A0A087XVB4_POEFO Loading...

Xylosyltransferase 1

AlphaFold DB , UniProt , Accession A0A087XVB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 838 aa.

						>A0A087XVB4_POEFO|A0A087XVB4
SSSAPPVSLQDGYYSHRPKEKSRVDSNNENSVPKDFENIDNSNFGARSHRQSVGATSSKQRERVQGKPHTQQQAWHDSSPRLGRSSNEILPIGRQSLEASLDQPGQSQHRHQHPHRKQATTPTLEVSYDQPPQCEISGKEAISALSRAKSKECRQQIAEVYCRHKEGQLMPDAVTRYCPIEGKANVNIQWDEDSVESFPLKPVRIAFVLVIHGRASRQFQRLFKAIYHTSHFYYIHVDQRSNYLHRQVQALASQYPNVRVTPWRMATIWGGASLLTMYLRSMADLLAMRDWSWDFFINLSAADYPIRNNNQLVAFLSKFRDLNFIKSHGRDNARFIRKQGLDRLFYECDTHMWRLGDRKIPEGISVDGGSDWFLLNRVFVEYVINSKDDLVTNMKRFYAYTLLPAESFFHTVLENSAHCESMVDNNLRITNWNRKLGCKCQYKHIVDWCGCSPNDFKPSDFHRFQQTVRPTFFARKFEASVNQEIVNQLDAYLFGPLPQGTLGLNSYWENVYDEPDGVASLSDTLLTYYHSFTRMGLVRAAASLQGNPNDHSCRYFPMGHPVSVHLYFHLDQFQGYLVKHHATNLATSKLEIMETWVAPKKNFKLTTLPGSTFSRLQFAEIGTEWDAKERMFRNIGGLMGPMDETVAMQKWNKGPNVTVTVVWIDPTNVIAATYDILIDASAEFTHYRPPLNQPLRPGVWNVRILHNWSPVAEIRFLIVPLAYNKHQPIRQEDTLRLHNGPAKNSYMEQSFHGLNPVLNIPVSLAYVERAKRNAALTGPELEGWVDGLVGELWEAADICAVGLTACPVMQPCAKSPWSSMSPDPKSQLGAPHPDGRIR
					

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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	S	31.9	Very low	30.1	Very low	167 Å²	167	127.1 Å²	127.1	100%	1.168	80%	0.801	S	S	*	*				0	164.8	0	-34.7	0	0	0	0	109.4
2	S	27.1	Very low	29.6	Very low	113 Å²	113	121 Å²	121	79%	0.79	78%	0.781	S	S	*	*			trans	-19.6	146	158.3	42.1	0	0	0	0	117.3
3	S	28.8	Very low	29.4	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	79%	0.792	S	S	*	*			cis	-164.5	153.9	8.9	36.8	0	0	0	0	113.6
4	A	25.3	Very low	29.1	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	79%	0.792	S	S	*	*			trans	-89.6	-161.7	162.9	0	0	0	0	0	109.7
5	P	47.5	Very low	29	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	80%	0.797	S	S	*	*			cis	-132.7	-140.9	-0.6	41.9	-18.7	0	0	0	110.4
6	P	40.6	Very low	28.9	Very low	106 Å²	106	136.3 Å²	136.3	69%	0.688	80%	0.795	S	S	*	*			cis	-137.3	149.5	-14.6	34.1	-12.8	0	0	0	119.3
7	V	28.3	Very low	28.9	Very low	131 Å²	131	141.5 Å²	141.5	79%	0.794	80%	0.798	S	S	*	*				40.7	124.5	127.3	-171.4	0	0	0	0	122
8	S	25.5	Very low	28.9	Very low	121 Å²	121	140.4 Å²	140.4	85%	0.846	80%	0.798	S	S	*	*				-146.1	174.3	128.2	65.9	0	0	0	0	110.3
9	L	24.7	Very low	28.7	Very low	151 Å²	151	143.5 Å²	143.5	79%	0.791	80%	0.802	S	S	*	*			trans	-142.5	170.4	-159.5	-111.4	164.2	0	0	0	112.6
10	Q	25.6	Very low	28.5	Very low	158 Å²	158	145.7 Å²	145.7	74%	0.738	81%	0.805	S	S	*	*			trans	72.4	154.1	169.5	-69.9	-176.6	-92.3	0	0	117.3
