L766 HydrophobicContact CD2-CD1 4.35Å; L716-L783 HydrophobicContact CD2-CD1 4.4Å
717	A	98.3	Very high	98.2	Very high	33 Å²	33	37.8 Å²	37.8	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-81.8	-11.5	-176.5	0	0	0	0	0	114.6	L713 D714 I715 S719 W723 L783	L713-A717 VanDerWaalsContact O-CB 3.23Å; L713-A717 WeakPolarHBondContact O-CB 3.32Å; L713-A717 PolarHBondContact O-N 3.3Å; L713-A717 VanDerWaalsContact O-N 3.13Å; D714-A717 PolarHBondContact O-N 2.75Å; I715-A717 VanDerWaalsContact C-N 3.33Å; I715-A717 PolarHBondContact O-N 3.3Å; A717-S719 PolarHBondContact O-N 3.44Å; A717-W723 WeakPolarHBondContact O-CB 3.32Å; A717-L783 HydrophobicContact CB-CD1 4.19Å; A717-L783 HydrophobicContact CB-CD2 3.58Å
718	D	98.1	Very high	98.2	Very high	33 Å²	33	33.9 Å²	33.9	18%	0.176	18%	0.176	C	C	.	.			trans	-79	122.7	-176.7	-167.7	-26.5	0	0	0	111.8	D714 I715 R720 H721 L722 W723	D714-D718 PolarHBondContact O-N 2.8Å; D714-D718 VanDerWaalsContact O-N 3.1Å; I715-D718 PolarHBondContact O-N 3.01Å; D718-R720 VanDerWaalsContact C-N 3.25Å; D718-R720 PolarHBondContact O-N 2.87Å; D718-R720 VanDerWaalsContact OD1-CB 3.24Å; D718-R720 WeakPolarHBondContact OD1-CB 3.45Å; D718-R720 WeakPolarHBondContact OD1-CG 3.25Å; D718-R720 PolarHBondContact OD1-N 2.84Å; D718-R720 IonicContact OD1-NE 3.61Å; D718-R720 PolarHBondContact OD1-NE 2.87Å; D718-R720 VanDerWaalsContact OD1-NE 3.16Å; D718-R720 IonicContact OD2-CZ 3.71Å; D718-R720 IonicContact OD2-NE 3.66Å; D718-R720 PolarHBondContact OD2-NE 2.96Å; D718-R720 VanDerWaalsContact OD2-NE 3.13Å; D718-R720 IonicContact OD2-NH2 2.87Å; D718-R720 PolarHBondContact OD2-NH2 3.35Å; D718-H721 HydrophobicContact CB-CB 4.19Å; D718-H721 CarbonylContact O-C 3.53Å; D718-H721 WeakPolarHBondContact O-CA 3.49Å; D718-H721 PolarHBondContact O-N 2.91Å; D718-H721 IonicContact OD2-CD2 2.7Å; D718-H721 PolarHBondContact OD2-CD2 2.85Å; D718-H721 IonicContact OD2-NE2 3.93Å; D718-L722 PolarHBondContact O-N 2.94Å; D718-L722 VanDerWaalsContact O-N 3.12Å; D718-W723 PolarHBondContact O-N 2.91Å
719	S	97.3	Very high	98.3	Very high	79 Å²	79	32 Å²	32	55%	0.552	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.1	179.4	64.1	0	0	0	0	114	A717 H721 W723 R729	A717-S719 PolarHBondContact O-N 3.44Å; S719-H721 PolarHBondContact O-N 3.04Å; S719-W723 WeakPolarHBondContact CA-O 3.36Å; S719-R729 PolarHBondContact O-NH1 3.23Å
720	R	97	Very high	98.3	Very high	170 Å²	170	31.9 Å²	31.9	64%	0.642	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-18	173.1	-55.6	173.7	-64.6	172.6	3.1	112	D718 S734	D718-R720 VanDerWaalsContact C-N 3.25Å; D718-R720 PolarHBondContact O-N 2.87Å; D718-R720 VanDerWaalsContact OD1-CB 3.24Å; D718-R720 WeakPolarHBondContact OD1-CB 3.45Å; D718-R720 WeakPolarHBondContact OD1-CG 3.25Å; D718-R720 PolarHBondContact OD1-N 2.84Å; D718-R720 IonicContact OD1-NE 3.61Å; D718-R720 PolarHBondContact OD1-NE 2.87Å; D718-R720 VanDerWaalsContact OD1-NE 3.16Å; D718-R720 IonicContact OD2-CZ 3.71Å; D718-R720 IonicContact OD2-NE 3.66Å; D718-R720 PolarHBondContact OD2-NE 2.96Å; D718-R720 VanDerWaalsContact OD2-NE 3.13Å; D718-R720 IonicContact OD2-NH2 2.87Å; D718-R720 PolarHBondContact OD2-NH2 3.35Å; R720-S734 PolarHBondContact O-N 3.1Å
721	H	97.4	Very high	98.3	Very high	42 Å²	42	31.7 Å²	31.7	19%	0.194	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-102.1	-179.2	-61	-44.3	0	0	0	110.5	L689 D718 S719 R729 A732 A733 S734	L689-H721 HydrophobicContact CD2-CB 4.07Å; D718-H721 HydrophobicContact CB-CB 4.19Å; D718-H721 CarbonylContact O-C 3.53Å; D718-H721 WeakPolarHBondContact O-CA 3.49Å; D718-H721 PolarHBondContact O-N 2.91Å; D718-H721 IonicContact OD2-CD2 2.7Å; D718-H721 PolarHBondContact OD2-CD2 2.85Å; D718-H721 IonicContact OD2-NE2 3.93Å; S719-H721 PolarHBondContact O-N 3.04Å; H721-R729 PolarHBondContact O-NH1 3.31Å; H721-A732 HydrophobicContact CB-CB 4.09Å; H721-A732 WeakPolarHBondContact O-CA 3.47Å; H721-A733 PolarHBondContact O-N 2.86Å; H721-A733 VanDerWaalsContact O-N 3.16Å; H721-S734 PolarHBondContact CE1-OG 3.41Å; H721-S734 VanDerWaalsContact CE1-OG 3.28Å; H721-S734 PolarHBondContact ND1-OG 2.96Å
722	L	98.8	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-22.5	-166.9	-56	-175.6	0	0	0	113.8	L689 L694 I715 D718 S724 L728 R729 A732	L689-L722 HydrophobicContact CD2-CD1 4.02Å; L689-L722 HydrophobicContact CD2-CD2 3.77Å; L689-L722 HydrophobicContact CD2-CG 3.76Å; L694-L722 HydrophobicContact CD1-CD1 3.68Å; L694-L722 HydrophobicContact CD2-CD1 4.3Å; L694-L722 HydrophobicContact CG-CD1 4.04Å; I715-L722 HydrophobicContact CG2-CD1 4.04Å; I715-L722 HydrophobicContact CG2-CG 4.35Å; D718-L722 PolarHBondContact O-N 2.94Å; D718-L722 VanDerWaalsContact O-N 3.12Å; L722-S724 PolarHBondContact O-N 2.82Å; L722-L728 CarbonylContact O-C 3.59Å; L722-L728 WeakPolarHBondContact O-CA 3.45Å; L722-R729 WeakPolarHBondContact O-CG 3.06Å; L722-R729 PolarHBondContact O-N 2.82Å; L722-A732 HydrophobicContact CD2-CB 4.12Å
723	W	98.9	Very high	98.3	Very high	35 Å²	35	31.6 Å²	31.6	13%	0.133	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.2	-175.5	-162.3	-96.1	0	0	0	111.9	L716 A717 D718 S719 L728 R729 L783 E786 L787	L716-W723 HydrophobicContact CD2-CE3 3.89Å; L716-W723 HydrophobicContact CD2-CZ3 3.69Å; L716-W723 WeakPolarHBondContact O-CB 3.08Å; L716-W723 PolarHBondContact O-N 3Å; A717-W723 WeakPolarHBondContact O-CB 3.32Å; D718-W723 PolarHBondContact O-N 2.91Å; S719-W723 WeakPolarHBondContact CA-O 3.36Å; W723-L728 HydrophobicContact CE3-CD2 3.63Å; W723-L728 HydrophobicContact CZ3-CD2 4.04Å; W723-R729 PolarHBondContact O-NH1 2.87Å; W723-R729 PolarHBondContact O-NH2 3.35Å; W723-L783 HydrophobicContact CH2-CD2 4.05Å; W723-L783 HydrophobicContact CZ3-CD2 3.99Å; W723-E786 HydrophobicContact CH2-CB 3.99Å; W723-E786 HydrophobicContact CZ2-CB 3.74Å; W723-L787 HydrophobicContact CH2-CB 3.7Å; W723-L787 HydrophobicContact CH2-CD1 4.45Å; W723-L787 HydrophobicContact CZ3-CB 4.01Å; W723-L787 HydrophobicContact CZ3-CD1 4.28Å
724	S	98.8	Very high	98.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	161.4	169.7	86.1	0	0	0	0	110.8	L722 F726 G727	L722-S724 PolarHBondContact O-N 2.82Å; S724-F726 PolarHBondContact O-N 2.88Å; S724-F726 PolarHBondContact OG-N 3.28Å; S724-G727 WeakPolarHBondContact CB-O 2.96Å; S724-G727 PolarHBondContact N-O 2.84Å; S724-G727 VanDerWaalsContact N-O 3.12Å; S724-G727 PolarHBondContact O-N 2.59Å; S724-G727 PolarHBondContact OG-N 2.93Å; S724-G727 PolarHBondContact OG-O 3.05Å
725	P	98.7	Very high	98.2	Very high	78 Å²	78	32.1 Å²	32.1	51%	0.506	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-4.9	173.9	-21.7	34.1	0	0	0	115
726	F	98.8	Very high	98.2	Very high	31 Å²	31	34.8 Å²	34.8	14%	0.136	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-0.2	-172.5	-42.3	-69.6	0	0	0	112.9	S724 N794 R812 D813 G814	S724-F726 PolarHBondContact O-N 2.88Å; S724-F726 PolarHBondContact OG-N 3.28Å; F726-N794 HydrophobicContact CB-CB 4.1Å; F726-N794 HydrophobicContact CD1-CB 4.24Å; F726-N794 VanDerWaalsContact CD1-OD1 3.25Å; F726-N794 WeakPolarHBondContact CD1-OD1 3.38Å; F726-R812 WeakPolarHBondContact CE2-O 3.32Å; F726-D813 VanDerWaalsContact CZ-C 3.43Å; F726-G814 VanDerWaalsContact CD1-CA 3.5Å; F726-G814 VanDerWaalsContact CG-CA 3.48Å
727	G	98.8	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.7	-175.6	-174.9	0	0	0	0	0	113.1	S724	S724-G727 WeakPolarHBondContact CB-O 2.96Å; S724-G727 PolarHBondContact N-O 2.84Å; S724-G727 VanDerWaalsContact N-O 3.12Å; S724-G727 PolarHBondContact O-N 2.59Å; S724-G727 PolarHBondContact OG-N 2.93Å; S724-G727 PolarHBondContact OG-O 3.05Å
728	L	98.9	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.4	177.8	-57.5	-178.3	0	0	0	111.1	Y691 L694 L716 L722 W723 N759 A762 L787	Y691-L728 HydrophobicContact CE1-CB 4.09Å; Y691-L728 WeakPolarHBondContact CE1-O 3.48Å; Y691-L728 PolarHBondContact OH-O 2.95Å; L694-L728 HydrophobicContact CD1-CD1 4.46Å; L716-L728 HydrophobicContact CD1-CD1 3.85Å; L716-L728 HydrophobicContact CD2-CD1 4.36Å; L716-L728 HydrophobicContact CD2-CD2 3.86Å; L716-L728 HydrophobicContact CG-CD1 3.91Å; L716-L728 HydrophobicContact CG-CD2 3.87Å; L722-L728 CarbonylContact O-C 3.59Å; L722-L728 WeakPolarHBondContact O-CA 3.45Å; W723-L728 HydrophobicContact CE3-CD2 3.63Å; W723-L728 HydrophobicContact CZ3-CD2 4.04Å; L728-N759 WeakPolarHBondContact CB-OD1 3.44Å; L728-N759 PolarHBondContact N-OD1 3.02Å; L728-N759 PolarHBondContact O-ND2 2.82Å; L728-A762 HydrophobicContact CD1-CB 3.61Å; L728-L787 HydrophobicContact CD1-CD2 3.86Å; L728-L787 HydrophobicContact CD2-CD1 3.99Å; L728-L787 HydrophobicContact CD2-CD2 4.34Å; L728-L787 HydrophobicContact CG-CD1 3.8Å; L728-L787 HydrophobicContact CG-CD2 3.87Å
729	R	98.9	Very high	98.2	Very high	23 Å²	23	35.2 Å²	35.2	9%	0.087	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-69.2	142.3	173.5	-60.3	-169.9	-176	85	10.7	111.5	Y691 S719 H721 L722 W723 L731 G752 D811	Y691-R729 WeakPolarHBondContact CD1-O 3.32Å; Y691-R729 WeakPolarHBondContact CE1-O 3.47Å; S719-R729 PolarHBondContact O-NH1 3.23Å; H721-R729 PolarHBondContact O-NH1 3.31Å; L722-R729 WeakPolarHBondContact O-CG 3.06Å; L722-R729 PolarHBondContact O-N 2.82Å; W723-R729 PolarHBondContact O-NH1 2.87Å; W723-R729 PolarHBondContact O-NH2 3.35Å; R729-L731 WeakPolarHBondContact CB-O 3.38Å; R729-L731 PolarHBondContact O-N 3.47Å; R729-G752 WeakPolarHBondContact CA-O 3.5Å; R729-G752 VanDerWaalsContact CB-O 3.32Å; R729-G752 WeakPolarHBondContact CB-O 3.22Å; R729-D811 VanDerWaalsContact CD-OD2 3.29Å; R729-D811 WeakPolarHBondContact CD-OD2 3.17Å; R729-D811 HydrophobicContact CG-CB 3.72Å; R729-D811 IonicContact CZ-OD2 2.65Å; R729-D811 IonicContact NE-OD2 3.91Å; R729-D811 PolarHBondContact NE-OD2 3.12Å
730	S	98.9	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-59.9	-33.5	171.2	43.3	0	0	0	0	113.6	Y585 G690 Y691 W750 R751 G752 A753	Y585-S730 WeakPolarHBondContact CE2-O 3.23Å; G690-S730 VanDerWaalsContact CA-O 3.3Å; G690-S730 WeakPolarHBondContact CA-O 3.38Å; Y691-S730 VanDerWaalsContact CE2-CB 3.45Å; Y691-S730 PolarHBondContact N-O 3.22Å; Y691-S730 PolarHBondContact OH-N 3.41Å; S730-W750 VanDerWaalsContact OG-C 3.29Å; S730-R751 PolarHBondContact OG-N 2.96Å; S730-G752 PolarHBondContact OG-N 2.93Å; S730-A753 VanDerWaalsContact CB-O 3.25Å; S730-A753 WeakPolarHBondContact CB-O 3.41Å; S730-A753 PolarHBondContact N-O 3.29Å; S730-A753 PolarHBondContact OG-N 2.87Å; S730-A753 PolarHBondContact OG-O 2.9Å
731	L	98.9	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-141.7	143.7	178.4	-165.8	75.1	0	0	0	109.7	Y585 P586 A688 L689 R729 A733 F737 R751	Y585-L731 HydrophobicContact CD2-CD1 4.48Å; Y585-L731 HydrophobicContact CE2-CD1 3.92Å; P586-L731 HydrophobicContact CG-CD1 4.27Å; P586-L731 HydrophobicContact CG-CD2 3.88Å; A688-L731 HydrophobicContact CB-CD1 4.5Å; L689-L731 WeakPolarHBondContact O-CD1 3.35Å; R729-L731 WeakPolarHBondContact CB-O 3.38Å; R729-L731 PolarHBondContact O-N 3.47Å; L731-A733 PolarHBondContact O-N 3.12Å; L731-F737 HydrophobicContact CD2-CB 3.79Å; L731-R751 HydrophobicContact CD2-CB 4.32Å; L731-R751 HydrophobicContact CD2-CG 4.37Å
732	A	98.6	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.			trans	-55.9	137.1	-179.7	0	0	0	0	0	112.8	L689 H721 L722 S734 S735 Y738	L689-A732 HydrophobicContact CB-CB 4.26Å; L689-A732 HydrophobicContact CD2-CB 3.63Å; L689-A732 WeakPolarHBondContact O-CB 3.29Å; L689-A732 PolarHBondContact O-N 3.02Å; H721-A732 HydrophobicContact CB-CB 4.09Å; H721-A732 WeakPolarHBondContact O-CA 3.47Å; L722-A732 HydrophobicContact CD2-CB 4.12Å; A732-S734 PolarHBondContact O-N 3.09Å; A732-S735 WeakPolarHBondContact O-CB 3.21Å; A732-S735 PolarHBondContact O-N 3.19Å; A732-Y738 WeakPolarHBondContact O-CB 3.42Å