11	D	25.4	Very low	28.3	Very low	130 Å²	130	148 Å²	148	70%	0.695	81%	0.807	S	S	*	*			cis	-141.3	159.8	3.6	-122.2	-18.7	0	0	0	113.2
12	G	24.9	Very low	27.9	Very low	54 Å²	54	144.7 Å²	144.7	56%	0.557	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-101.7	125.9	-178.5	0	0	0	0	0	114.2
13	Y	26.5	Very low	27.7	Very low	235 Å²	235	150.2 Å²	150.2	92%	0.922	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-80.9	122.2	179.3	-90.1	-95.7	0	0	0	113.3
14	Y	25.4	Very low	27.4	Very low	205 Å²	205	150.2 Å²	150.2	80%	0.804	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-79.9	127.5	174.5	-84	-101.4	0	0	0	112	H16	Y14-H16 PolarHBondContact O-CD2 2.67Å; Y14-H16 PolarHBondContact O-N 3.19Å
15	S	27.1	Very low	27.3	Very low	122 Å²	122	152.6 Å²	152.6	85%	0.853	78%	0.782	S	S	*	*			trans	-78.3	111.2	170	-177.5	0	0	0	0	110.8	R17	S15-R17 PolarHBondContact O-N 2.93Å
16	H	28.5	Very low	26.3	Very low	167 Å²	167	152.4 Å²	152.4	77%	0.773	78%	0.784	S	S	*	*			trans	-82.2	108	-178.8	-82.1	-94.3	0	0	0	112	Y14	Y14-H16 PolarHBondContact O-CD2 2.67Å; Y14-H16 PolarHBondContact O-N 3.19Å
17	R	28.8	Very low	25.6	Very low	224 Å²	224	153.1 Å²	153.1	85%	0.845	78%	0.782	S	S	*	*			trans	-61.1	135	162.6	-64.7	-179.4	-179.4	176.2	-0.2	110.1	S15 K19	S15-R17 PolarHBondContact O-N 2.93Å; R17-K19 PolarHBondContact O-N 3.15Å; R17-K19 VanDerWaalsContact O-N 3.1Å
18	P	27.7	Very low	25.6	Very low	123 Å²	123	153.7 Å²	153.7	80%	0.799	78%	0.78	S	S	*	*			trans	-59	113.8	163.7	-22.4	33.9	0	0	0	110	E20	P18-E20 PolarHBondContact O-N 2.9Å
19	K	25.2	Very low	25.6	Very low	199 Å²	199	156.1 Å²	156.1	87%	0.865	78%	0.778	S	S	*	*			trans	-82.4	92.5	167.5	-82.9	-174.2	174.9	178.8	0	108.3	R17 K21	R17-K19 PolarHBondContact O-N 3.15Å; R17-K19 VanDerWaalsContact O-N 3.1Å; K19-K21 PolarHBondContact O-N 3.29Å; K19-K21 VanDerWaalsContact O-N 3.12Å
20	E	25.9	Very low	25.9	Very low	186 Å²	186	154.9 Å²	154.9	87%	0.869	77%	0.772	S	S	*	*			trans	-56.8	115.4	168.5	-173.9	172.8	-148.9	0	0	109.5	P18 S22	P18-E20 PolarHBondContact O-N 2.9Å; E20-S22 PolarHBondContact O-N 3.05Å
21	K	23.1	Very low	26.1	Very low	196 Å²	196	151.8 Å²	151.8	85%	0.852	77%	0.768	S	S	*	*			trans	-76.5	92.9	171.6	-80.5	-175.6	178.2	174.8	0	108.1	K19 R23	K19-K21 PolarHBondContact O-N 3.29Å; K19-K21 VanDerWaalsContact O-N 3.12Å; K21-R23 PolarHBondContact O-N 2.88Å
22	S	23.9	Very low	26.3	Very low	97 Å²	97	151.5 Å²	151.5	68%	0.678	77%	0.771	S	S	*	*			trans	-50.8	107.6	165.5	179.1	0	0	0	0	109.8	E20 V24	E20-S22 PolarHBondContact O-N 3.05Å; S22-V24 PolarHBondContact O-N 3.09Å