733	A	98.3	Very high	98.1	Very high	36 Å²	36	31.4 Å²	31.4	30%	0.298	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.3	175.1	0	0	0	0	0	112.9	H721 L731 S735 Y738	H721-A733 PolarHBondContact O-N 2.86Å; H721-A733 VanDerWaalsContact O-N 3.16Å; L731-A733 PolarHBondContact O-N 3.12Å; A733-S735 VanDerWaalsContact C-N 3.3Å; A733-S735 PolarHBondContact O-N 3.07Å; A733-Y738 HydrophobicContact CB-CD2 4.47Å; A733-Y738 HydrophobicContact CB-CE2 4.34Å
734	S	97.3	Very high	97.8	Very high	76 Å²	76	35.7 Å²	35.7	53%	0.531	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7	173.8	64.1	0	0	0	0	114.8	R720 H721 A732	R720-S734 PolarHBondContact O-N 3.1Å; H721-S734 PolarHBondContact CE1-OG 3.41Å; H721-S734 VanDerWaalsContact CE1-OG 3.28Å; H721-S734 PolarHBondContact ND1-OG 2.96Å; A732-S734 PolarHBondContact O-N 3.09Å
735	S	97.8	Very high	97.6	Very high	19 Å²	19	43.1 Å²	43.1	13%	0.133	24%	0.236	C	C	.	.	S	Bend	trans	-72.9	142.5	-177.6	-179.9	0	0	0	0	112.1	A732 A733 F737 Y738	A732-S735 WeakPolarHBondContact O-CB 3.21Å; A732-S735 PolarHBondContact O-N 3.19Å; A733-S735 VanDerWaalsContact C-N 3.3Å; A733-S735 PolarHBondContact O-N 3.07Å; S735-F737 PolarHBondContact O-N 3.45Å; S735-F737 VanDerWaalsContact O-N 3.14Å; S735-F737 PolarHBondContact OG-N 3.27Å; S735-Y738 WeakPolarHBondContact O-CB 3.47Å; S735-Y738 PolarHBondContact O-N 3.38Å; S735-Y738 VanDerWaalsContact O-N 3.09Å
736	S	95.6	Very high	97.3	Very high	74 Å²	74	42 Å²	42	52%	0.517	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.1	171.1	64.1	0	0	0	0	114.1	Q740	S736-Q740 WeakPolarHBondContact O-CG 3.3Å
737	F	97.9	Very high	97.2	Very high	5 Å²	5	45 Å²	45	2%	0.022	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5	176.7	-66.9	-82.7	0	0	0	113.5	L573 N574 P586 V662 L731 S735 G739 Q740	L573-F737 HydrophobicContact CD2-CD1 3.95Å; L573-F737 HydrophobicContact CD2-CE1 4.04Å; L573-F737 HydrophobicContact CG-CD1 4.38Å; L573-F737 HydrophobicContact CG-CE1 3.99Å; N574-F737 HydrophobicContact CB-CE1 4.21Å; P586-F737 HydrophobicContact CB-CB 4.29Å; P586-F737 HydrophobicContact CB-CD1 4.27Å; P586-F737 HydrophobicContact CB-CD2 3.69Å; P586-F737 HydrophobicContact CB-CE2 4.03Å; P586-F737 HydrophobicContact CB-CG 3.83Å; P586-F737 HydrophobicContact CB-CZ 4.46Å; P586-F737 HydrophobicContact CG-CB 3.45Å; P586-F737 VanDerWaalsContact CG-CB 3.45Å; P586-F737 HydrophobicContact CG-CD1 4.14Å; P586-F737 HydrophobicContact CG-CD2 3.81Å; P586-F737 HydrophobicContact CG-CG 3.54Å; V662-F737 HydrophobicContact CG2-CE1 4.15Å; V662-F737 HydrophobicContact CG2-CZ 3.89Å; L731-F737 HydrophobicContact CD2-CB 3.79Å; S735-F737 PolarHBondContact O-N 3.45Å; S735-F737 VanDerWaalsContact O-N 3.14Å; S735-F737 PolarHBondContact OG-N 3.27Å; F737-G739 PolarHBondContact O-N 2.95Å; F737-Q740 WeakPolarHBondContact O-CB 3.45Å; F737-Q740 PolarHBondContact O-N 2.75Å
738	Y	98.5	Very high	97.1	Very high	36 Å²	36	47.2 Å²	47.2	14%	0.141	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125.4	-179.6	173.3	-102	0	0	0	111.1	A732 A733 S735 Q740 D811 R812	A732-Y738 WeakPolarHBondContact O-CB 3.42Å; A733-Y738 HydrophobicContact CB-CD2 4.47Å; A733-Y738 HydrophobicContact CB-CE2 4.34Å; S735-Y738 WeakPolarHBondContact O-CB 3.47Å; S735-Y738 PolarHBondContact O-N 3.38Å; S735-Y738 VanDerWaalsContact O-N 3.09Å; Y738-Q740 PolarHBondContact O-N 3.19Å; Y738-Q740 VanDerWaalsContact O-N 3.11Å; Y738-D811 WeakPolarHBondContact CE2-OD2 3.46Å; Y738-D811 VanDerWaalsContact OH-CG 3.29Å; Y738-D811 PolarHBondContact OH-OD1 2.7Å; Y738-D811 PolarHBondContact OH-OD2 2.75Å; Y738-R812 VanDerWaalsContact CE1-NH2 3.31Å; Y738-R812 PolarHBondContact OH-NE 3.03Å
739	G	97.6	Very high	97.1	Very high	34 Å²	34	50 Å²	50	35%	0.351	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	11.2	-177.7	0	0	0	0	0	115.3	F737 R751	F737-G739 PolarHBondContact O-N 2.95Å; G739-R751 PolarHBondContact N-O 2.89Å
740	Q	98	Very high	97.1	Very high	93 Å²	93	49 Å²	49	44%	0.435	27%	0.27	S	S	.	.			trans	-84.4	127.1	179.9	-64.4	-60.3	-38.2	0	0	111.4	L573 S736 F737 Y738 R751	L573-Q740 HydrophobicContact CD2-CB 4.01Å; S736-Q740 WeakPolarHBondContact O-CG 3.3Å; F737-Q740 WeakPolarHBondContact O-CB 3.45Å; F737-Q740 PolarHBondContact O-N 2.75Å; Y738-Q740 PolarHBondContact O-N 3.19Å; Y738-Q740 VanDerWaalsContact O-N 3.11Å; Q740-R751 VanDerWaalsContact O-CD 3.23Å; Q740-R751 WeakPolarHBondContact O-CD 3.16Å; Q740-R751 PolarHBondContact O-NH1 2.93Å
741	R	97.6	Very high	97.1	Very high	108 Å²	108	49.2 Å²	49.2	41%	0.408	27%	0.27	S	S	.	.			trans	-61.8	148.5	168.1	69.3	-177.7	-179.7	168.6	-6.5	111.2	L664 S743 D746	L664-R741 HydrophobicContact CD1-CG 4.38Å; R741-S743 VanDerWaalsContact CD-O 3.22Å; R741-S743 WeakPolarHBondContact CD-O 3.46Å; R741-S743 WeakPolarHBondContact CG-O 3.38Å; R741-D746 CarbonylContact C-O 3.57Å; R741-D746 WeakPolarHBondContact CA-O 3.32Å; R741-D746 WeakPolarHBondContact CB-O 3.47Å
742	N	97.6	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-89.1	-28.3	179.9	-155.9	41.4	0	0	0	113.4	L572 L573 N574 D746 R751	L572-N742 WeakPolarHBondContact CA-O 3.35Å; L573-N742 PolarHBondContact N-O 3.36Å; N574-N742 PolarHBondContact N-OD1 3.08Å; N574-N742 VanDerWaalsContact O-CG 3.31Å; N574-N742 PolarHBondContact O-ND2 3.33Å; N574-N742 PolarHBondContact O-OD1 2.95Å; N742-D746 HydrophobicContact CB-CB 3.98Å; N742-D746 PolarHBondContact N-O 3.44Å; N742-R751 PolarHBondContact OD1-NH1 2.75Å; N742-R751 PolarHBondContact OD1-NH2 2.65Å
743	S	95.6	Very high	97.1	Very high	11 Å²	11	49.8 Å²	49.8	8%	0.077	28%	0.276	C	S	.	.	S	Bend	trans	-148.2	-171.3	174.9	74.6	0	0	0	0	109.3	R741 H745 D746	R741-S743 VanDerWaalsContact CD-O 3.22Å; R741-S743 WeakPolarHBondContact CD-O 3.46Å; R741-S743 WeakPolarHBondContact CG-O 3.38Å; S743-H745 PolarHBondContact O-N 3.14Å; S743-H745 PolarHBondContact OG-N 3.22Å; S743-D746 WeakPolarHBondContact CB-OD2 3.42Å; S743-D746 VanDerWaalsContact OG-CB 3.31Å; S743-D746 WeakPolarHBondContact OG-CB 3.21Å; S743-D746 PolarHBondContact OG-N 3.37Å; S743-D746 PolarHBondContact OG-OD2 2.93Å
744	E	93.6	Very high	97.1	Very high	125 Å²	125	48.2 Å²	48.2	58%	0.584	26%	0.262	S	S	*	.	S	Bend	trans	-62.9	-33.1	172.8	-174.8	169.2	-178.6	0	0	112.7	L672	L672-E744 HydrophobicContact CD2-CB 4.31Å
745	H	93.2	Very high	97.2	Very high	157 Å²	157	44.7 Å²	44.7	73%	0.727	24%	0.237	S	C	*	.	S	Bend	trans	-108.8	-8.9	-173.3	-52.6	-54.3	0	0	0	113.8	S743 P747	S743-H745 PolarHBondContact O-N 3.14Å; S743-H745 PolarHBondContact OG-N 3.22Å; H745-P747 WeakPolarHBondContact O-CD 3.41Å
746	D	93.8	Very high	97.2	Very high	53 Å²	53	44.1 Å²	44.1	28%	0.283	23%	0.233	S	C	.	.			trans	-102.7	93.9	179.1	-60.6	-45.3	0	0	0	110.6	K576 R741 N742 S743	K576-D746 IonicContact NZ-OD2 3.62Å; K576-D746 PolarHBondContact NZ-OD2 2.98Å; R741-D746 CarbonylContact C-O 3.57Å; R741-D746 WeakPolarHBondContact CA-O 3.32Å; R741-D746 WeakPolarHBondContact CB-O 3.47Å; N742-D746 HydrophobicContact CB-CB 3.98Å; N742-D746 PolarHBondContact N-O 3.44Å; S743-D746 WeakPolarHBondContact CB-OD2 3.42Å; S743-D746 VanDerWaalsContact OG-CB 3.31Å; S743-D746 WeakPolarHBondContact OG-CB 3.21Å; S743-D746 PolarHBondContact OG-N 3.37Å; S743-D746 PolarHBondContact OG-OD2 2.93Å
747	P	96.3	Very high	97.4	Very high	94 Å²	94	40.6 Å²	40.6	61%	0.61	21%	0.208	S	C	*	.			trans	-63.6	162.8	172.4	29.4	-35.5	0	0	0	111.3	H745 Y749	H745-P747 WeakPolarHBondContact O-CD 3.41Å; P747-Y749 PolarHBondContact O-N 3.4Å
748	P	97.1	Very high	97.4	Very high	47 Å²	47	40.6 Å²	40.6	31%	0.305	21%	0.209	S	C	.	.			trans	-60.4	135.3	174.4	26.4	-34.7	0	0	0	111.1	R751	P748-R751 HydrophobicContact CB-CB 3.95Å
749	Y	97.8	Very high	97.4	Very high	59 Å²	59	38.9 Å²	38.9	23%	0.231	20%	0.202	C	C	.	.	S	Bend	trans	-118.8	-76.4	-179.9	-153.7	-155.3	0	0	0	111.5	D584 P747 R751 W755 E807 Q808	D584-Y749 WeakPolarHBondContact OD1-CB 3.25Å; D584-Y749 PolarHBondContact OD2-N 3.37Å; P747-Y749 PolarHBondContact O-N 3.4Å; Y749-R751 PolarHBondContact O-N 3.45Å; Y749-R751 VanDerWaalsContact O-N 3.13Å; Y749-W755 HydrophobicContact CD1-CZ2 4.42Å; Y749-W755 AromaticContact CD2-CH2 3.93Å; Y749-W755 HydrophobicContact CD2-CH2 3.93Å; Y749-W755 AromaticContact CD2-CZ2 3.61Å; Y749-W755 HydrophobicContact CD2-CZ2 3.61Å; Y749-W755 HydrophobicContact CE1-CH2 4.08Å; Y749-W755 HydrophobicContact CE1-CZ2 4.39Å; Y749-W755 AromaticContact CE2-CH2 3.38Å; Y749-W755 HydrophobicContact CE2-CH2 3.38Å; Y749-W755 AromaticContact CE2-CZ2 3.58Å; Y749-W755 HydrophobicContact CE2-CZ2 3.58Å; Y749-W755 HydrophobicContact CG-CH2 4.49Å; Y749-W755 HydrophobicContact CG-CZ2 4.06Å; Y749-W755 AromaticContact CZ-CH2 3.47Å; Y749-W755 VanDerWaalsContact CZ-CH2 3.47Å; Y749-W755 AromaticContact CZ-CZ2 3.99Å; Y749-E807 PolarHBondContact OH-OE1 2.98Å; Y749-E807 PolarHBondContact OH-OE2 2.57Å; Y749-Q808 PolarHBondContact O-OE1 2.88Å
750	W	98.7	Very high	97.5	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.011	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	38.4	173.4	-63.2	89.8	0	0	0	112.2	W450 G581 L582 D584 Y691 S730 W755 V758 W825	W450-W750 AromaticContact CH2-CH2 3.97Å; W450-W750 HydrophobicContact CH2-CH2 3.97Å; W450-W750 AromaticContact CH2-CZ2 3.95Å; W450-W750 HydrophobicContact CH2-CZ2 3.95Å; W450-W750 HydrophobicContact CZ2-CZ2 4.25Å; G581-W750 PolarHBondContact O-NE1 3.25Å; L582-W750 HydrophobicContact CB-CD2 4.2Å; L582-W750 HydrophobicContact CB-CG 4.17Å; L582-W750 HydrophobicContact CD2-CD2 4.35Å; L582-W750 HydrophobicContact CD2-CE3 3.9Å; L582-W750 HydrophobicContact CD2-CZ3 4.32Å; L582-W750 HydrophobicContact CG-CD2 4.1Å; L582-W750 HydrophobicContact CG-CE3 4.04Å; L582-W750 HydrophobicContact CG-CZ3 4.36Å; D584-W750 WeakPolarHBondContact OD1-CA 3.48Å; D584-W750 WeakPolarHBondContact OD1-CB 3.37Å; D584-W750 PolarHBondContact OD1-N 2.93Å; Y691-W750 AromaticContact CD2-CE3 3.86Å; Y691-W750 HydrophobicContact CD2-CE3 3.86Å; Y691-W750 AromaticContact CD2-CZ3 3.81Å; Y691-W750 HydrophobicContact CD2-CZ3 3.81Å; Y691-W750 AromaticContact CE2-CE3 3.95Å; Y691-W750 HydrophobicContact CE2-CE3 3.95Å; Y691-W750 AromaticContact CE2-CZ3 3.73Å; Y691-W750 HydrophobicContact CE2-CZ3 3.73Å; S730-W750 VanDerWaalsContact OG-C 3.29Å; W750-W755 HydrophobicContact CD2-CD2 4.4Å; W750-W755 AromaticContact CD2-CE2 3.85Å; W750-W755 HydrophobicContact CD2-CZ2 4.13Å; W750-W755 AromaticContact CD2-NE1 3.82Å; W750-W755 AromaticContact CE2-CE2 3.77Å; W750-W755 AromaticContact CE2-CZ2 3.73Å; W750-W755 AromaticContact CE3-CD1 3.61Å; W750-W755 HydrophobicContact CE3-CD2 4.14Å; W750-W755 AromaticContact CE3-CE2 3.92Å; W750-W755 AromaticContact CE3-CG 3.9Å; W750-W755 HydrophobicContact CE3-CG 3.9Å; W750-W755 AromaticContact CE3-NE1 3.63Å; W750-W755 HydrophobicContact CH2-CB 3.91Å; W750-W755 AromaticContact CH2-CD2 3.41Å; W750-W755 HydrophobicContact CH2-CD2 3.41Å; W750-W755 VanDerWaalsContact CH2-CD2 3.41Å; W750-W755 AromaticContact CH2-CE2 3.86Å; W750-W755 AromaticContact CH2-CE3 3.71Å; W750-W755 HydrophobicContact CH2-CE3 3.71Å; W750-W755 AromaticContact CH2-CG 3.56Å; W750-W755 HydrophobicContact CH2-CG 3.56Å; W750-W755 HydrophobicContact CH2-CZ2 4.44Å; W750-W755 HydrophobicContact CH2-CZ3 4.34Å; W750-W755 AromaticContact CZ2-CD2 3.71Å; W750-W755 HydrophobicContact CZ2-CD2 3.71Å; W750-W755 AromaticContact CZ2-CE2 3.79Å; W750-W755 AromaticContact CZ2-CE3 3.82Å; W750-W755 HydrophobicContact CZ2-CE3 3.82Å; W750-W755 HydrophobicContact CZ2-CG 4.3Å; W750-W755 HydrophobicContact CZ2-CH2 4Å; W750-W755 AromaticContact CZ2-CZ2 3.91Å; W750-W755 HydrophobicContact CZ2-CZ2 3.91Å; W750-W755 AromaticContact CZ2-CZ3 3.98Å; W750-W755 HydrophobicContact CZ2-CZ3 3.98Å; W750-W755 HydrophobicContact CZ3-CB 3.71Å; W750-W755 AromaticContact CZ3-CD1 3.54Å; W750-W755 AromaticContact CZ3-CD2 3.67Å; W750-W755 HydrophobicContact CZ3-CD2 3.67Å; W750-W755 AromaticContact CZ3-CE2 3.94Å; W750-W755 HydrophobicContact CZ3-CE3 4.41Å; W750-W755 AromaticContact CZ3-CG 3.34Å; W750-W755 HydrophobicContact CZ3-CG 3.34Å; W750-W755 AromaticContact CZ3-NE1 3.89Å; W750-W755 AromaticContact NE1-CZ2 3.94Å; W750-V758 HydrophobicContact CZ3-CG2 4.32Å; W750-W825 HydrophobicContact CH2-CZ2 4.35Å; W750-W825 HydrophobicContact CZ2-CH2 4.31Å; W750-W825 HydrophobicContact CZ2-CZ2 4.3Å
751	R	98.7	Very high	97.5	Very high	3 Å²	3	34 Å²	34	1%	0.011	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	36.7	-173.5	-66.4	-177.7	178.4	176.1	4.9	113.8	D584 S730 L731 G739 Q740 N742 P748 Y749	D584-R751 VanDerWaalsContact O-CZ 3.32Å; D584-R751 PolarHBondContact O-NE 3.47Å; D584-R751 PolarHBondContact O-NH2 3.39Å; D584-R751 VanDerWaalsContact OD2-CD 3.25Å; D584-R751 WeakPolarHBondContact OD2-CD 3.3Å; D584-R751 WeakPolarHBondContact OD2-CG 2.83Å; D584-R751 IonicContact OD2-CZ 3.79Å; D584-R751 IonicContact OD2-NE 2.68Å; D584-R751 PolarHBondContact OD2-NE 3.39Å; S730-R751 PolarHBondContact OG-N 2.96Å; L731-R751 HydrophobicContact CD2-CB 4.32Å; L731-R751 HydrophobicContact CD2-CG 4.37Å; G739-R751 PolarHBondContact N-O 2.89Å; Q740-R751 VanDerWaalsContact O-CD 3.23Å; Q740-R751 WeakPolarHBondContact O-CD 3.16Å; Q740-R751 PolarHBondContact O-NH1 2.93Å; N742-R751 PolarHBondContact OD1-NH1 2.75Å; N742-R751 PolarHBondContact OD1-NH2 2.65Å; P748-R751 HydrophobicContact CB-CB 3.95Å; Y749-R751 PolarHBondContact O-N 3.45Å; Y749-R751 VanDerWaalsContact O-N 3.13Å
752	G	98.6	Very high	97.6	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	143.9	-34.5	173.9	0	0	0	0	0	113.8	R729 S730 D811	R729-G752 WeakPolarHBondContact CA-O 3.5Å; R729-G752 VanDerWaalsContact CB-O 3.32Å; R729-G752 WeakPolarHBondContact CB-O 3.22Å; S730-G752 PolarHBondContact OG-N 2.93Å; G752-D811 WeakPolarHBondContact O-CB 3.27Å
753	A	98.8	Very high	97.7	Very high	11 Å²	11	28.9 Å²	28.9	9%	0.091	15%	0.151	C	C	.	.			trans	-59	155.6	-179.9	0	0	0	0	0	112.5	S730 Q808	S730-A753 VanDerWaalsContact CB-O 3.25Å; S730-A753 WeakPolarHBondContact CB-O 3.41Å; S730-A753 PolarHBondContact N-O 3.29Å; S730-A753 PolarHBondContact OG-N 2.87Å; S730-A753 PolarHBondContact OG-O 2.9Å; A753-Q808 HydrophobicContact CB-CB 4.28Å; A753-Q808 HydrophobicContact CB-CG 4.42Å
754	V	98.9	Very high	97.8	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-95.2	128.5	-179.9	178	0	0	0	0	109.7	Q808 Y809 D811	V754-Q808 WeakPolarHBondContact O-CA 3.19Å; V754-Y809 PolarHBondContact N-O 3.05Å; V754-Y809 PolarHBondContact O-N 3.04Å; V754-D811 HydrophobicContact CG2-CB 4.11Å
755	W	98.9	Very high	98.1	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.12	C	C	.	.			trans	-122.7	133.8	-177.2	-65.8	82.9	0	0	0	111.8	Y691 Y749 W750 N757 N759 E807 Q808 W825	Y691-W755 HydrophobicContact CE2-CB 4Å; Y691-W755 AromaticContact CE2-CD1 3.94Å; Y691-W755 HydrophobicContact CE2-CG 4.27Å; Y691-W755 PolarHBondContact OH-N 2.83Å; Y691-W755 VanDerWaalsContact OH-N 3.08Å; Y749-W755 HydrophobicContact CD1-CZ2 4.42Å; Y749-W755 AromaticContact CD2-CH2 3.93Å; Y749-W755 HydrophobicContact CD2-CH2 3.93Å; Y749-W755 AromaticContact CD2-CZ2 3.61Å; Y749-W755 HydrophobicContact CD2-CZ2 3.61Å; Y749-W755 HydrophobicContact CE1-CH2 4.08Å; Y749-W755 HydrophobicContact CE1-CZ2 4.39Å; Y749-W755 AromaticContact CE2-CH2 3.38Å; Y749-W755 HydrophobicContact CE2-CH2 3.38Å; Y749-W755 AromaticContact CE2-CZ2 3.58Å; Y749-W755 HydrophobicContact CE2-CZ2 3.58Å; Y749-W755 HydrophobicContact CG-CH2 4.49Å; Y749-W755 HydrophobicContact CG-CZ2 4.06Å; Y749-W755 AromaticContact CZ-CH2 3.47Å; Y749-W755 VanDerWaalsContact CZ-CH2 3.47Å; Y749-W755 AromaticContact CZ-CZ2 3.99Å; W750-W755 HydrophobicContact CD2-CD2 4.4Å; W750-W755 AromaticContact CD2-CE2 3.85Å; W750-W755 HydrophobicContact CD2-CZ2 4.13Å; W750-W755 AromaticContact CD2-NE1 3.82Å; W750-W755 AromaticContact CE2-CE2 3.77Å; W750-W755 AromaticContact CE2-CZ2 3.73Å; W750-W755 AromaticContact CE3-CD1 3.61Å; W750-W755 HydrophobicContact CE3-CD2 4.14Å; W750-W755 AromaticContact CE3-CE2 3.92Å; W750-W755 AromaticContact CE3-CG 3.9Å; W750-W755 HydrophobicContact CE3-CG 3.9Å; W750-W755 AromaticContact CE3-NE1 3.63Å; W750-W755 HydrophobicContact CH2-CB 3.91Å; W750-W755 AromaticContact CH2-CD2 3.41Å; W750-W755 HydrophobicContact CH2-CD2 3.41Å; W750-W755 VanDerWaalsContact CH2-CD2 3.41Å; W750-W755 AromaticContact CH2-CE2 3.86Å; W750-W755 AromaticContact CH2-CE3 3.71Å; W750-W755 HydrophobicContact CH2-CE3 3.71Å; W750-W755 AromaticContact CH2-CG 3.56Å; W750-W755 HydrophobicContact CH2-CG 3.56Å; W750-W755 HydrophobicContact CH2-CZ2 4.44Å; W750-W755 HydrophobicContact CH2-CZ3 4.34Å; W750-W755 AromaticContact CZ2-CD2 3.71Å; W750-W755 HydrophobicContact CZ2-CD2 3.71Å; W750-W755 AromaticContact CZ2-CE2 3.79Å; W750-W755 AromaticContact CZ2-CE3 3.82Å; W750-W755 HydrophobicContact CZ2-CE3 3.82Å; W750-W755 HydrophobicContact CZ2-CG 4.3Å; W750-W755 HydrophobicContact CZ2-CH2 4Å; W750-W755 AromaticContact CZ2-CZ2 3.91Å; W750-W755 HydrophobicContact CZ2-CZ2 3.91Å; W750-W755 AromaticContact CZ2-CZ3 3.98Å; W750-W755 HydrophobicContact CZ2-CZ3 3.98Å; W750-W755 HydrophobicContact CZ3-CB 3.71Å; W750-W755 AromaticContact CZ3-CD1 3.54Å; W750-W755 AromaticContact CZ3-CD2 3.67Å; W750-W755 HydrophobicContact CZ3-CD2 3.67Å; W750-W755 AromaticContact CZ3-CE2 3.94Å; W750-W755 HydrophobicContact CZ3-CE3 4.41Å; W750-W755 AromaticContact CZ3-CG 3.34Å; W750-W755 HydrophobicContact CZ3-CG 3.34Å; W750-W755 AromaticContact CZ3-NE1 3.89Å; W750-W755 AromaticContact NE1-CZ2 3.94Å; W755-N757 WeakPolarHBondContact CB-OD1 3.41Å; W755-N759 WeakPolarHBondContact O-CB 3.27Å; W755-N759 PolarHBondContact O-N 3.39Å; W755-N759 PolarHBondContact O-ND2 3.32Å; W755-E807 HydrophobicContact CE3-CG 4.41Å; W755-E807 VanDerWaalsContact CE3-O 3.24Å; W755-E807 HydrophobicContact CH2-CG 3.73Å; W755-E807 HydrophobicContact CZ3-CG 3.36Å; W755-E807 WeakPolarHBondContact CZ3-O 3.47Å; W755-Q808 HydrophobicContact CD2-CB 3.8Å; W755-Q808 HydrophobicContact CE3-CB 3.97Å; W755-Q808 HydrophobicContact CG-CB 4.38Å; W755-Q808 HydrophobicContact CH2-CB 4.15Å; W755-Q808 HydrophobicContact CH2-CG 4.31Å; W755-Q808 HydrophobicContact CZ2-CB 3.97Å; W755-Q808 HydrophobicContact CZ2-CG 4.17Å; W755-Q808 HydrophobicContact CZ3-CB 4.12Å; W755-W825 AromaticContact CE3-CE2 3.95Å; W755-W825 AromaticContact CE3-CZ2 3.46Å; W755-W825 HydrophobicContact CE3-CZ2 3.46Å; W755-W825 VanDerWaalsContact CE3-CZ2 3.46Å; W755-W825 AromaticContact CE3-NE1 3.86Å; W755-W825 HydrophobicContact CZ3-CH2 4.42Å; W755-W825 AromaticContact CZ3-CZ2 3.47Å; W755-W825 HydrophobicContact CZ3-CZ2 3.47Å; W755-W825 VanDerWaalsContact CZ3-CZ2 3.47Å
756	L	98.9	Very high	98.4	Very high	7 Å²	7	15 Å²	15	4%	0.037	9%	0.086	C	C	.	.	H	α-helix	trans	-73.6	-36.1	-168.8	-151.3	76.7	0	0	0	113.9	V758 N759 Y760 V791 V795 T826 L828 V829	L756-V758 PolarHBondContact O-N 3.2Å; L756-N759 PolarHBondContact O-N 3.49Å; L756-Y760 VanDerWaalsContact O-CB 3.31Å; L756-Y760 WeakPolarHBondContact O-CB 3.35Å; L756-Y760 PolarHBondContact O-N 3Å; L756-V791 HydrophobicContact CD1-CG1 3.33Å; L756-V795 HydrophobicContact CD1-CG2 4.03Å; L756-T826 VanDerWaalsContact CD2-C 3.47Å; L756-T826 VanDerWaalsContact CD2-CA 3.45Å; L756-T826 HydrophobicContact CD2-CG2 4.01Å; L756-T826 WeakPolarHBondContact CD2-O 3.41Å; L756-L828 HydrophobicContact CD2-CB 4.13Å; L756-V829 HydrophobicContact CD2-CB 3.83Å; L756-V829 VanDerWaalsContact CD2-N 3.26Å
757	N	98.8	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-54.2	-51.7	176.8	53.7	-8.5	0	0	0	112.8	W450 F454 W755 Y760 L761 W825	W450-N757 VanDerWaalsContact CH2-ND2 3.26Å; W450-N757 WeakPolarHBondContact CH2-ND2 3.35Å; W450-N757 WeakPolarHBondContact CZ3-ND2 3.3Å; F454-N757 HydrophobicContact CD1-CB 4.2Å; F454-N757 HydrophobicContact CD2-CB 3.98Å; F454-N757 HydrophobicContact CE1-CB 4.04Å; F454-N757 HydrophobicContact CE2-CB 3.81Å; F454-N757 HydrophobicContact CG-CB 4.17Å; F454-N757 HydrophobicContact CZ-CB 3.85Å; W755-N757 WeakPolarHBondContact CB-OD1 3.41Å; N757-Y760 PolarHBondContact O-N 2.8Å; N757-L761 PolarHBondContact O-N 2.95Å; N757-L761 VanDerWaalsContact O-N 3.17Å; N757-W825 HydrophobicContact CB-CB 3.88Å; N757-W825 HydrophobicContact CB-CD2 3.74Å; N757-W825 HydrophobicContact CB-CE3 4.09Å; N757-W825 HydrophobicContact CB-CG 3.64Å; N757-W825 WeakPolarHBondContact ND2-CZ3 3.42Å
758	V	98.9	Very high	98.7	Very high	6 Å²	6	13.8 Å²	13.8	4%	0.036	7%	0.07	C	C	.	.	H	α-helix	trans	-72.5	-36.3	-179.8	-179.7	0	0	0	0	111.5	Y691 L698 W750 L756 Y760 L761 A762	Y691-V758 HydrophobicContact CD1-CB 4.37Å; Y691-V758 HydrophobicContact CD1-CG1 3.62Å; Y691-V758 HydrophobicContact CD2-CB 3.84Å; Y691-V758 HydrophobicContact CD2-CG1 3.82Å; Y691-V758 HydrophobicContact CD2-CG2 3.7Å; Y691-V758 HydrophobicContact CE1-CB 4.34Å; Y691-V758 HydrophobicContact CE1-CG1 3.92Å; Y691-V758 HydrophobicContact CE2-CB 3.81Å; Y691-V758 HydrophobicContact CE2-CG1 4.12Å; Y691-V758 HydrophobicContact CE2-CG2 3.98Å; Y691-V758 HydrophobicContact CG-CB 4.14Å; Y691-V758 HydrophobicContact CG-CG1 3.57Å; Y691-V758 HydrophobicContact CG-CG2 4.25Å; L698-V758 HydrophobicContact CD1-CG1 3.7Å; L698-V758 HydrophobicContact CD2-CG1 4.19Å; W750-V758 HydrophobicContact CZ3-CG2 4.32Å; L756-V758 PolarHBondContact O-N 3.2Å; V758-Y760 VanDerWaalsContact C-N 3.3Å; V758-Y760 PolarHBondContact O-N 3.02Å; V758-L761 PolarHBondContact O-N 3.06Å; V758-A762 PolarHBondContact O-N 3.18Å
759	N	98.9	Very high	98.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-36.6	174.4	-84.7	-96.5	0	0	0	111.9	Y691 L728 W755 L756 A762 L763 V791	Y691-N759 PolarHBondContact OH-ND2 3.36Å; L728-N759 WeakPolarHBondContact CB-OD1 3.44Å; L728-N759 PolarHBondContact N-OD1 3.02Å; L728-N759 PolarHBondContact O-ND2 2.82Å; W755-N759 WeakPolarHBondContact O-CB 3.27Å; W755-N759 PolarHBondContact O-N 3.39Å; W755-N759 PolarHBondContact O-ND2 3.32Å; L756-N759 PolarHBondContact O-N 3.49Å; N759-A762 PolarHBondContact O-N 3.41Å; N759-L763 VanDerWaalsContact O-CG 3.32Å; N759-L763 WeakPolarHBondContact O-CG 3.12Å; N759-L763 PolarHBondContact O-N 2.89Å; N759-V791 HydrophobicContact CB-CG2 4.27Å
760	Y	98.9	Very high	98.8	Very high	6 Å²	6	9.4 Å²	9.4	2%	0.024	5%	0.049	C	C	.	.	H	α-helix	trans	-65.3	-43.8	174.7	175.2	-99.4	0	0	0	111.9	L457 L756 N757 V758 A762 L763 G764 L828 L831 D836 Y837	L457-Y760 HydrophobicContact CD1-CE1 3.93Å; L756-Y760 VanDerWaalsContact O-CB 3.31Å; L756-Y760 WeakPolarHBondContact O-CB 3.35Å; L756-Y760 PolarHBondContact O-N 3Å; N757-Y760 PolarHBondContact O-N 2.8Å; V758-Y760 VanDerWaalsContact C-N 3.3Å; V758-Y760 PolarHBondContact O-N 3.02Å; Y760-A762 VanDerWaalsContact C-N 3.3Å; Y760-A762 PolarHBondContact O-N 2.81Å; Y760-L763 PolarHBondContact O-N 2.92Å; Y760-G764 PolarHBondContact O-N 3Å; Y760-L828 HydrophobicContact CD1-CD1 3.91Å; Y760-L828 HydrophobicContact CD1-CD2 3.93Å; Y760-L828 HydrophobicContact CD1-CG 4.4Å; Y760-L828 HydrophobicContact CD2-CB 4.12Å; Y760-L828 HydrophobicContact CD2-CD2 4.37Å; Y760-L828 HydrophobicContact CE1-CD2 3.97Å; Y760-L828 HydrophobicContact CE2-CD2 4.42Å; Y760-L828 HydrophobicContact CG-CB 4.04Å; Y760-L828 HydrophobicContact CG-CD1 3.91Å; Y760-L828 HydrophobicContact CG-CD2 4.12Å; Y760-L828 HydrophobicContact CG-CG 4.27Å; Y760-L831 HydrophobicContact CD2-CB 4.42Å; Y760-L831 HydrophobicContact CE2-CB 3.55Å; Y760-L831 HydrophobicContact CE2-CD1 4.27Å; Y760-L831 WeakPolarHBondContact OH-CD1 3.38Å; Y760-D836 PolarHBondContact OH-O 3.11Å; Y760-Y837 HydrophobicContact CD2-CD1 4.42Å; Y760-Y837 AromaticContact CE2-CD1 3.89Å; Y760-Y837 HydrophobicContact CE2-CD1 3.89Å; Y760-Y837 HydrophobicContact CE2-CE1 4.28Å