23	R	22.7	Very low	26.6	Very low	229 Å²	229	152.7 Å²	152.7	86%	0.864	77%	0.769	S	S	*	*			trans	-76.3	105	158.1	-85	-174.6	169.7	170.3	-2.3	106.1	K21 D25	K21-R23 PolarHBondContact O-N 2.88Å; R23-D25 VanDerWaalsContact C-N 3.28Å; R23-D25 PolarHBondContact O-N 3.13Å
24	V	23.6	Very low	26.8	Very low	117 Å²	117	150.8 Å²	150.8	71%	0.709	77%	0.765	S	S	*	*			trans	-75.9	85.2	174.7	-176.4	0	0	0	0	108.2	S22 S26	S22-V24 PolarHBondContact O-N 3.09Å; V24-S26 PolarHBondContact O-N 3.14Å
25	D	22.5	Very low	26.9	Very low	140 Å²	140	147.7 Å²	147.7	75%	0.749	76%	0.763	S	S	*	*			trans	-65.6	119.2	164.6	-75.8	-27.3	0	0	0	108.4	R23 N27	R23-D25 VanDerWaalsContact C-N 3.28Å; R23-D25 PolarHBondContact O-N 3.13Å; D25-N27 VanDerWaalsContact C-N 3.33Å; D25-N27 PolarHBondContact O-N 3.11Å
26	S	25.7	Very low	27.4	Very low	109 Å²	109	146.6 Å²	146.6	76%	0.762	74%	0.743	S	S	*	*	S	Bend	trans	-81	70.2	-165.1	49.4	0	0	0	0	113.5	V24	V24-S26 PolarHBondContact O-N 3.14Å
27	N	27.3	Very low	27.6	Very low	122 Å²	122	144.9 Å²	144.9	65%	0.652	74%	0.735	S	S	*	*			trans	-142.8	49.4	170.6	-91.1	-26.6	0	0	0	111.6	D25 E29	D25-N27 VanDerWaalsContact C-N 3.33Å; D25-N27 PolarHBondContact O-N 3.11Å; N27-E29 PolarHBondContact O-N 3.3Å
28	N	27.2	Very low	27.7	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	73%	0.732	S	S	*	*			trans	-94.3	63.1	-173.3	-164.9	31.9	0	0	0	114.5
29	E	26.4	Very low	27.9	Very low	173 Å²	173	141.6 Å²	141.6	81%	0.808	73%	0.726	S	S	*	*			trans	-106	29.9	163.3	-69.8	-151.5	134.6	0	0	112.5	N27 S31	N27-E29 PolarHBondContact O-N 3.3Å; E29-S31 PolarHBondContact O-N 3.36Å
30	N	30.3	Very low	28.2	Very low	124 Å²	124	137.6 Å²	137.6	66%	0.663	71%	0.714	S	S	*	*			trans	-74.6	72.9	179.5	-71.5	-62.1	0	0	0	111.9	V32	N30-V32 PolarHBondContact O-N 3.19Å
31	S	30.9	Very low	28.6	Very low	93 Å²	93	136.1 Å²	136.1	65%	0.65	71%	0.712	S	S	*	*			trans	-80.5	77.7	-174.6	53.1	0	0	0	0	113.5	E29 P33	E29-S31 PolarHBondContact O-N 3.36Å; S31-P33 VanDerWaalsContact C-CD 3.41Å; S31-P33 WeakPolarHBondContact O-CD 3.43Å
32	V	30.1	Very low	29.1	Very low	124 Å²	124	129.6 Å²	129.6	75%	0.752	69%	0.692	S	S	*	*			trans	-112.6	81.6	153.4	-171.6	0	0	0	0	109.7	N30	N30-V32 PolarHBondContact O-N 3.19Å
33	P	30.6	Very low	29.3	Very low	79 Å²	79	133.1 Å²	133.1	51%	0.513	70%	0.703	S	S	.	*			trans	-58	149.9	168.2	-21.8	33.8	0	0	0	111.1	S31 D35	S31-P33 VanDerWaalsContact C-CD 3.41Å; S31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-D35 PolarHBondContact O-N 3.23Å