761	L	98.9	Very high	98.8	Very high	18 Å²	18	15.4 Å²	15.4	9%	0.094	8%	0.077	C	C	.	.	H	α-helix	trans	-60.1	-40.7	172.3	-66	176.9	0	0	0	111.8	F454 L517 W603 L698 L699 N757 V758 G764 A765	F454-L761 HydrophobicContact CE1-CD1 4.15Å; F454-L761 HydrophobicContact CE1-CD2 4.19Å; F454-L761 HydrophobicContact CE1-CG 4.07Å; F454-L761 HydrophobicContact CZ-CD1 4.07Å; F454-L761 HydrophobicContact CZ-CG 4.49Å; L517-L761 HydrophobicContact CD1-CD2 4.45Å; W603-L761 HydrophobicContact CH2-CD1 4.33Å; L698-L761 HydrophobicContact CB-CB 4.28Å; L698-L761 HydrophobicContact CD2-CB 4.28Å; L699-L761 HydrophobicContact CD2-CD1 4.17Å; N757-L761 PolarHBondContact O-N 2.95Å; N757-L761 VanDerWaalsContact O-N 3.17Å; V758-L761 PolarHBondContact O-N 3.06Å; L761-G764 PolarHBondContact O-N 2.76Å; L761-A765 WeakPolarHBondContact O-CB 3.4Å; L761-A765 PolarHBondContact O-N 2.76Å
762	A	98.9	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.2	-43.4	176.3	0	0	0	0	0	112.2	L698 L728 V758 N759 Y760 A765 L766 L787	L698-A762 HydrophobicContact CD2-CB 3.61Å; L728-A762 HydrophobicContact CD1-CB 3.61Å; V758-A762 PolarHBondContact O-N 3.18Å; N759-A762 PolarHBondContact O-N 3.41Å; Y760-A762 VanDerWaalsContact C-N 3.3Å; Y760-A762 PolarHBondContact O-N 2.81Å; A762-A765 PolarHBondContact O-N 2.81Å; A762-L766 WeakPolarHBondContact O-CB 3.18Å; A762-L766 VanDerWaalsContact O-CG 3.24Å; A762-L766 WeakPolarHBondContact O-CG 3.48Å; A762-L766 PolarHBondContact O-N 2.8Å; A762-L787 HydrophobicContact CB-CD2 4.2Å
763	L	98.9	Very high	98.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-47.2	173.6	-73.1	171	0	0	0	110.8	N759 Y760 A765 L766 H767 H784 L787 R788 A832 Y837	N759-L763 VanDerWaalsContact O-CG 3.32Å; N759-L763 WeakPolarHBondContact O-CG 3.12Å; N759-L763 PolarHBondContact O-N 2.89Å; Y760-L763 PolarHBondContact O-N 2.92Å; L763-A765 VanDerWaalsContact C-N 3.32Å; L763-A765 PolarHBondContact O-N 2.7Å; L763-L766 PolarHBondContact O-N 3.36Å; L763-H767 VanDerWaalsContact O-CB 3.3Å; L763-H767 WeakPolarHBondContact O-CB 3.42Å; L763-H767 PolarHBondContact O-N 2.91Å; L763-H784 PolarHBondContact O-CD2 3.48Å; L763-H784 VanDerWaalsContact O-CD2 3.3Å; L763-L787 HydrophobicContact CD2-CB 3.91Å; L763-L787 HydrophobicContact CD2-CD2 3.94Å; L763-L787 HydrophobicContact CD2-CG 3.83Å; L763-L787 HydrophobicContact CG-CD2 4.17Å; L763-L787 HydrophobicContact CG-CG 4.34Å; L763-R788 HydrophobicContact CD2-CB 3.79Å; L763-A832 HydrophobicContact CD1-CB 3.93Å; L763-Y837 HydrophobicContact CB-CD1 4.33Å; L763-Y837 HydrophobicContact CB-CE1 3.59Å
764	G	98.8	Very high	98.6	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-36.6	177.2	0	0	0	0	0	113.6	R700 Y760 L761 H768 Y837	R700-G764 PolarHBondContact NE-O 2.86Å; R700-G764 PolarHBondContact NH2-O 2.64Å; Y760-G764 PolarHBondContact O-N 3Å; L761-G764 PolarHBondContact O-N 2.76Å; G764-H768 WeakPolarHBondContact O-CB 3.27Å; G764-H768 PolarHBondContact O-N 3.16Å; G764-H768 VanDerWaalsContact O-N 3.09Å; G764-Y837 VanDerWaalsContact CA-CD1 3.44Å
765	A	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.9	-48.3	174.3	0	0	0	0	0	111.8	L697 R700 L761 A762 L763 H767 H768 Y769	L697-A765 HydrophobicContact CD1-CB 4.28Å; L697-A765 HydrophobicContact CG-CB 4.28Å; L697-A765 WeakPolarHBondContact O-CB 3.22Å; R700-A765 HydrophobicContact CG-CB 4.41Å; L761-A765 WeakPolarHBondContact O-CB 3.4Å; L761-A765 PolarHBondContact O-N 2.76Å; A762-A765 PolarHBondContact O-N 2.81Å; L763-A765 VanDerWaalsContact C-N 3.32Å; L763-A765 PolarHBondContact O-N 2.7Å; A765-H767 VanDerWaalsContact C-N 3.3Å; A765-H767 PolarHBondContact O-N 2.93Å; A765-H768 WeakPolarHBondContact O-CB 3.48Å; A765-H768 PolarHBondContact O-N 3.42Å; A765-H768 VanDerWaalsContact O-N 3.15Å; A765-Y769 HydrophobicContact CB-CD2 4.5Å; A765-Y769 HydrophobicContact CB-CE2 4.41Å; A765-Y769 WeakPolarHBondContact O-CD2 3.39Å; A765-Y769 PolarHBondContact O-N 2.91Å
766	L	98.9	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-37.7	179.1	-68.1	169.4	0	0	0	111.8	L713 L716 A762 L763 G770 A780 L783 H784 L787	L713-L766 HydrophobicContact CD2-CD2 3.57Å; L716-L766 HydrophobicContact CD2-CD1 4.35Å; A762-L766 WeakPolarHBondContact O-CB 3.18Å; A762-L766 VanDerWaalsContact O-CG 3.24Å; A762-L766 WeakPolarHBondContact O-CG 3.48Å; A762-L766 PolarHBondContact O-N 2.8Å; L763-L766 PolarHBondContact O-N 3.36Å; L766-G770 WeakPolarHBondContact O-CA 3.34Å; L766-G770 PolarHBondContact O-N 3.32Å; L766-A780 HydrophobicContact CD2-CB 4.4Å; L766-L783 HydrophobicContact CD1-CB 4.08Å; L766-L783 HydrophobicContact CD2-CB 4.06Å; L766-L783 HydrophobicContact CD2-CD1 4.44Å; L766-H784 HydrophobicContact CB-CB 3.76Å; L766-L787 HydrophobicContact CD1-CD2 3.97Å
767	H	98.8	Very high	98.6	Very high	58 Å²	58	36.5 Å²	36.5	27%	0.269	19%	0.19	S	C	.	.	H	α-helix	trans	-60.6	-49.4	171.7	-174.7	-92.1	0	0	0	110.9	L763 A765 G770 H771 H784 Y837	L763-H767 VanDerWaalsContact O-CB 3.3Å; L763-H767 WeakPolarHBondContact O-CB 3.42Å; L763-H767 PolarHBondContact O-N 2.91Å; A765-H767 VanDerWaalsContact C-N 3.3Å; A765-H767 PolarHBondContact O-N 2.93Å; H767-G770 PolarHBondContact O-N 2.84Å; H767-H771 AromaticContact CD2-CE1 3.53Å; H767-H771 AromaticContact CD2-ND1 3.84Å; H767-H771 AromaticContact CE1-CE1 3.58Å; H767-H771 AromaticContact CE1-ND1 3.64Å; H767-H771 AromaticContact CG-ND1 3.96Å; H767-H771 AromaticContact ND1-ND1 3.83Å; H767-H771 AromaticContact NE2-CE1 3.16Å; H767-H771 PolarHBondContact NE2-CE1 3.22Å; H767-H771 AromaticContact NE2-ND1 3.64Å; H767-H771 AromaticContact NE2-NE2 3.98Å; H767-H771 PolarHBondContact O-N 2.98Å; H767-H771 PolarHBondContact O-ND1 3.1Å; H767-H784 AromaticContact CD2-CE1 3.89Å; H767-H784 AromaticContact CD2-NE2 3.89Å; H767-Y837 HydrophobicContact CB-CD2 3.74Å; H767-Y837 HydrophobicContact CB-CE2 3.79Å; H767-Y837 HydrophobicContact CB-CG 4.47Å; H767-Y837 AromaticContact CD2-CE2 3.69Å; H767-Y837 AromaticContact CG-CD2 3.58Å; H767-Y837 AromaticContact CG-CE2 3.65Å; H767-Y837 AromaticContact ND1-CD2 3.83Å
768	H	98.6	Very high	98.5	Very high	63 Å²	63	40.5 Å²	40.5	29%	0.292	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-55.9	178.2	174.9	80.8	0	0	0	112.4	R700 G764 A765 G770 H771 L772	R700-H768 HydrophobicContact CG-CB 4.44Å; G764-H768 WeakPolarHBondContact O-CB 3.27Å; G764-H768 PolarHBondContact O-N 3.16Å; G764-H768 VanDerWaalsContact O-N 3.09Å; A765-H768 WeakPolarHBondContact O-CB 3.48Å; A765-H768 PolarHBondContact O-N 3.42Å; A765-H768 VanDerWaalsContact O-N 3.15Å; H768-G770 PolarHBondContact O-N 3.08Å; H768-H771 PolarHBondContact O-N 2.92Å; H768-H771 VanDerWaalsContact O-N 3.09Å; H768-L772 VanDerWaalsContact CE1-CD1 3.5Å; H768-L772 WeakPolarHBondContact CE1-CD1 3.19Å; H768-L772 WeakPolarHBondContact NE2-CD1 3.39Å; H768-L772 WeakPolarHBondContact O-CG 3.41Å; H768-L772 PolarHBondContact O-N 2.85Å
769	Y	98.8	Very high	98.5	Very high	6 Å²	6	44.1 Å²	44.1	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-69.5	-20.9	179.6	-65.8	-71.8	0	0	0	113.3	L697 R700 L702 P704 L709 A765 H771 Q777	L697-Y769 HydrophobicContact CD1-CD2 3.71Å; L697-Y769 HydrophobicContact CD1-CE2 3.55Å; R700-Y769 WeakPolarHBondContact CA-OH 3.37Å; L702-Y769 PolarHBondContact N-OH 3.18Å; L702-Y769 WeakPolarHBondContact O-CE1 3.17Å; L702-Y769 PolarHBondContact O-OH 3.1Å; P704-Y769 HydrophobicContact CG-CD1 4.44Å; L709-Y769 HydrophobicContact CD1-CD2 4.49Å; L709-Y769 HydrophobicContact CD2-CD1 3.84Å; L709-Y769 HydrophobicContact CD2-CE1 4.13Å; L709-Y769 HydrophobicContact CD2-CG 4.26Å; A765-Y769 HydrophobicContact CB-CD2 4.5Å; A765-Y769 HydrophobicContact CB-CE2 4.41Å; A765-Y769 WeakPolarHBondContact O-CD2 3.39Å; A765-Y769 PolarHBondContact O-N 2.91Å; Y769-H771 VanDerWaalsContact C-N 3.27Å; Y769-Q777 WeakPolarHBondContact O-CA 3.46Å
770	G	98.6	Very high	98.5	Very high	8 Å²	8	44.1 Å²	44.1	8%	0.082	24%	0.235	C	C	.	.	H	α-helix	trans	-72.6	-18.3	172	0	0	0	0	0	114	L766 H767 H768 Q777	L766-G770 WeakPolarHBondContact O-CA 3.34Å; L766-G770 PolarHBondContact O-N 3.32Å; H767-G770 PolarHBondContact O-N 2.84Å; H768-G770 PolarHBondContact O-N 3.08Å; G770-Q777 WeakPolarHBondContact O-CG 3.36Å; G770-Q777 PolarHBondContact O-NE2 2.9Å
771	H	98.2	Very high	98.5	Very high	128 Å²	128	45.7 Å²	45.7	59%	0.593	25%	0.25	S	C	*	.	H	α-helix	trans	-108.5	-5.9	-179.7	-72.3	86.5	0	0	0	114	H767 H768 Y769	H767-H771 AromaticContact CD2-CE1 3.53Å; H767-H771 AromaticContact CD2-ND1 3.84Å; H767-H771 AromaticContact CE1-CE1 3.58Å; H767-H771 AromaticContact CE1-ND1 3.64Å; H767-H771 AromaticContact CG-ND1 3.96Å; H767-H771 AromaticContact ND1-ND1 3.83Å; H767-H771 AromaticContact NE2-CE1 3.16Å; H767-H771 PolarHBondContact NE2-CE1 3.22Å; H767-H771 AromaticContact NE2-ND1 3.64Å; H767-H771 AromaticContact NE2-NE2 3.98Å; H767-H771 PolarHBondContact O-N 2.98Å; H767-H771 PolarHBondContact O-ND1 3.1Å; H768-H771 PolarHBondContact O-N 2.92Å; H768-H771 VanDerWaalsContact O-N 3.09Å; Y769-H771 VanDerWaalsContact C-N 3.27Å
772	L	97.7	Very high	98.5	Very high	64 Å²	64	50.9 Å²	50.9	34%	0.335	27%	0.271	S	S	.	.	S	Bend	trans	-95.2	144.5	173.5	-66.7	-177.6	0	0	0	111.2	P704 H768 G774 Q777	P704-L772 HydrophobicContact CG-CB 4.15Å; P704-L772 HydrophobicContact CG-CD1 3.73Å; H768-L772 VanDerWaalsContact CE1-CD1 3.5Å; H768-L772 WeakPolarHBondContact CE1-CD1 3.19Å; H768-L772 WeakPolarHBondContact NE2-CD1 3.39Å; H768-L772 WeakPolarHBondContact O-CG 3.41Å; H768-L772 PolarHBondContact O-N 2.85Å; L772-G774 PolarHBondContact O-N 2.68Å; L772-Q777 WeakPolarHBondContact O-CB 3.26Å; L772-Q777 WeakPolarHBondContact O-CG 3.4Å
773	E	97.7	Very high	98.5	Very high	173 Å²	173	51.4 Å²	51.4	81%	0.808	27%	0.274	S	S	*	.			trans	-63.6	132.7	170.7	-66	-169.4	162.1	0	0	110.4
774	G	97.3	Very high	98.5	Very high	26 Å²	26	51.9 Å²	51.9	27%	0.268	28%	0.276	S	S	.	.	S	Bend	trans	167.4	167	178.1	0	0	0	0	0	112.7	L772 H776 Q777	L772-G774 PolarHBondContact O-N 2.68Å; G774-H776 PolarHBondContact O-N 2.99Å; G774-Q777 PolarHBondContact O-N 2.88Å
775	P	98.3	Very high	98.5	Very high	88 Å²	88	55.3 Å²	55.3	57%	0.571	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.1	-175.1	26.5	-36.3	0	0	0	114.1	N705	N705-P775 WeakPolarHBondContact OD1-CD 3.3Å
776	H	98.4	Very high	98.5	Very high	45 Å²	45	59 Å²	59	21%	0.208	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	3.9	-175.8	-57.8	-45.3	0	0	0	114.2	L709 G710 L713 G774 A778 R779 A780	L709-H776 HydrophobicContact CD2-CB 4.23Å; L709-H776 HydrophobicContact CG-CB 4.46Å; G710-H776 WeakPolarHBondContact CA-NE2 3.47Å; G710-H776 PolarHBondContact N-NE2 2.86Å; L713-H776 HydrophobicContact CD1-CB 3.81Å; G774-H776 PolarHBondContact O-N 2.99Å; H776-A778 PolarHBondContact O-N 2.67Å; H776-R779 WeakPolarHBondContact O-CB 3.39Å; H776-R779 PolarHBondContact O-N 2.9Å; H776-A780 PolarHBondContact O-N 2.84Å
777	Q	98.5	Very high	98.5	Very high	75 Å²	75	59 Å²	59	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-53.4	-59.6	-174.6	-176	-176	10.2	0	0	113.1	Y769 G770 L772 G774 R779 A780 A781	Y769-Q777 WeakPolarHBondContact O-CA 3.46Å; G770-Q777 WeakPolarHBondContact O-CG 3.36Å; G770-Q777 PolarHBondContact O-NE2 2.9Å; L772-Q777 WeakPolarHBondContact O-CB 3.26Å; L772-Q777 WeakPolarHBondContact O-CG 3.4Å; G774-Q777 PolarHBondContact O-N 2.88Å; Q777-R779 PolarHBondContact O-N 2.81Å; Q777-A780 PolarHBondContact O-N 2.84Å; Q777-A780 VanDerWaalsContact O-N 3.13Å; Q777-A781 PolarHBondContact O-N 3.35Å
778	A	98.5	Very high	98.5	Very high	83 Å²	83	58.4 Å²	58.4	69%	0.686	31%	0.313	S	S	*	.	H	α-helix	trans	-59.6	-33.6	-177.8	0	0	0	0	0	112.6	H776 K782	H776-A778 PolarHBondContact O-N 2.67Å; A778-K782 PolarHBondContact O-N 3.2Å; A778-K782 VanDerWaalsContact O-N 3.12Å
779	R	98.5	Very high	98.5	Very high	83 Å²	83	58.3 Å²	58.3	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-70.4	-45.5	177.5	-176.9	-174.5	178.7	160.9	11.5	111.5	L713 D714 H776 Q777 K782 L783	L713-R779 PolarHBondContact O-NH2 3.48Å; D714-R779 IonicContact OD1-CZ 3.52Å; D714-R779 IonicContact OD1-NH1 2.65Å; D714-R779 PolarHBondContact OD1-NH1 3.06Å; D714-R779 IonicContact OD1-NH2 2.56Å; D714-R779 PolarHBondContact OD1-NH2 2.87Å; D714-R779 IonicContact OD2-NH1 3Å; H776-R779 WeakPolarHBondContact O-CB 3.39Å; H776-R779 PolarHBondContact O-N 2.9Å; Q777-R779 PolarHBondContact O-N 2.81Å; R779-K782 PolarHBondContact O-N 3.14Å; R779-L783 HydrophobicContact CG-CD1 4.14Å; R779-L783 WeakPolarHBondContact O-CG 3.38Å; R779-L783 PolarHBondContact O-N 2.86Å
780	A	98.8	Very high	98.5	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-44	177.7	0	0	0	0	0	111.2	L766 H776 Q777 K782 L783 H784	L766-A780 HydrophobicContact CD2-CB 4.4Å; H776-A780 PolarHBondContact O-N 2.84Å; Q777-A780 PolarHBondContact O-N 2.84Å; Q777-A780 VanDerWaalsContact O-N 3.13Å; A780-K782 PolarHBondContact O-N 2.71Å; A780-L783 PolarHBondContact O-N 2.96Å; A780-H784 WeakPolarHBondContact O-CB 3.47Å; A780-H784 PolarHBondContact O-N 2.94Å
781	A	98.8	Very high	98.5	Very high	39 Å²	39	59.8 Å²	59.8	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-42.4	175.5	0	0	0	0	0	112.7	Q777 H784 S785	Q777-A781 PolarHBondContact O-N 3.35Å; A781-H784 PolarHBondContact O-N 2.86Å; A781-S785 PolarHBondContact O-N 3.01Å; A781-S785 PolarHBondContact O-OG 2.81Å
782	K	98.8	Very high	98.5	Very high	127 Å²	127	54 Å²	54	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-62	-49.6	175.2	-179.4	-177.5	171.2	-176.1	0	111.9	A778 R779 A780 H784 S785 E786	A778-K782 PolarHBondContact O-N 3.2Å; A778-K782 VanDerWaalsContact O-N 3.12Å; R779-K782 PolarHBondContact O-N 3.14Å; A780-K782 PolarHBondContact O-N 2.71Å; K782-H784 VanDerWaalsContact C-N 3.29Å; K782-H784 PolarHBondContact O-N 2.91Å; K782-S785 PolarHBondContact O-N 2.74Å; K782-E786 WeakPolarHBondContact CE-OE1 3.43Å; K782-E786 IonicContact NZ-OE1 3.97Å; K782-E786 WeakPolarHBondContact O-CG 3.24Å; K782-E786 PolarHBondContact O-N 3.35Å; K782-E786 VanDerWaalsContact O-N 3.12Å
783	L	98.9	Very high	98.6	Very high	11 Å²	11	51.8 Å²	51.8	6%	0.058	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-34.6	-178.7	-70.6	171.6	0	0	0	112.1	L713 L716 A717 W723 L766 R779 A780 L787	L713-L783 HydrophobicContact CB-CD1 4.28Å; L713-L783 HydrophobicContact CD2-CD1 4.19Å; L716-L783 HydrophobicContact CD2-CD1 4.4Å; A717-L783 HydrophobicContact CB-CD1 4.19Å; A717-L783 HydrophobicContact CB-CD2 3.58Å; W723-L783 HydrophobicContact CH2-CD2 4.05Å; W723-L783 HydrophobicContact CZ3-CD2 3.99Å; L766-L783 HydrophobicContact CD1-CB 4.08Å; L766-L783 HydrophobicContact CD2-CB 4.06Å; L766-L783 HydrophobicContact CD2-CD1 4.44Å; R779-L783 HydrophobicContact CG-CD1 4.14Å; R779-L783 WeakPolarHBondContact O-CG 3.38Å; R779-L783 PolarHBondContact O-N 2.86Å; A780-L783 PolarHBondContact O-N 2.96Å; L783-L787 WeakPolarHBondContact O-CB 3.25Å; L783-L787 PolarHBondContact O-N 3.37Å
784	H	98.9	Very high	98.6	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.046	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-56.1	172.9	171.1	-96.9	0	0	0	111.4	L763 L766 H767 A780 A781 K782 E786 L787 R788 E835 Y837	L763-H784 PolarHBondContact O-CD2 3.48Å; L763-H784 VanDerWaalsContact O-CD2 3.3Å; L766-H784 HydrophobicContact CB-CB 3.76Å; H767-H784 AromaticContact CD2-CE1 3.89Å; H767-H784 AromaticContact CD2-NE2 3.89Å; A780-H784 WeakPolarHBondContact O-CB 3.47Å; A780-H784 PolarHBondContact O-N 2.94Å; A781-H784 PolarHBondContact O-N 2.86Å; K782-H784 VanDerWaalsContact C-N 3.29Å; K782-H784 PolarHBondContact O-N 2.91Å; H784-E786 VanDerWaalsContact C-N 3.35Å; H784-E786 PolarHBondContact O-N 3.01Å; H784-L787 PolarHBondContact O-N 3.39Å; H784-R788 VanDerWaalsContact O-CB 3.3Å; H784-R788 WeakPolarHBondContact O-CB 3.39Å; H784-R788 PolarHBondContact O-N 2.89Å; H784-E835 IonicContact CE1-OE1 3.8Å; H784-E835 PolarHBondContact CE1-OE1 3.35Å; H784-E835 VanDerWaalsContact CE1-OE1 3.29Å; H784-Y837 AromaticContact NE2-CE2 3.58Å; H784-Y837 AromaticContact NE2-CZ 3.39Å; H784-Y837 PolarHBondContact NE2-OH 3.39Å
785	S	98.7	Very high	98.7	Very high	75 Å²	75	42.5 Å²	42.5	52%	0.524	25%	0.245	S	C	.	.	H	α-helix	trans	-57.8	-45.4	-179.6	-65.1	0	0	0	0	112.5	A781 K782 A789	A781-S785 PolarHBondContact O-N 3.01Å; A781-S785 PolarHBondContact O-OG 2.81Å; K782-S785 PolarHBondContact O-N 2.74Å; S785-A789 WeakPolarHBondContact O-CB 3.27Å; S785-A789 PolarHBondContact O-N 2.92Å; S785-A789 VanDerWaalsContact O-N 3.13Å
786	E	98.8	Very high	98.7	Very high	77 Å²	77	41.3 Å²	41.3	36%	0.36	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-43.3	-179.9	-66.9	176.5	167.4	0	0	112	W723 K782 H784 A789 N790	W723-E786 HydrophobicContact CH2-CB 3.99Å; W723-E786 HydrophobicContact CZ2-CB 3.74Å; K782-E786 WeakPolarHBondContact CE-OE1 3.43Å; K782-E786 IonicContact NZ-OE1 3.97Å; K782-E786 WeakPolarHBondContact O-CG 3.24Å; K782-E786 PolarHBondContact O-N 3.35Å; K782-E786 VanDerWaalsContact O-N 3.12Å; H784-E786 VanDerWaalsContact C-N 3.35Å; H784-E786 PolarHBondContact O-N 3.01Å; E786-A789 PolarHBondContact O-N 2.9Å; E786-N790 VanDerWaalsContact O-CG 3.25Å; E786-N790 PolarHBondContact O-N 2.83Å; E786-N790 VanDerWaalsContact O-N 3.08Å; E786-N790 PolarHBondContact O-ND2 2.9Å
787	L	98.9	Very high	98.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-42.7	179	-178.6	59	0	0	0	111.1	W723 L728 A762 L763 L766 L783 H784 A789 N790 V791	W723-L787 HydrophobicContact CH2-CB 3.7Å; W723-L787 HydrophobicContact CH2-CD1 4.45Å; W723-L787 HydrophobicContact CZ3-CB 4.01Å; W723-L787 HydrophobicContact CZ3-CD1 4.28Å; L728-L787 HydrophobicContact CD1-CD2 3.86Å; L728-L787 HydrophobicContact CD2-CD1 3.99Å; L728-L787 HydrophobicContact CD2-CD2 4.34Å; L728-L787 HydrophobicContact CG-CD1 3.8Å; L728-L787 HydrophobicContact CG-CD2 3.87Å; A762-L787 HydrophobicContact CB-CD2 4.2Å; L763-L787 HydrophobicContact CD2-CB 3.91Å; L763-L787 HydrophobicContact CD2-CD2 3.94Å; L763-L787 HydrophobicContact CD2-CG 3.83Å; L763-L787 HydrophobicContact CG-CD2 4.17Å; L763-L787 HydrophobicContact CG-CG 4.34Å; L766-L787 HydrophobicContact CD1-CD2 3.97Å; L783-L787 WeakPolarHBondContact O-CB 3.25Å; L783-L787 PolarHBondContact O-N 3.37Å; H784-L787 PolarHBondContact O-N 3.39Å; L787-A789 PolarHBondContact O-N 3.37Å; L787-N790 PolarHBondContact O-N 2.81Å; L787-V791 HydrophobicContact CD1-CG2 3.9Å; L787-V791 HydrophobicContact CG-CG2 4.27Å; L787-V791 WeakPolarHBondContact O-CB 3.18Å; L787-V791 WeakPolarHBondContact O-CG2 3.49Å; L787-V791 PolarHBondContact O-N 2.86Å
788	R	98.9	Very high	98.8	Very high	46 Å²	46	42.3 Å²	42.3	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-48.3	178.5	-178.1	175.9	170	-91.4	3.9	110.5	L763 H784 N790 V791 V792 A832 M833 E835	L763-R788 HydrophobicContact CD2-CB 3.79Å; H784-R788 VanDerWaalsContact O-CB 3.3Å; H784-R788 WeakPolarHBondContact O-CB 3.39Å; H784-R788 PolarHBondContact O-N 2.89Å; R788-N790 VanDerWaalsContact C-N 3.34Å; R788-N790 PolarHBondContact O-N 2.83Å; R788-V791 PolarHBondContact O-N 3.14Å; R788-V792 HydrophobicContact CG-CG2 4.23Å; R788-V792 WeakPolarHBondContact O-CB 3.45Å; R788-V792 WeakPolarHBondContact O-CG2 3.37Å; R788-V792 PolarHBondContact O-N 2.87Å; R788-A832 WeakPolarHBondContact CD-O 3.36Å; R788-A832 PolarHBondContact NE-O 2.98Å; R788-M833 PolarHBondContact NH2-O 3.08Å; R788-E835 WeakPolarHBondContact CD-OE1 3.11Å; R788-E835 IonicContact CZ-OE1 3.34Å; R788-E835 VanDerWaalsContact NE-CG 3.32Å; R788-E835 IonicContact NE-OE1 2.84Å; R788-E835 PolarHBondContact NE-OE1 3.32Å
789	A	98.8	Very high	98.8	Very high	61 Å²	61	41.4 Å²	41.4	50%	0.504	21%	0.209	S	C	.	.	H	α-helix	trans	-59.4	-43.2	177.5	0	0	0	0	0	112.3	S785 E786 L787 G793	S785-A789 WeakPolarHBondContact O-CB 3.27Å; S785-A789 PolarHBondContact O-N 2.92Å; S785-A789 VanDerWaalsContact O-N 3.13Å; E786-A789 PolarHBondContact O-N 2.9Å; L787-A789 PolarHBondContact O-N 3.37Å; A789-G793 WeakPolarHBondContact O-CA 3.32Å; A789-G793 PolarHBondContact O-N 2.84Å
790	N	98.8	Very high	98.7	Very high	42 Å²	42	43.2 Å²	43.2	23%	0.225	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-47.1	179	-71.3	-17.3	0	0	0	112.3	E786 L787 R788 N794	E786-N790 VanDerWaalsContact O-CG 3.25Å; E786-N790 PolarHBondContact O-N 2.83Å; E786-N790 VanDerWaalsContact O-N 3.08Å; E786-N790 PolarHBondContact O-ND2 2.9Å; L787-N790 PolarHBondContact O-N 2.81Å; R788-N790 VanDerWaalsContact C-N 3.34Å; R788-N790 PolarHBondContact O-N 2.83Å; N790-N794 VanDerWaalsContact O-CB 3.29Å; N790-N794 WeakPolarHBondContact O-CB 3.46Å; N790-N794 PolarHBondContact O-N 2.75Å
791	V	98.9	Very high	98.7	Very high	3 Å²	3	47 Å²	47	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-54.5	-177.8	170.3	0	0	0	0	111	L756 N759 L787 R788 G793 N794 V795	L756-V791 HydrophobicContact CD1-CG1 3.33Å; N759-V791 HydrophobicContact CB-CG2 4.27Å; L787-V791 HydrophobicContact CD1-CG2 3.9Å; L787-V791 HydrophobicContact CG-CG2 4.27Å; L787-V791 WeakPolarHBondContact O-CB 3.18Å; L787-V791 WeakPolarHBondContact O-CG2 3.49Å; L787-V791 PolarHBondContact O-N 2.86Å; R788-V791 PolarHBondContact O-N 3.14Å; V791-G793 PolarHBondContact O-N 2.89Å; V791-N794 PolarHBondContact O-N 2.86Å; V791-V795 WeakPolarHBondContact O-CG2 3.34Å; V791-V795 PolarHBondContact O-N 2.89Å
792	V	98.8	Very high	98.6	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-47.4	-179.8	172.6	0	0	0	0	110.1	R788 N794 V795 W796 V829 A832 M833	R788-V792 HydrophobicContact CG-CG2 4.23Å; R788-V792 WeakPolarHBondContact O-CB 3.45Å; R788-V792 WeakPolarHBondContact O-CG2 3.37Å; R788-V792 PolarHBondContact O-N 2.87Å; V792-N794 VanDerWaalsContact C-N 3.31Å; V792-N794 PolarHBondContact O-N 2.87Å; V792-V795 PolarHBondContact O-N 3.44Å; V792-W796 VanDerWaalsContact O-CB 3.3Å; V792-W796 WeakPolarHBondContact O-CB 3.41Å; V792-W796 PolarHBondContact O-N 3.34Å; V792-V829 HydrophobicContact CG2-CG2 4.36Å; V792-A832 HydrophobicContact CG2-CB 4.38Å; V792-M833 HydrophobicContact CB-CG 4.41Å; V792-M833 HydrophobicContact CG1-CG 3.63Å; V792-M833 HydrophobicContact CG1-SD 3.92Å; V792-M833 HydrophobicContact CG2-CG 3.81Å
793	G	98.6	Very high	98.6	Very high	17 Å²	17	42.3 Å²	42.3	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-38.8	179.7	0	0	0	0	0	112.7	A789 V791 R797	A789-G793 WeakPolarHBondContact O-CA 3.32Å; A789-G793 PolarHBondContact O-N 2.84Å; V791-G793 PolarHBondContact O-N 2.89Å; G793-R797 VanDerWaalsContact O-CG 3.3Å; G793-R797 WeakPolarHBondContact O-CG 3.17Å; G793-R797 PolarHBondContact O-N 2.9Å; G793-R797 VanDerWaalsContact O-N 3.12Å; G793-R797 PolarHBondContact O-NH1 2.94Å
794	N	98.9	Very high	98.6	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-71.9	-46.5	177.9	-167.8	62.2	0	0	0	112.8	F726 N790 V791 V792 W796 R797 Q798 Y809 G814	F726-N794 HydrophobicContact CB-CB 4.1Å; F726-N794 HydrophobicContact CD1-CB 4.24Å; F726-N794 VanDerWaalsContact CD1-OD1 3.25Å; F726-N794 WeakPolarHBondContact CD1-OD1 3.38Å; N790-N794 VanDerWaalsContact O-CB 3.29Å; N790-N794 WeakPolarHBondContact O-CB 3.46Å; N790-N794 PolarHBondContact O-N 2.75Å; V791-N794 PolarHBondContact O-N 2.86Å; V792-N794 VanDerWaalsContact C-N 3.31Å; V792-N794 PolarHBondContact O-N 2.87Å; N794-W796 VanDerWaalsContact C-N 3.29Å; N794-W796 PolarHBondContact O-N 3.16Å; N794-R797 PolarHBondContact O-N 3.1Å; N794-R797 VanDerWaalsContact O-N 3.1Å; N794-Q798 WeakPolarHBondContact O-CG 3.44Å; N794-Q798 PolarHBondContact O-N 2.79Å; N794-Y809 WeakPolarHBondContact ND2-CD1 3.37Å; N794-G814 PolarHBondContact ND2-O 3.02Å; N794-G814 WeakPolarHBondContact OD1-CA 3.25Å; N794-G814 PolarHBondContact OD1-O 3.08Å