34	K	30.3	Very low	30	Very low	195 Å²	195	129.2 Å²	129.2	85%	0.848	69%	0.692	S	S	*	*	S	Bend	trans	-70.9	-12.1	-177.5	-74.9	-176.6	173	-179.6	0	113.8	F36	K34-F36 VanDerWaalsContact C-N 3.27Å; K34-F36 PolarHBondContact O-N 3.05Å
35	D	28.5	Very low	30.1	Very low	140 Å²	140	127 Å²	127	75%	0.749	69%	0.693	S	S	*	*			trans	-83.7	65.4	-168.4	-45.9	-58.8	0	0	0	112.5	P33	P33-D35 PolarHBondContact O-N 3.23Å
36	F	36.8	Very low	30.2	Very low	99 Å²	99	125.1 Å²	125.1	43%	0.434	70%	0.697	S	S	.	*			trans	-134.9	22.9	167.6	-93.4	-75.4	0	0	0	112.3	K34 N38	K34-F36 VanDerWaalsContact C-N 3.27Å; K34-F36 PolarHBondContact O-N 3.05Å; F36-N38 VanDerWaalsContact C-N 3.28Å; F36-N38 PolarHBondContact O-N 3.13Å
37	E	32	Very low	30.2	Very low	132 Å²	132	130.5 Å²	130.5	62%	0.617	70%	0.701	S	S	*	*			trans	-78	77.1	166.4	-62.9	-140.4	126.2	0	0	110.9	K435	E37-K435 WeakPolarHBondContact OE1-CE 3.4Å; E37-K435 IonicContact OE1-NZ 2.79Å; E37-K435 PolarHBondContact OE1-NZ 3.41Å
38	N	30.8	Very low	30.2	Very low	146 Å²	146	129.4 Å²	129.4	78%	0.781	70%	0.703	S	S	*	*	S	Bend	trans	172.8	162.8	142.6	-91.2	-44.6	0	0	0	111	F36	F36-N38 VanDerWaalsContact C-N 3.28Å; F36-N38 PolarHBondContact O-N 3.13Å
39	I	32.7	Very low	30	Very low	132 Å²	132	130.3 Å²	130.3	68%	0.677	70%	0.702	S	S	*	*			trans	67.1	75.7	178.8	-46.3	-179.4	0	0	0	113.3	R330	I39-R330 PolarHBondContact O-NH2 3.45Å
40	D	31.5	Very low	30	Very low	114 Å²	114	133 Å²	133	61%	0.61	71%	0.705	S	S	*	*			trans	-47.9	163.5	142.6	-63.3	-74.3	0	0	0	112.1	S42	D40-S42 WeakPolarHBondContact CB-OG 3.48Å; D40-S42 PolarHBondContact O-N 3.06Å
41	N	34.9	Very low	29.6	Very low	156 Å²	156	135.8 Å²	135.8	83%	0.834	71%	0.714	S	S	*	*	S	Bend	trans	-76.2	42.8	170.3	-75.2	0.3	0	0	0	112.3
42	S	31.9	Very low	29.4	Very low	59 Å²	59	137 Å²	137	41%	0.413	72%	0.722	S	S	.	*			trans	-131	97.7	-179.8	56.7	0	0	0	0	110.7	D40 F44	D40-S42 WeakPolarHBondContact CB-OG 3.48Å; D40-S42 PolarHBondContact O-N 3.06Å; S42-F44 PolarHBondContact O-N 2.79Å
43	N	29.5	Very low	29.1	Very low	171 Å²	171	137.8 Å²	137.8	91%	0.914	73%	0.727	S	S	*	*			trans	-78.8	60.2	171.8	-119.1	1	0	0	0	110.3
44	F	37.2	Very low	28.8	Very low	146 Å²	146	137.2 Å²	137.2	64%	0.64	74%	0.736	S	S	*	*			trans	-115.9	64.5	-177.3	-63.9	-45.9	0	0	0	111.5	S42 A46 V468	S42-F44 PolarHBondContact O-N 2.79Å; F44-A46 PolarHBondContact O-N 2.69Å; F44-V468 HydrophobicContact CE1-CG2 4.22Å; F44-V468 HydrophobicContact CZ-CG2 4.28Å
45	G	25.1	Very low	28.4	Very low	70 Å²	70	132.6 Å²	132.6	72%	0.722	73%	0.734	S	S	*	*			trans	-83.6	102.8	171	0	0	0	0	0	111.7	R47	G45-R47 PolarHBondContact O-N 2.83Å