795	V	98.9	Very high	98.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-44	178.5	174.2	0	0	0	0	110.4	L390 L756 V791 V792 R797 Q798 Y799 L805 Y809 V829	L390-V795 HydrophobicContact CD1-CG1 4.3Å; L390-V795 HydrophobicContact CD2-CG1 4.26Å; L756-V795 HydrophobicContact CD1-CG2 4.03Å; V791-V795 WeakPolarHBondContact O-CG2 3.34Å; V791-V795 PolarHBondContact O-N 2.89Å; V792-V795 PolarHBondContact O-N 3.44Å; V795-R797 PolarHBondContact O-N 3.27Å; V795-Q798 PolarHBondContact O-N 3.35Å; V795-Y799 WeakPolarHBondContact O-CB 3.47Å; V795-Y799 PolarHBondContact O-N 2.68Å; V795-L805 HydrophobicContact CG1-CG 4.4Å; V795-Y809 HydrophobicContact CG2-CE2 3.97Å; V795-V829 HydrophobicContact CB-CG2 4.04Å; V795-V829 HydrophobicContact CG1-CB 4.2Å; V795-V829 HydrophobicContact CG1-CG1 4.18Å; V795-V829 HydrophobicContact CG1-CG2 3.92Å; V795-V829 HydrophobicContact CG2-CG2 4.39Å
796	W	98.6	Very high	98.6	Very high	63 Å²	63	40 Å²	40	24%	0.239	21%	0.214	C	C	.	.	H	α-helix	trans	-56.5	-47	173.4	178.9	112.2	0	0	0	111.8	E387 L390 V792 N794 Q798 Y799 Q800	E387-W796 HydrophobicContact CG-CG 4.5Å; L390-W796 HydrophobicContact CD2-CB 3.99Å; V792-W796 VanDerWaalsContact O-CB 3.3Å; V792-W796 WeakPolarHBondContact O-CB 3.41Å; V792-W796 PolarHBondContact O-N 3.34Å; N794-W796 VanDerWaalsContact C-N 3.29Å; N794-W796 PolarHBondContact O-N 3.16Å; W796-Q798 VanDerWaalsContact C-N 3.31Å; W796-Q798 PolarHBondContact O-N 2.72Å; W796-Y799 PolarHBondContact O-N 3.42Å; W796-Q800 HydrophobicContact CD2-CG 3.94Å; W796-Q800 HydrophobicContact CE3-CB 4.44Å; W796-Q800 HydrophobicContact CE3-CG 3.9Å; W796-Q800 HydrophobicContact CH2-CB 4.42Å; W796-Q800 HydrophobicContact CH2-CG 3.64Å; W796-Q800 VanDerWaalsContact CH2-NE2 3.26Å; W796-Q800 HydrophobicContact CZ2-CG 3.74Å; W796-Q800 HydrophobicContact CZ3-CB 4.1Å; W796-Q800 VanDerWaalsContact CZ3-CD 3.42Å; W796-Q800 HydrophobicContact CZ3-CG 3.66Å; W796-Q800 VanDerWaalsContact CZ3-OE1 3.25Å; W796-Q800 PolarHBondContact O-N 3.03Å
797	R	98.6	Very high	98.6	Very high	110 Å²	110	36.7 Å²	36.7	42%	0.415	20%	0.198	S	C	.	.	H	α-helix	trans	-65.9	-40.1	-174.9	-80.3	-174.1	-58.2	-92	1.7	110.6	G793 N794 V795 Q800 A801	G793-R797 VanDerWaalsContact O-CG 3.3Å; G793-R797 WeakPolarHBondContact O-CG 3.17Å; G793-R797 PolarHBondContact O-N 2.9Å; G793-R797 VanDerWaalsContact O-N 3.12Å; G793-R797 PolarHBondContact O-NH1 2.94Å; N794-R797 PolarHBondContact O-N 3.1Å; N794-R797 VanDerWaalsContact O-N 3.1Å; V795-R797 PolarHBondContact O-N 3.27Å; R797-Q800 PolarHBondContact O-N 3.31Å; R797-A801 VanDerWaalsContact O-CB 3.29Å; R797-A801 WeakPolarHBondContact O-CB 3.42Å; R797-A801 PolarHBondContact O-N 3.29Å
798	Q	98.6	Very high	98.5	Very high	30 Å²	30	37.1 Å²	37.1	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-70.3	-38.4	176.7	-66.7	-51.1	115.1	0	0	112.5	N794 V795 W796 Q800 A801 T802 Y809 G814	N794-Q798 WeakPolarHBondContact O-CG 3.44Å; N794-Q798 PolarHBondContact O-N 2.79Å; V795-Q798 PolarHBondContact O-N 3.35Å; W796-Q798 VanDerWaalsContact C-N 3.31Å; W796-Q798 PolarHBondContact O-N 2.72Å; Q798-Q800 VanDerWaalsContact C-N 3.35Å; Q798-A801 PolarHBondContact O-N 3.28Å; Q798-T802 WeakPolarHBondContact O-CB 3.37Å; Q798-T802 PolarHBondContact O-N 2.96Å; Q798-T802 PolarHBondContact O-OG1 3.28Å; Q798-Y809 HydrophobicContact CB-CD1 4.39Å; Q798-Y809 HydrophobicContact CB-CE1 3.77Å; Q798-Y809 HydrophobicContact CG-CD1 3.91Å; Q798-Y809 HydrophobicContact CG-CE1 3.8Å; Q798-G814 VanDerWaalsContact CG-O 3.23Å; Q798-G814 WeakPolarHBondContact CG-O 3.47Å
799	Y	98.5	Very high	98.5	Very high	64 Å²	64	35.1 Å²	35.1	25%	0.251	19%	0.193	S	C	.	.	H	α-helix	trans	-62.2	-44.1	173.9	-179.5	-112.8	0	0	0	111.1	L390 A393 V795 W796 G803 L805	L390-Y799 HydrophobicContact CB-CD1 4.44Å; L390-Y799 HydrophobicContact CD1-CD1 3.78Å; L390-Y799 HydrophobicContact CD1-CD2 4.34Å; L390-Y799 HydrophobicContact CD1-CE1 4.46Å; L390-Y799 HydrophobicContact CD1-CG 3.7Å; A393-Y799 HydrophobicContact CB-CE2 4.41Å; A393-Y799 WeakPolarHBondContact CB-OH 3.26Å; V795-Y799 WeakPolarHBondContact O-CB 3.47Å; V795-Y799 PolarHBondContact O-N 2.68Å; W796-Y799 PolarHBondContact O-N 3.42Å; Y799-G803 WeakPolarHBondContact O-CA 3.39Å; Y799-G803 PolarHBondContact O-N 2.97Å; Y799-L805 HydrophobicContact CD2-CD1 3.56Å; Y799-L805 HydrophobicContact CE2-CD1 4.15Å; Y799-L805 HydrophobicContact CG-CD1 4.14Å
800	Q	97.8	Very high	98.5	Very high	122 Å²	122	32.6 Å²	32.6	57%	0.57	17%	0.171	S	C	*	.	H	α-helix	trans	-62.7	-44.8	174.2	-76.4	-141.3	-22	0	0	113.5	W796 R797 Q798 T802	W796-Q800 HydrophobicContact CD2-CG 3.94Å; W796-Q800 HydrophobicContact CE3-CB 4.44Å; W796-Q800 HydrophobicContact CE3-CG 3.9Å; W796-Q800 HydrophobicContact CH2-CB 4.42Å; W796-Q800 HydrophobicContact CH2-CG 3.64Å; W796-Q800 VanDerWaalsContact CH2-NE2 3.26Å; W796-Q800 HydrophobicContact CZ2-CG 3.74Å; W796-Q800 HydrophobicContact CZ3-CB 4.1Å; W796-Q800 VanDerWaalsContact CZ3-CD 3.42Å; W796-Q800 HydrophobicContact CZ3-CG 3.66Å; W796-Q800 VanDerWaalsContact CZ3-OE1 3.25Å; W796-Q800 PolarHBondContact O-N 3.03Å; R797-Q800 PolarHBondContact O-N 3.31Å; Q798-Q800 VanDerWaalsContact C-N 3.35Å; Q800-T802 VanDerWaalsContact C-N 3.33Å; Q800-T802 PolarHBondContact O-N 3.06Å
801	A	97.9	Very high	98.5	Very high	79 Å²	79	31.2 Å²	31.2	65%	0.653	16%	0.164	S	C	*	.	H	α-helix	trans	-71.5	-28.5	-176.2	0	0	0	0	0	113.1	R797 Q798	R797-A801 VanDerWaalsContact O-CB 3.29Å; R797-A801 WeakPolarHBondContact O-CB 3.42Å; R797-A801 PolarHBondContact O-N 3.29Å; Q798-A801 PolarHBondContact O-N 3.28Å
802	T	98	Very high	98.5	Very high	44 Å²	44	39.3 Å²	39.3	27%	0.27	19%	0.194	S	C	.	.	H	α-helix	trans	-124.8	-15.3	-168.5	69.9	0	0	0	0	114.8	Q798 Q800 F804 W806	Q798-T802 WeakPolarHBondContact O-CB 3.37Å; Q798-T802 PolarHBondContact O-N 2.96Å; Q798-T802 PolarHBondContact O-OG1 3.28Å; Q800-T802 VanDerWaalsContact C-N 3.33Å; Q800-T802 PolarHBondContact O-N 3.06Å; T802-F804 WeakPolarHBondContact O-CD2 3.49Å; T802-F804 PolarHBondContact O-N 3.37Å; T802-F804 PolarHBondContact OG1-N 2.89Å; T802-W806 HydrophobicContact CG2-CZ2 4.16Å; T802-W806 PolarHBondContact OG1-NE1 2.85Å
803	G	97.6	Very high	98.5	Very high	23 Å²	23	42.5 Å²	42.5	24%	0.237	21%	0.211	C	C	.	.	S	Bend	trans	69.6	15.3	-172.4	0	0	0	0	0	114.7	Y799	Y799-G803 WeakPolarHBondContact O-CA 3.39Å; Y799-G803 PolarHBondContact O-N 2.97Å
804	F	98.5	Very high	98.5	Very high	12 Å²	12	41.7 Å²	41.7	5%	0.053	20%	0.202	C	C	.	.			trans	-133.7	148	-176.5	-70.6	-62.7	0	0	0	113.4	P145 Y146 T802 W806 R820 P821	P145-F804 VanDerWaalsContact CA-CZ 3.5Å; P145-F804 HydrophobicContact CB-CD2 4.48Å; P145-F804 HydrophobicContact CB-CE2 4.14Å; P145-F804 HydrophobicContact CB-CZ 4.23Å; Y146-F804 AromaticContact CD1-CE1 3.93Å; Y146-F804 HydrophobicContact CD1-CE1 3.93Å; Y146-F804 AromaticContact CD1-CZ 3.88Å; Y146-F804 HydrophobicContact CD1-CZ 3.88Å; Y146-F804 HydrophobicContact CE1-CE1 4.1Å; Y146-F804 HydrophobicContact CE1-CZ 4.11Å; Y146-F804 HydrophobicContact CG-CE1 4.44Å; Y146-F804 WeakPolarHBondContact O-CE1 3.14Å; T802-F804 WeakPolarHBondContact O-CD2 3.49Å; T802-F804 PolarHBondContact O-N 3.37Å; T802-F804 PolarHBondContact OG1-N 2.89Å; F804-W806 VanDerWaalsContact O-CD1 3.23Å; F804-W806 PolarHBondContact O-NE1 3.34Å; F804-R820 HydrophobicContact CB-CB 4.16Å; F804-R820 HydrophobicContact CB-CG 4.24Å; F804-R820 HydrophobicContact CD1-CB 4.5Å; F804-R820 HydrophobicContact CD1-CG 4.32Å; F804-R820 HydrophobicContact CD2-CG 3.79Å; F804-R820 HydrophobicContact CE2-CG 4.11Å; F804-R820 HydrophobicContact CG-CB 4.2Å; F804-R820 HydrophobicContact CG-CG 3.88Å; F804-R820 HydrophobicContact CZ-CG 4.49Å; F804-P821 HydrophobicContact CD1-CB 3.93Å; F804-P821 HydrophobicContact CE1-CB 4.21Å; F804-P821 HydrophobicContact CE1-CG 4.43Å
805	L	98.7	Very high	98.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.			trans	-85.7	141.3	154.2	-85.3	62.8	0	0	0	109.1	L390 A394 V795 Y799 F822 T826 V829	L390-L805 HydrophobicContact CD1-CD1 3.76Å; A394-L805 HydrophobicContact CB-CD2 4.07Å; V795-L805 HydrophobicContact CG1-CG 4.4Å; Y799-L805 HydrophobicContact CD2-CD1 3.56Å; Y799-L805 HydrophobicContact CE2-CD1 4.15Å; Y799-L805 HydrophobicContact CG-CD1 4.14Å; L805-F822 PolarHBondContact O-N 3.4Å; L805-T826 HydrophobicContact CB-CG2 3.94Å; L805-T826 HydrophobicContact CD2-CG2 3.96Å; L805-T826 HydrophobicContact CG-CG2 3.95Å; L805-V829 HydrophobicContact CD2-CG1 4.31Å
806	W	98.8	Very high	98.5	Very high	36 Å²	36	48.1 Å²	48.1	14%	0.136	23%	0.23	C	C	.	.			trans	-117.6	155.5	-171.7	-64.3	78.1	0	0	0	111	T802 F804 Y809 G816 R820 T826	T802-W806 HydrophobicContact CG2-CZ2 4.16Å; T802-W806 PolarHBondContact OG1-NE1 2.85Å; F804-W806 VanDerWaalsContact O-CD1 3.23Å; F804-W806 PolarHBondContact O-NE1 3.34Å; W806-Y809 HydrophobicContact CB-CE1 4.2Å; W806-Y809 PolarHBondContact N-OH 3Å; W806-G816 VanDerWaalsContact CG-CA 3.48Å; W806-R820 HydrophobicContact CD2-CB 4.01Å; W806-R820 HydrophobicContact CD2-CG 4.35Å; W806-R820 HydrophobicContact CE3-CB 3.88Å; W806-R820 HydrophobicContact CE3-CG 4.1Å; W806-R820 HydrophobicContact CH2-CG 3.89Å; W806-R820 HydrophobicContact CZ2-CG 4.1Å; W806-R820 HydrophobicContact CZ3-CB 4.2Å; W806-R820 VanDerWaalsContact CZ3-CD 3.41Å; W806-R820 HydrophobicContact CZ3-CG 3.9Å; W806-T826 WeakPolarHBondContact O-CB 3.36Å; W806-T826 WeakPolarHBondContact O-CG2 3.45Å; W806-T826 PolarHBondContact O-OG1 3.46Å
807	E	98.8	Very high	98.4	Very high	8 Å²	8	48 Å²	48	4%	0.037	23%	0.233	C	C	.	.	S	Bend	trans	-61	-43.8	179.6	176.9	168.9	-128.1	0	0	112.5	Y749 W755 G818 C819 F822	Y749-E807 PolarHBondContact OH-OE1 2.98Å; Y749-E807 PolarHBondContact OH-OE2 2.57Å; W755-E807 HydrophobicContact CE3-CG 4.41Å; W755-E807 VanDerWaalsContact CE3-O 3.24Å; W755-E807 HydrophobicContact CH2-CG 3.73Å; W755-E807 HydrophobicContact CZ3-CG 3.36Å; W755-E807 WeakPolarHBondContact CZ3-O 3.47Å; E807-G818 WeakPolarHBondContact OE2-CA 3.34Å; E807-C819 HydrophobicContact CB-CB 4.32Å; E807-C819 PolarHBondContact N-O 2.81Å; E807-C819 WeakPolarHBondContact OE2-CB 3.41Å; E807-C819 PolarHBondContact OE2-N 3.04Å; E807-C819 PolarHBondContact OE2-SG 3.45Å; E807-F822 VanDerWaalsContact CA-CG 3.45Å; E807-F822 HydrophobicContact CB-CB 4.1Å; E807-F822 HydrophobicContact CB-CD1 4.38Å; E807-F822 HydrophobicContact CB-CD2 3.6Å; E807-F822 HydrophobicContact CB-CE2 4.07Å; E807-F822 HydrophobicContact CB-CG 3.78Å; E807-F822 HydrophobicContact CG-CD2 3.87Å; E807-F822 HydrophobicContact CG-CE2 3.79Å; E807-F822 HydrophobicContact CG-CG 4.37Å; E807-F822 HydrophobicContact CG-CZ 4.25Å; E807-F822 VanDerWaalsContact N-CB 3.33Å
808	Q	98.8	Very high	98.3	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.6	178	56.4	170.9	11.8	0	0	111	Y749 A753 V754 W755 M817	Y749-Q808 PolarHBondContact O-OE1 2.88Å; A753-Q808 HydrophobicContact CB-CB 4.28Å; A753-Q808 HydrophobicContact CB-CG 4.42Å; V754-Q808 WeakPolarHBondContact O-CA 3.19Å; W755-Q808 HydrophobicContact CD2-CB 3.8Å; W755-Q808 HydrophobicContact CE3-CB 3.97Å; W755-Q808 HydrophobicContact CG-CB 4.38Å; W755-Q808 HydrophobicContact CH2-CB 4.15Å; W755-Q808 HydrophobicContact CH2-CG 4.31Å; W755-Q808 HydrophobicContact CZ2-CB 3.97Å; W755-Q808 HydrophobicContact CZ2-CG 4.17Å; W755-Q808 HydrophobicContact CZ3-CB 4.12Å; Q808-M817 HydrophobicContact CG-CB 4.06Å; Q808-M817 PolarHBondContact N-O 3.08Å; Q808-M817 PolarHBondContact O-N 2.83Å; Q808-M817 VanDerWaalsContact O-O 3.09Å
809	Y	98.9	Very high	98.2	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.1	-180	-61.4	-92	0	0	0	110.9	V754 N794 V795 Q798 W806 D811 G814 R815 T826	V754-Y809 PolarHBondContact N-O 3.05Å; V754-Y809 PolarHBondContact O-N 3.04Å; N794-Y809 WeakPolarHBondContact ND2-CD1 3.37Å; V795-Y809 HydrophobicContact CG2-CE2 3.97Å; Q798-Y809 HydrophobicContact CB-CD1 4.39Å; Q798-Y809 HydrophobicContact CB-CE1 3.77Å; Q798-Y809 HydrophobicContact CG-CD1 3.91Å; Q798-Y809 HydrophobicContact CG-CE1 3.8Å; W806-Y809 HydrophobicContact CB-CE1 4.2Å; W806-Y809 PolarHBondContact N-OH 3Å; Y809-D811 PolarHBondContact O-N 2.88Å; Y809-G814 WeakPolarHBondContact CD1-O 3.34Å; Y809-R815 WeakPolarHBondContact CA-O 3.2Å; Y809-T826 HydrophobicContact CE2-CG2 4.05Å
810	S	98.8	Very high	98.1	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.049	22%	0.223	C	C	.	.			trans	-63.2	130.7	173.6	171.2	0	0	0	0	110.6	R812 D813 G814 R815	S810-R812 PolarHBondContact O-N 2.93Å; S810-R812 PolarHBondContact OG-N 2.82Å; S810-D813 WeakPolarHBondContact CB-OD1 3.33Å; S810-D813 PolarHBondContact OG-N 2.82Å; S810-D813 PolarHBondContact OG-OD1 2.73Å; S810-G814 WeakPolarHBondContact O-CA 3.26Å; S810-G814 PolarHBondContact O-N 2.86Å; S810-R815 PolarHBondContact N-O 2.9Å
811	D	98.6	Very high	98.1	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.07	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.3	176	68.8	-62.4	0	0	0	113.6	R729 Y738 G752 V754 Y809	R729-D811 VanDerWaalsContact CD-OD2 3.29Å; R729-D811 WeakPolarHBondContact CD-OD2 3.17Å; R729-D811 HydrophobicContact CG-CB 3.72Å; R729-D811 IonicContact CZ-OD2 2.65Å; R729-D811 IonicContact NE-OD2 3.91Å; R729-D811 PolarHBondContact NE-OD2 3.12Å; Y738-D811 WeakPolarHBondContact CE2-OD2 3.46Å; Y738-D811 VanDerWaalsContact OH-CG 3.29Å; Y738-D811 PolarHBondContact OH-OD1 2.7Å; Y738-D811 PolarHBondContact OH-OD2 2.75Å; G752-D811 WeakPolarHBondContact O-CB 3.27Å; V754-D811 HydrophobicContact CG2-CB 4.11Å; Y809-D811 PolarHBondContact O-N 2.88Å
812	R	98	Very high	98.1	Very high	173 Å²	173	33.2 Å²	33.2	65%	0.653	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-41.7	-175.6	-60.4	-175.7	-177.8	-176.3	2.7	113.1	F726 Y738 S810	F726-R812 WeakPolarHBondContact CE2-O 3.32Å; Y738-R812 VanDerWaalsContact CE1-NH2 3.31Å; Y738-R812 PolarHBondContact OH-NE 3.03Å; S810-R812 PolarHBondContact O-N 2.93Å; S810-R812 PolarHBondContact OG-N 2.82Å
813	D	98.3	Very high	97.9	Very high	73 Å²	73	31.8 Å²	31.8	39%	0.39	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	3.7	-175	63.2	-6.7	0	0	0	113.2	F726 S810 R815	F726-D813 VanDerWaalsContact CZ-C 3.43Å; S810-D813 WeakPolarHBondContact CB-OD1 3.33Å; S810-D813 PolarHBondContact OG-N 2.82Å; S810-D813 PolarHBondContact OG-OD1 2.73Å; D813-R815 PolarHBondContact O-N 3.04Å; D813-R815 VanDerWaalsContact O-N 3.14Å; D813-R815 WeakPolarHBondContact OD1-CG 3.2Å; D813-R815 PolarHBondContact OD1-N 2.85Å; D813-R815 IonicContact OD1-NH1 3.72Å; D813-R815 WeakPolarHBondContact OD2-CD 3.46Å; D813-R815 IonicContact OD2-CZ 3.61Å; D813-R815 IonicContact OD2-NE 2.77Å; D813-R815 IonicContact OD2-NH1 3.62Å; D813-R815 PolarHBondContact OD2-NH1 3.05Å
814	G	98.7	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.			trans	74.3	-3.2	176.5	0	0	0	0	0	114.8	F726 N794 Q798 Y809 S810	F726-G814 VanDerWaalsContact CD1-CA 3.5Å; F726-G814 VanDerWaalsContact CG-CA 3.48Å; N794-G814 PolarHBondContact ND2-O 3.02Å; N794-G814 WeakPolarHBondContact OD1-CA 3.25Å; N794-G814 PolarHBondContact OD1-O 3.08Å; Q798-G814 VanDerWaalsContact CG-O 3.23Å; Q798-G814 WeakPolarHBondContact CG-O 3.47Å; Y809-G814 WeakPolarHBondContact CD1-O 3.34Å; S810-G814 WeakPolarHBondContact O-CA 3.26Å; S810-G814 PolarHBondContact O-N 2.86Å
815	R	98.7	Very high	97.7	Very high	129 Å²	129	30.6 Å²	30.6	49%	0.487	14%	0.144	S	C	.	.			trans	-62.7	141.9	-174.7	79.8	-175.9	177.3	-114	-1.8	111.8	Y809 S810 D813 M817	Y809-R815 WeakPolarHBondContact CA-O 3.2Å; S810-R815 PolarHBondContact N-O 2.9Å; D813-R815 PolarHBondContact O-N 3.04Å; D813-R815 VanDerWaalsContact O-N 3.14Å; D813-R815 WeakPolarHBondContact OD1-CG 3.2Å; D813-R815 PolarHBondContact OD1-N 2.85Å; D813-R815 IonicContact OD1-NH1 3.72Å; D813-R815 WeakPolarHBondContact OD2-CD 3.46Å; D813-R815 IonicContact OD2-CZ 3.61Å; D813-R815 IonicContact OD2-NE 2.77Å; D813-R815 IonicContact OD2-NH1 3.62Å; D813-R815 PolarHBondContact OD2-NH1 3.05Å; R815-M817 HydrophobicContact CG-CG 4.18Å
816	G	98.7	Very high	97.7	Very high	12 Å²	12	30.6 Å²	30.6	12%	0.124	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	137.5	173.2	0	0	0	0	0	111.8	W806	W806-G816 VanDerWaalsContact CG-CA 3.48Å
817	M	98.3	Very high	97.7	Very high	60 Å²	60	28.9 Å²	28.9	30%	0.296	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.8	-176.8	-68.9	-180	58.5	0	0	110.9	Q808 R815	Q808-M817 HydrophobicContact CG-CB 4.06Å; Q808-M817 PolarHBondContact N-O 3.08Å; Q808-M817 PolarHBondContact O-N 2.83Å; Q808-M817 VanDerWaalsContact O-O 3.09Å; R815-M817 HydrophobicContact CG-CG 4.18Å
818	G	96.1	Very high	97.8	Very high	33 Å²	33	28.5 Å²	28.5	34%	0.34	14%	0.136	S	C	.	.	S	Bend	trans	81.3	-148.1	179.2	0	0	0	0	0	113.5	Q139 E807	Q139-G818 PolarHBondContact NE2-O 2.73Å; E807-G818 WeakPolarHBondContact OE2-CA 3.34Å
819	C	95.4	Very high	97.8	Very high	12 Å²	12	28.1 Å²	28.1	8%	0.081	13%	0.134	C	C	.	.	S	Bend	trans	-71.9	143.4	-179	-57.6	0	0	0	0	111.4	F443 F444 E807 F822	F443-C819 HydrophobicContact CB-CB 4.24Å; F443-C819 HydrophobicContact CD2-CB 4.11Å; F443-C819 HydrophobicContact CG-CB 4.49Å; F444-C819 HydrophobicContact CE2-CB 4.4Å; F444-C819 VanDerWaalsContact CE2-SG 3.56Å; E807-C819 HydrophobicContact CB-CB 4.32Å; E807-C819 PolarHBondContact N-O 2.81Å; E807-C819 WeakPolarHBondContact OE2-CB 3.41Å; E807-C819 PolarHBondContact OE2-N 3.04Å; E807-C819 PolarHBondContact OE2-SG 3.45Å; C819-F822 HydrophobicContact CB-CD2 4.38Å
820	R	96.9	Very high	97.8	Very high	45 Å²	45	27.9 Å²	27.9	17%	0.17	13%	0.133	C	C	.	.	S	Bend	trans	-149.5	148.3	169.1	79.6	-68.1	177.6	-91.3	7.3	111.8	Q139 S442 F804 W806	Q139-R820 PolarHBondContact O-NH1 3.36Å; Q139-R820 PolarHBondContact O-NH2 3.29Å; Q139-R820 VanDerWaalsContact OE1-NH1 3.12Å; Q139-R820 PolarHBondContact OE1-O 2.86Å; Q139-R820 VanDerWaalsContact OE1-O 3.12Å; S442-R820 PolarHBondContact OG-O 2.97Å; F804-R820 HydrophobicContact CB-CB 4.16Å; F804-R820 HydrophobicContact CB-CG 4.24Å; F804-R820 HydrophobicContact CD1-CB 4.5Å; F804-R820 HydrophobicContact CD1-CG 4.32Å; F804-R820 HydrophobicContact CD2-CG 3.79Å; F804-R820 HydrophobicContact CE2-CG 4.11Å; F804-R820 HydrophobicContact CG-CB 4.2Å; F804-R820 HydrophobicContact CG-CG 3.88Å; F804-R820 HydrophobicContact CZ-CG 4.49Å; W806-R820 HydrophobicContact CD2-CB 4.01Å; W806-R820 HydrophobicContact CD2-CG 4.35Å; W806-R820 HydrophobicContact CE3-CB 3.88Å; W806-R820 HydrophobicContact CE3-CG 4.1Å; W806-R820 HydrophobicContact CH2-CG 3.89Å; W806-R820 HydrophobicContact CZ2-CG 4.1Å; W806-R820 HydrophobicContact CZ3-CB 4.2Å; W806-R820 VanDerWaalsContact CZ3-CD 3.41Å; W806-R820 HydrophobicContact CZ3-CG 3.9Å
821	P	97.6	Very high	97.8	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.013	13%	0.131	C	C	.	.	S	Bend	cis	-66.1	135.6	-6.7	26.1	-32.3	0	0	0	111.9	Y146 S440 R441 F804 H823	Y146-P821 HydrophobicContact CE2-CG 3.86Å; Y146-P821 VanDerWaalsContact CZ-CD 3.47Å; Y146-P821 WeakPolarHBondContact OH-CD 3.45Å; S440-P821 WeakPolarHBondContact CA-O 3.45Å; S440-P821 WeakPolarHBondContact CB-O 3.45Å; S440-P821 PolarHBondContact OG-O 2.82Å; R441-P821 HydrophobicContact CB-CG 4.45Å; F804-P821 HydrophobicContact CD1-CB 3.93Å; F804-P821 HydrophobicContact CE1-CB 4.21Å; F804-P821 HydrophobicContact CE1-CG 4.43Å; P821-H823 VanDerWaalsContact CB-CE1 3.49Å; P821-H823 WeakPolarHBondContact CB-CE1 3.49Å; P821-H823 WeakPolarHBondContact CB-ND1 3.21Å
822	F	98.4	Very high	97.8	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	13%	0.129	C	C	.	.			trans	-113	74.1	173.6	-161.3	-87.7	0	0	0	109	P439 L805 E807 C819 G824 W825 T826	P439-F822 HydrophobicContact CB-CE2 3.72Å; P439-F822 HydrophobicContact CB-CZ 3.83Å; L805-F822 PolarHBondContact O-N 3.4Å; E807-F822 VanDerWaalsContact CA-CG 3.45Å; E807-F822 HydrophobicContact CB-CB 4.1Å; E807-F822 HydrophobicContact CB-CD1 4.38Å; E807-F822 HydrophobicContact CB-CD2 3.6Å; E807-F822 HydrophobicContact CB-CE2 4.07Å; E807-F822 HydrophobicContact CB-CG 3.78Å; E807-F822 HydrophobicContact CG-CD2 3.87Å; E807-F822 HydrophobicContact CG-CE2 3.79Å; E807-F822 HydrophobicContact CG-CG 4.37Å; E807-F822 HydrophobicContact CG-CZ 4.25Å; E807-F822 VanDerWaalsContact N-CB 3.33Å; C819-F822 HydrophobicContact CB-CD2 4.38Å; F822-G824 PolarHBondContact O-N 2.94Å; F822-W825 AromaticContact CE1-CD1 3.59Å; F822-W825 AromaticContact CE1-CD2 3.89Å; F822-W825 HydrophobicContact CE1-CD2 3.89Å; F822-W825 AromaticContact CE1-CE2 3.63Å; F822-W825 AromaticContact CE1-CG 3.86Å; F822-W825 HydrophobicContact CE1-CG 3.86Å; F822-W825 HydrophobicContact CE1-CZ2 4.27Å; F822-W825 AromaticContact CE1-NE1 3.39Å; F822-W825 HydrophobicContact CZ-CD2 4.16Å; F822-W825 AromaticContact CZ-CE2 3.8Å; F822-W825 HydrophobicContact CZ-CH2 4.45Å; F822-W825 AromaticContact CZ-CZ2 3.98Å; F822-W825 HydrophobicContact CZ-CZ2 3.98Å; F822-W825 AromaticContact CZ-NE1 4Å; F822-T826 WeakPolarHBondContact CD1-OG1 3.23Å; F822-T826 WeakPolarHBondContact O-CB 3.3Å
823	H	94.1	Very high	97.8	Very high	14 Å²	14	18.9 Å²	18.9	7%	0.065	10%	0.098	C	C	.	.			trans	-88.9	32.9	171.1	-57.4	100.6	0	0	0	110.7	S397 L398 P821 S827	S397-H823 WeakPolarHBondContact CB-CD2 3.44Å; S397-H823 VanDerWaalsContact CB-ND1 3.29Å; S397-H823 WeakPolarHBondContact CB-ND1 3.2Å; L398-H823 WeakPolarHBondContact CD1-O 3.47Å; P821-H823 VanDerWaalsContact CB-CE1 3.49Å; P821-H823 WeakPolarHBondContact CB-CE1 3.49Å; P821-H823 WeakPolarHBondContact CB-ND1 3.21Å; H823-S827 PolarHBondContact O-OG 2.9Å
824	G	93.6	Very high	97.8	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.01	8%	0.079	C	C	.	.	S	Bend	trans	-79.2	-127.2	164.3	0	0	0	0	0	110	P439 H455 F822 T826 S827	P439-G824 PolarHBondContact O-N 2.81Å; P439-G824 VanDerWaalsContact O-N 3.1Å; H455-G824 VanDerWaalsContact CD2-C 3.47Å; H455-G824 WeakPolarHBondContact NE2-CA 3.27Å; F822-G824 PolarHBondContact O-N 2.94Å; G824-T826 PolarHBondContact O-N 2.91Å; G824-S827 WeakPolarHBondContact O-CB 3.3Å; G824-S827 PolarHBondContact O-N 3.08Å
825	W	98.4	Very high	97.8	Very high	9 Å²	9	19 Å²	19	3%	0.034	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-61.9	-16	179.5	61.5	53.4	0	0	0	115.1	W450 D451 F454 W750 W755 N757 F822 S827 L828	W450-W825 HydrophobicContact CD2-CZ3 4.3Å; W450-W825 AromaticContact CE2-CH2 3.98Å; W450-W825 AromaticContact CE2-CZ3 3.55Å; W450-W825 AromaticContact CH2-CH2 3.73Å; W450-W825 HydrophobicContact CH2-CH2 3.73Å; W450-W825 AromaticContact CH2-CZ3 3.7Å; W450-W825 HydrophobicContact CH2-CZ3 3.7Å; W450-W825 HydrophobicContact CZ2-CE3 4.44Å; W450-W825 AromaticContact CZ2-CH2 3.25Å; W450-W825 HydrophobicContact CZ2-CH2 3.25Å; W450-W825 HydrophobicContact CZ2-CZ2 4.44Å; W450-W825 AromaticContact CZ2-CZ3 3.24Å; W450-W825 HydrophobicContact CZ2-CZ3 3.24Å; W450-W825 HydrophobicContact CZ3-CZ3 4.36Å; W450-W825 AromaticContact NE1-CZ3 3.96Å; D451-W825 HydrophobicContact CB-CE3 4.41Å; D451-W825 HydrophobicContact CB-CZ3 4.42Å; D451-W825 WeakPolarHBondContact OD1-CZ3 3.09Å; F454-W825 HydrophobicContact CB-CB 3.84Å; F454-W825 HydrophobicContact CD2-CE3 4.23Å; F454-W825 HydrophobicContact CG-CB 4.29Å; W750-W825 HydrophobicContact CH2-CZ2 4.35Å; W750-W825 HydrophobicContact CZ2-CH2 4.31Å; W750-W825 HydrophobicContact CZ2-CZ2 4.3Å; W755-W825 AromaticContact CE3-CE2 3.95Å; W755-W825 AromaticContact CE3-CZ2 3.46Å; W755-W825 HydrophobicContact CE3-CZ2 3.46Å; W755-W825 VanDerWaalsContact CE3-CZ2 3.46Å; W755-W825 AromaticContact CE3-NE1 3.86Å; W755-W825 HydrophobicContact CZ3-CH2 4.42Å; W755-W825 AromaticContact CZ3-CZ2 3.47Å; W755-W825 HydrophobicContact CZ3-CZ2 3.47Å; W755-W825 VanDerWaalsContact CZ3-CZ2 3.47Å; N757-W825 HydrophobicContact CB-CB 3.88Å; N757-W825 HydrophobicContact CB-CD2 3.74Å; N757-W825 HydrophobicContact CB-CE3 4.09Å; N757-W825 HydrophobicContact CB-CG 3.64Å; N757-W825 WeakPolarHBondContact ND2-CZ3 3.42Å; F822-W825 AromaticContact CE1-CD1 3.59Å; F822-W825 AromaticContact CE1-CD2 3.89Å; F822-W825 HydrophobicContact CE1-CD2 3.89Å; F822-W825 AromaticContact CE1-CE2 3.63Å; F822-W825 AromaticContact CE1-CG 3.86Å; F822-W825 HydrophobicContact CE1-CG 3.86Å; F822-W825 HydrophobicContact CE1-CZ2 4.27Å; F822-W825 AromaticContact CE1-NE1 3.39Å; F822-W825 HydrophobicContact CZ-CD2 4.16Å; F822-W825 AromaticContact CZ-CE2 3.8Å; F822-W825 HydrophobicContact CZ-CH2 4.45Å; F822-W825 AromaticContact CZ-CZ2 3.98Å; F822-W825 HydrophobicContact CZ-CZ2 3.98Å; F822-W825 AromaticContact CZ-NE1 4Å; W825-S827 PolarHBondContact O-N 3.22Å; W825-L828 HydrophobicContact CB-CD1 4.05Å; W825-L828 WeakPolarHBondContact O-CB 3.26Å; W825-L828 WeakPolarHBondContact O-CD1 3.29Å; W825-L828 WeakPolarHBondContact O-CG 3.47Å; W825-L828 PolarHBondContact O-N 3.01Å