46	A	25.4	Very low	28.2	Very low	102 Å²	102	131.9 Å²	131.9	84%	0.843	74%	0.735	S	S	*	*			trans	-69.3	97.2	179.7	0	0	0	0	0	112.3	F44 S48	F44-A46 PolarHBondContact O-N 2.69Å; A46-S48 VanDerWaalsContact C-N 3.35Å; A46-S48 PolarHBondContact O-N 3.1Å
47	R	25	Very low	27.6	Very low	221 Å²	221	131.9 Å²	131.9	83%	0.834	75%	0.747	S	S	*	*			trans	-72.9	85	171.7	-78.6	-170.1	174.5	-178.2	-0.2	111.4	G45 H49	G45-R47 PolarHBondContact O-N 2.83Å; R47-H49 VanDerWaalsContact C-N 3.29Å; R47-H49 PolarHBondContact O-N 2.84Å
48	S	26.5	Very low	27.3	Very low	100 Å²	100	130.6 Å²	130.6	70%	0.699	75%	0.753	S	S	*	*			trans	-68.4	80.9	168.8	-177.1	0	0	0	0	111.3	A46 R50	A46-S48 VanDerWaalsContact C-N 3.35Å; A46-S48 PolarHBondContact O-N 3.1Å; S48-R50 VanDerWaalsContact C-N 3.34Å; S48-R50 PolarHBondContact O-N 3.29Å
49	H	24	Very low	27.1	Very low	161 Å²	161	133.8 Å²	133.8	75%	0.745	76%	0.759	S	S	*	*			trans	-71.9	89.1	165.9	-90.2	-79.7	0	0	0	109.8	R47 Q51	R47-H49 VanDerWaalsContact C-N 3.29Å; R47-H49 PolarHBondContact O-N 2.84Å; H49-Q51 PolarHBondContact O-N 2.85Å
50	R	25.3	Very low	26.8	Very low	228 Å²	228	135 Å²	135	86%	0.86	76%	0.763	S	S	*	*			trans	-74.4	98.9	162.8	-77.7	-173.1	171.8	-174.8	-2.5	109.5	S48	S48-R50 VanDerWaalsContact C-N 3.34Å; S48-R50 PolarHBondContact O-N 3.29Å
51	Q	23.8	Very low	26.6	Very low	183 Å²	183	139 Å²	139	86%	0.855	77%	0.769	S	S	*	*			trans	-70.2	130.9	154.2	-70.5	177.4	-25.8	0	0	108.4	H49	H49-Q51 PolarHBondContact O-N 2.85Å
52	S	24.8	Very low	26.2	Very low	119 Å²	119	138.6 Å²	138.6	83%	0.832	76%	0.762	S	S	*	*			trans	-126.5	135.2	161.1	54.9	0	0	0	0	108.6
53	V	25.1	Very low	25.9	Very low	140 Å²	140	146.8 Å²	146.8	85%	0.848	78%	0.784	S	S	*	*			trans	-121.9	127.2	-171.4	179	0	0	0	0	109.8
54	G	23.2	Very low	25.8	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	77%	0.773	S	S	*	*			trans	95.7	137.4	153.9	0	0	0	0	0	118.2
55	A	23	Very low	25.4	Very low	97 Å²	97	146.3 Å²	146.3	80%	0.802	79%	0.786	S	S	*	*			trans	67.2	142.8	158.6	0	0	0	0	0	118.3
56	T	24.6	Very low	25.4	Very low	126 Å²	126	146.8 Å²	146.8	77%	0.773	79%	0.791	S	S	*	*			cis	-154.3	144.7	-1.6	3.5	0	0	0	0	112.6
57	S	24.1	Very low	25.4	Very low	98 Å²	98	151.7 Å²	151.7	69%	0.685	79%	0.793	S	S	*	*			trans	42.5	121.2	146.8	66.8	0	0	0	0	123.4
58	S	24.3	Very low	26.4	Very low	105 Å²	105	146.3 Å²	146.3	73%	0.734	79%	0.787	S	S	*	*			trans	66.2	123.9	130.5	69.3	0	0	0	0	123
59	K	27.4	Very low	26.5	Very low	213 Å²	213	148.7 Å²	148.7	93%	0.926	79%	0.787	S	S	*	*				-162	175.6	109.2	-106	170.2	-173.3	178.5	0	112.4
60	Q	26.3	Very low	26.6	Very low	159 Å²	159	145.7 Å²	145.7	74%	0.743	78%	0.78	S	S	*	*			trans	-110.1	166.7	-164.5	-78.1	-172.7	-17.2	0	0	114.2
61	R	27.2	Very low	26.6	Very low	198 Å²	198	142.3 Å²	142.3	75%	0.747	77%	0.774	S	S	*	*			trans	72.4	156.9	155.4	-72.1	159.3	-177.6	-115	12.8	116.3
62	E	26.6	Very low	26.7	Very low	147 Å²	147	140.9 Å²	140.9	69%	0.687	77%	0.767	S	S	*	*			cis	-141.3	-174.7	3.3	-146.2	125.9	-126.3	0	0	113.2
63	R	25	Very low	26.8	Very low	230 Å²	230	143.1 Å²	143.1	87%	0.868	76%	0.764	S	S	*	*			trans	-79	174.2	173.8	-65.7	171.2	162.9	171.9	-6.6	110.4
64	V	27.4	Very low	26.9	Very low	115 Å²	115	139.7 Å²	139.7	70%	0.697	75%	0.751	S	S	*	*				-174.4	131.3	76.2	156.7	0	0	0	0	112.3
65	Q	28.6	Very low	26.9	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	76%	0.758	S	S	*	*			trans	44.4	141.6	148.1	-62	167.9	-13.2	0	0	123.4
66	G	25.1	Very low	27	Very low	81 Å²	81	149.2 Å²	149.2	84%	0.835	75%	0.751	S	S	*	*			trans	167.1	84.2	170.5	0	0	0	0	0	113.8
67	K	25.7	Very low	27	Very low	205 Å²	205	149.7 Å²	149.7	89%	0.891	75%	0.749	S	S	*	*			trans	-147	165.7	177.7	-95.9	-168.9	176.1	-172.6	0	108
68	P	46.5	Very low	27	Very low	108 Å²	108	150.6 Å²	150.6	70%	0.701	76%	0.755	S	S	*	*			cis	-124.3	-129.8	-10.3	23.4	4.2	0	0	0	109.1
69	H	27.7	Very low	27.1	Very low	150 Å²	150	151.1 Å²	151.1	69%	0.694	76%	0.759	S	S	*	*			cis	-162	128.5	-7.3	-148.1	-59.7	0	0	0	111.5
70	T	26.1	Very low	27.7	Very low	98 Å²	98	146.1 Å²	146.1	60%	0.601	75%	0.748	S	S	*	*			trans	59.7	164	155.3	37.8	0	0	0	0	120.9
71	Q	25.8	Very low	27.7	Very low	156 Å²	156	149.2 Å²	149.2	73%	0.729	75%	0.753	S	S	*	*			cis	-148.5	144.2	6.5	-134.6	142.6	8.1	0	0	107.9
72	Q	26.2	Very low	27.7	Very low	154 Å²	154	147.9 Å²	147.9	72%	0.72	76%	0.76	S	S	*	*				35.3	137.3	88	-70.6	172.3	-23.8	0	0	114.2
73	Q	26.9	Very low	27.6	Very low	165 Å²	165	143.8 Å²	143.8	77%	0.771	76%	0.757	S	S	*	*			cis	-167.6	-170.3	7.3	-123.3	170.1	-31.1	0	0	107.5
74	A	26.7	Very low	27.7	Very low	69 Å²	69	144.4 Å²	144.4	57%	0.57	76%	0.76	S	S	*	*			cis	-171.7	152.3	-0.1	0	0	0	0	0	111.3
75	W	22.7	Very low	27.7	Very low	223 Å²	223	143.9 Å²	143.9	85%	0.845	76%	0.761	S	S	*	*			trans	64.6	174.1	145.5	-71.4	51.2	0	0	0	118.6
76	H	25.9	Very low	27.8	Very low	141 Å²	141	139 Å²	139	65%	0.653	75%	0.748	S	S	*	*			cis	-154.1	163.1	-49.2	-129	-95.4	0	0	0	109.3
77	D	25.1	Very low	28	Very low	136 Å²	136	141.8 Å²	141.8	73%	0.727	74%	0.744	S	S	*	*			trans	26.1	134.3	162.8	-66.4	-52.2	0	0	0	124.4