826	T	98.9	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-66.8	-15.7	174.7	-53.5	0	0	0	0	111.4	L756 L805 W806 Y809 F822 G824 L828 V829	L756-T826 VanDerWaalsContact CD2-C 3.47Å; L756-T826 VanDerWaalsContact CD2-CA 3.45Å; L756-T826 HydrophobicContact CD2-CG2 4.01Å; L756-T826 WeakPolarHBondContact CD2-O 3.41Å; L805-T826 HydrophobicContact CB-CG2 3.94Å; L805-T826 HydrophobicContact CD2-CG2 3.96Å; L805-T826 HydrophobicContact CG-CG2 3.95Å; W806-T826 WeakPolarHBondContact O-CB 3.36Å; W806-T826 WeakPolarHBondContact O-CG2 3.45Å; W806-T826 PolarHBondContact O-OG1 3.46Å; Y809-T826 HydrophobicContact CE2-CG2 4.05Å; F822-T826 WeakPolarHBondContact CD1-OG1 3.23Å; F822-T826 WeakPolarHBondContact O-CB 3.3Å; G824-T826 PolarHBondContact O-N 2.91Å; T826-L828 PolarHBondContact O-N 3.07Å; T826-V829 WeakPolarHBondContact O-CG1 3.49Å; T826-V829 PolarHBondContact O-N 3.28Å
827	S	98.9	Very high	97.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-68.5	-12.6	169.6	-66.6	0	0	0	0	114	A394 H823 G824 W825 V829 L830	A394-S827 PolarHBondContact O-OG 3.12Å; H823-S827 PolarHBondContact O-OG 2.9Å; G824-S827 WeakPolarHBondContact O-CB 3.3Å; G824-S827 PolarHBondContact O-N 3.08Å; W825-S827 PolarHBondContact O-N 3.22Å; S827-V829 PolarHBondContact O-N 3.49Å; S827-L830 WeakPolarHBondContact O-CB 3.42Å; S827-L830 PolarHBondContact O-N 3.29Å; S827-L830 VanDerWaalsContact O-N 3.09Å
828	L	98.9	Very high	97.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-60.6	-12.5	170.4	-67.9	167.1	0	0	0	113	F454 L457 V458 L756 Y760 W825 T826 L830 L831 A832	F454-L828 HydrophobicContact CB-CD1 4.06Å; F454-L828 HydrophobicContact CD1-CD1 3.75Å; F454-L828 HydrophobicContact CG-CD1 4.19Å; L457-L828 HydrophobicContact CB-CD2 4.26Å; L457-L828 HydrophobicContact CD1-CD2 4.49Å; V458-L828 HydrophobicContact CG2-CD2 3.84Å; V458-L828 HydrophobicContact CG2-CG 4.41Å; L756-L828 HydrophobicContact CD2-CB 4.13Å; Y760-L828 HydrophobicContact CD1-CD1 3.91Å; Y760-L828 HydrophobicContact CD1-CD2 3.93Å; Y760-L828 HydrophobicContact CD1-CG 4.4Å; Y760-L828 HydrophobicContact CD2-CB 4.12Å; Y760-L828 HydrophobicContact CD2-CD2 4.37Å; Y760-L828 HydrophobicContact CE1-CD2 3.97Å; Y760-L828 HydrophobicContact CE2-CD2 4.42Å; Y760-L828 HydrophobicContact CG-CB 4.04Å; Y760-L828 HydrophobicContact CG-CD1 3.91Å; Y760-L828 HydrophobicContact CG-CD2 4.12Å; Y760-L828 HydrophobicContact CG-CG 4.27Å; W825-L828 HydrophobicContact CB-CD1 4.05Å; W825-L828 WeakPolarHBondContact O-CB 3.26Å; W825-L828 WeakPolarHBondContact O-CD1 3.29Å; W825-L828 WeakPolarHBondContact O-CG 3.47Å; W825-L828 PolarHBondContact O-N 3.01Å; T826-L828 PolarHBondContact O-N 3.07Å; L828-L830 PolarHBondContact O-N 2.71Å; L828-L831 HydrophobicContact CD2-CD1 3.9Å; L828-L831 PolarHBondContact O-N 2.94Å; L828-A832 PolarHBondContact O-N 2.89Å
829	V	98.9	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.4	-30.9	172.3	70.7	0	0	0	0	111.2	L390 A394 L756 V792 V795 L805 T826 S827 A832 M833	L390-V829 HydrophobicContact CD2-CG1 4.46Å; L390-V829 HydrophobicContact CD2-CG2 4.19Å; L390-V829 HydrophobicContact CG-CG1 4.41Å; A394-V829 HydrophobicContact CB-CG1 4.17Å; L756-V829 HydrophobicContact CD2-CB 3.83Å; L756-V829 VanDerWaalsContact CD2-N 3.26Å; V792-V829 HydrophobicContact CG2-CG2 4.36Å; V795-V829 HydrophobicContact CB-CG2 4.04Å; V795-V829 HydrophobicContact CG1-CB 4.2Å; V795-V829 HydrophobicContact CG1-CG1 4.18Å; V795-V829 HydrophobicContact CG1-CG2 3.92Å; V795-V829 HydrophobicContact CG2-CG2 4.39Å; L805-V829 HydrophobicContact CD2-CG1 4.31Å; T826-V829 WeakPolarHBondContact O-CG1 3.49Å; T826-V829 PolarHBondContact O-N 3.28Å; S827-V829 PolarHBondContact O-N 3.49Å; V829-A832 PolarHBondContact O-N 3.16Å; V829-M833 WeakPolarHBondContact O-CB 3.39Å; V829-M833 VanDerWaalsContact O-CG 3.31Å; V829-M833 WeakPolarHBondContact O-CG 2.88Å; V829-M833 PolarHBondContact O-N 3.02Å
830	L	98.9	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.2	-50	173.1	173.7	56.2	0	0	0	111.5	F372 F376 L378 L395 V458 S827 L828 A832 M833 A834	F372-L830 HydrophobicContact CE2-CD1 4.1Å; F372-L830 HydrophobicContact CE2-CD2 4.21Å; F372-L830 HydrophobicContact CZ-CD1 3.84Å; F376-L830 HydrophobicContact CB-CD1 4.29Å; F376-L830 HydrophobicContact CD1-CD1 3.95Å; F376-L830 HydrophobicContact CD1-CD2 4.11Å; F376-L830 HydrophobicContact CD1-CG 3.94Å; F376-L830 HydrophobicContact CD2-CD1 4.34Å; F376-L830 HydrophobicContact CD2-CD2 4.29Å; F376-L830 HydrophobicContact CE1-CD1 4.39Å; F376-L830 HydrophobicContact CE1-CD2 3.71Å; F376-L830 HydrophobicContact CE1-CG 3.92Å; F376-L830 HydrophobicContact CE2-CD2 3.93Å; F376-L830 HydrophobicContact CG-CD1 3.92Å; F376-L830 HydrophobicContact CG-CD2 4.38Å; F376-L830 HydrophobicContact CG-CG 4.34Å; F376-L830 HydrophobicContact CZ-CD2 3.62Å; F376-L830 HydrophobicContact CZ-CG 4.33Å; L378-L830 HydrophobicContact CD1-CD1 3.89Å; L395-L830 HydrophobicContact CB-CD2 3.81Å; V458-L830 HydrophobicContact CG1-CD2 4.21Å; S827-L830 WeakPolarHBondContact O-CB 3.42Å; S827-L830 PolarHBondContact O-N 3.29Å; S827-L830 VanDerWaalsContact O-N 3.09Å; L828-L830 PolarHBondContact O-N 2.71Å; L830-A832 VanDerWaalsContact C-N 3.33Å; L830-A832 PolarHBondContact O-N 2.92Å; L830-M833 PolarHBondContact O-N 2.88Å; L830-A834 WeakPolarHBondContact O-CB 3.31Å; L830-A834 PolarHBondContact O-N 3.32Å
831	L	98.9	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68.3	-34.8	179	-58.2	-173	0	0	0	111.8	F376 L457 V458 R461 Y760 L828 M833 A834 E835 D836	F376-L831 HydrophobicContact CE1-CD2 4.06Å; L457-L831 HydrophobicContact CB-CD1 4.1Å; L457-L831 WeakPolarHBondContact O-CD1 3.5Å; V458-L831 HydrophobicContact CG2-CD1 3.97Å; V458-L831 HydrophobicContact CG2-CG 4.09Å; R461-L831 HydrophobicContact CG-CD2 3.9Å; Y760-L831 HydrophobicContact CD2-CB 4.42Å; Y760-L831 HydrophobicContact CE2-CB 3.55Å; Y760-L831 HydrophobicContact CE2-CD1 4.27Å; Y760-L831 WeakPolarHBondContact OH-CD1 3.38Å; L828-L831 HydrophobicContact CD2-CD1 3.9Å; L828-L831 PolarHBondContact O-N 2.94Å; L831-M833 VanDerWaalsContact C-N 3.34Å; L831-M833 PolarHBondContact O-N 3.04Å; L831-A834 CarbonylContact O-C 3.55Å; L831-A834 PolarHBondContact O-N 2.86Å; L831-E835 WeakPolarHBondContact O-CA 3.2Å; L831-E835 PolarHBondContact O-N 2.93Å; L831-D836 HydrophobicContact CD2-CB 4.45Å; L831-D836 PolarHBondContact O-N 3.43Å; L831-D836 VanDerWaalsContact O-N 3.09Å
832	A	98.8	Very high	97.9	Very high	3 Å²	3	12.2 Å²	12.2	3%	0.025	6%	0.057	C	C	.	.	H	α-helix	trans	-62.4	-40.4	171.8	0	0	0	0	0	111.8	L763 R788 V792 L828 V829 L830 E835	L763-A832 HydrophobicContact CD1-CB 3.93Å; R788-A832 WeakPolarHBondContact CD-O 3.36Å; R788-A832 PolarHBondContact NE-O 2.98Å; V792-A832 HydrophobicContact CG2-CB 4.38Å; L828-A832 PolarHBondContact O-N 2.89Å; V829-A832 PolarHBondContact O-N 3.16Å; L830-A832 VanDerWaalsContact C-N 3.33Å; L830-A832 PolarHBondContact O-N 2.92Å; A832-E835 PolarHBondContact O-N 2.67Å
833	M	98.8	Very high	97.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.3	-38.6	173.7	-72.9	-175.2	-59.5	0	0	112.2	L378 L383 E387 L390 R788 V792 V829 L830 L831 E835	L378-M833 HydrophobicContact CD1-CE 4.37Å; L378-M833 HydrophobicContact CD2-CB 4.07Å; L383-M833 HydrophobicContact CD1-CB 4.5Å; L383-M833 HydrophobicContact CD1-CG 4.48Å; E387-M833 HydrophobicContact CB-SD 3.89Å; E387-M833 HydrophobicContact CG-SD 4.39Å; L390-M833 HydrophobicContact CD2-CE 4.29Å; L390-M833 HydrophobicContact CD2-SD 4.26Å; L390-M833 HydrophobicContact CG-CE 4.33Å; R788-M833 PolarHBondContact NH2-O 3.08Å; V792-M833 HydrophobicContact CB-CG 4.41Å; V792-M833 HydrophobicContact CG1-CG 3.63Å; V792-M833 HydrophobicContact CG1-SD 3.92Å; V792-M833 HydrophobicContact CG2-CG 3.81Å; V829-M833 WeakPolarHBondContact O-CB 3.39Å; V829-M833 VanDerWaalsContact O-CG 3.31Å; V829-M833 WeakPolarHBondContact O-CG 2.88Å; V829-M833 PolarHBondContact O-N 3.02Å; L830-M833 PolarHBondContact O-N 2.88Å; L831-M833 VanDerWaalsContact C-N 3.34Å; L831-M833 PolarHBondContact O-N 3.04Å; M833-E835 VanDerWaalsContact C-N 3.27Å; M833-E835 PolarHBondContact O-N 3.01Å
834	A	98.6	Very high	98.1	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-74.8	-16.3	176	0	0	0	0	0	113.1	F376 L378 K381 L830 L831 D836	F376-A834 HydrophobicContact CD1-CB 4.38Å; L378-A834 HydrophobicContact CD2-CB 4.05Å; K381-A834 WeakPolarHBondContact CE-O 3.39Å; K381-A834 PolarHBondContact NZ-O 2.8Å; L830-A834 WeakPolarHBondContact O-CB 3.31Å; L830-A834 PolarHBondContact O-N 3.32Å; L831-A834 CarbonylContact O-C 3.55Å; L831-A834 PolarHBondContact O-N 2.86Å; A834-D836 VanDerWaalsContact C-N 3.27Å; A834-D836 HydrophobicContact CB-CB 4.49Å; A834-D836 WeakPolarHBondContact CB-OD2 3.35Å
835	E	98.3	Very high	98.5	Very high	76 Å²	76	13.7 Å²	13.7	36%	0.355	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	33.7	-174.1	-54.3	-171.2	107.1	0	0	113.7	H784 R788 L831 A832 M833 Y837	H784-E835 IonicContact CE1-OE1 3.8Å; H784-E835 PolarHBondContact CE1-OE1 3.35Å; H784-E835 VanDerWaalsContact CE1-OE1 3.29Å; R788-E835 WeakPolarHBondContact CD-OE1 3.11Å; R788-E835 IonicContact CZ-OE1 3.34Å; R788-E835 VanDerWaalsContact NE-CG 3.32Å; R788-E835 IonicContact NE-OE1 2.84Å; R788-E835 PolarHBondContact NE-OE1 3.32Å; L831-E835 WeakPolarHBondContact O-CA 3.2Å; L831-E835 PolarHBondContact O-N 2.93Å; A832-E835 PolarHBondContact O-N 2.67Å; M833-E835 VanDerWaalsContact C-N 3.27Å; M833-E835 PolarHBondContact O-N 3.01Å; E835-Y837 HydrophobicContact CB-CE2 3.86Å; E835-Y837 WeakPolarHBondContact O-CD2 2.89Å; E835-Y837 WeakPolarHBondContact O-CE2 3.29Å
836	D	98	Very high	98.5	Very high	38 Å²	38	14.1 Å²	14.1	20%	0.203	7%	0.066	C	C	.	.			trans	-99.5	108.9	177.8	-62.1	-24.5	0	0	0	109.5	K381 Y760 L831 A834	K381-D836 IonicContact NZ-OD1 3.62Å; Y760-D836 PolarHBondContact OH-O 3.11Å; L831-D836 HydrophobicContact CD2-CB 4.45Å; L831-D836 PolarHBondContact O-N 3.43Å; L831-D836 VanDerWaalsContact O-N 3.09Å; A834-D836 VanDerWaalsContact C-N 3.27Å; A834-D836 HydrophobicContact CB-CB 4.49Å; A834-D836 WeakPolarHBondContact CB-OD2 3.35Å
837	Y	96.1	Very high	98.5	Very high	50 Å²	50	15.4 Å²	15.4	20%	0.196	7%	0.072	C	C	.	.			trans	-121.1	0	-170.3	-55.4	-70.7	0	0	0	115.5	R700 Y760 L763 G764 H767 H784 E835	R700-Y837 PolarHBondContact NH2-OXT 3.35Å; Y760-Y837 HydrophobicContact CD2-CD1 4.42Å; Y760-Y837 AromaticContact CE2-CD1 3.89Å; Y760-Y837 HydrophobicContact CE2-CD1 3.89Å; Y760-Y837 HydrophobicContact CE2-CE1 4.28Å; L763-Y837 HydrophobicContact CB-CD1 4.33Å; L763-Y837 HydrophobicContact CB-CE1 3.59Å; G764-Y837 VanDerWaalsContact CA-CD1 3.44Å; H767-Y837 HydrophobicContact CB-CD2 3.74Å; H767-Y837 HydrophobicContact CB-CE2 3.79Å; H767-Y837 HydrophobicContact CB-CG 4.47Å; H767-Y837 AromaticContact CD2-CE2 3.69Å; H767-Y837 AromaticContact CG-CD2 3.58Å; H767-Y837 AromaticContact CG-CE2 3.65Å; H767-Y837 AromaticContact ND1-CD2 3.83Å; H784-Y837 AromaticContact NE2-CE2 3.58Å; H784-Y837 AromaticContact NE2-CZ 3.39Å; H784-Y837 PolarHBondContact NE2-OH 3.39Å; E835-Y837 HydrophobicContact CB-CE2 3.86Å; E835-Y837 WeakPolarHBondContact O-CD2 2.89Å; E835-Y837 WeakPolarHBondContact O-CE2 3.29Å

Retrieved 837 of 837 residues in 4119.4 ms (Link to these results)

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