78	S	24.3	Very low	28.2	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	74%	0.735	S	S	*	*				170	169.1	109.6	49.7	0	0	0	0	115.4
79	S	25.7	Very low	27.3	Very low	116 Å²	116	141 Å²	141	81%	0.811	74%	0.737	S	S	*	*			trans	-143.7	-178.7	175.3	-64.9	0	0	0	0	107.9
80	P	40.6	Very low	27.4	Very low	107 Å²	107	141.5 Å²	141.5	70%	0.695	74%	0.744	S	S	*	*			cis	-145.2	-152	12.3	36.3	-9.9	0	0	0	115.4
81	R	26.2	Very low	28	Very low	225 Å²	225	141.8 Å²	141.8	85%	0.849	75%	0.748	S	S	*	*			trans	88.2	153.5	163.1	-56.5	-171.4	-176.2	-151.8	0.8	118.3
82	L	26	Very low	28	Very low	169 Å²	169	142 Å²	142	89%	0.885	75%	0.752	S	S	*	*			cis	-173.8	152.6	-33.3	-114.7	167.4	0	0	0	111.7
83	G	24.8	Very low	28	Very low	62 Å²	62	138 Å²	138	64%	0.639	75%	0.751	S	S	*	*			trans	141.8	112.1	163.9	0	0	0	0	0	115.9
84	R	27.6	Very low	28	Very low	243 Å²	243	140.3 Å²	140.3	92%	0.917	75%	0.753	S	S	*	*				59.9	117	94.1	-71.4	-174.2	172.3	-176.3	-3.1	115.4
85	S	27.3	Very low	27.9	Very low	104 Å²	104	144.3 Å²	144.3	73%	0.727	76%	0.76	S	S	*	*			cis	92.7	153.8	36.7	82.7	0	0	0	0	114.2
86	S	29.9	Very low	28	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	75%	0.748	S	S	*	*			cis	-164.2	165	17.3	-19.1	0	0	0	0	114.1
87	N	30.3	Very low	27.9	Very low	138 Å²	138	138 Å²	138	74%	0.738	75%	0.753	S	S	*	*			trans	69	166	149.3	-69.9	53.1	0	0	0	121.9
88	E	29.9	Very low	27.9	Very low	153 Å²	153	139.5 Å²	139.5	72%	0.715	76%	0.756	S	S	*	*			cis	-178.7	176.5	-35.6	-150.2	178.7	-170.3	0	0	112.4
89	I	28.3	Very low	28	Very low	144 Å²	144	138.4 Å²	138.4	74%	0.738	75%	0.754	S	S	*	*			trans	84.1	158.4	154.3	-66.8	162	0	0	0	121.3
90	L	28.1	Very low	27.9	Very low	161 Å²	161	137.7 Å²	137.7	84%	0.843	75%	0.749	S	S	*	*			trans	-125.6	-138.2	-173.3	-59.9	171.4	0	0	0	109.6
91	P	40.2	Very low	27.2	Very low	104 Å²	104	139.8 Å²	139.8	68%	0.675	75%	0.754	S	S	*	*			cis	-138.9	-162	-19.3	30.9	-4.2	0	0	0	115.5
92	I	26.2	Very low	27.1	Very low	161 Å²	161	135.7 Å²	135.7	83%	0.826	75%	0.749	S	S	*	*			trans	79.6	141.2	163.4	-46	176.9	0	0	0	117
93	G	25.2	Very low	27	Very low	68 Å²	68	135.8 Å²	135.8	70%	0.701	75%	0.745	S	S	*	*			cis	154	168.6	-12.9	0	0	0	0	0	116.4
94	R	26.1	Very low	27.4	Very low	215 Å²	215	138.6 Å²	138.6	81%	0.811	75%	0.752	S	S	*	*			trans	81.2	130.4	161.4	-77.5	178.6	164.7	-148.6	6.3	123.8
95	Q	25.8	Very low	27.3	Very low	153 Å²	153	130.9 Å²	130.9	72%	0.715	75%	0.748	S	S	*	*			trans	71.2	150.5	135.1	-69.5	176.8	-67.3	0	0	120.3
96	S	24.5	Very low	27.2	Very low	83 Å²	83	135.3 Å²	135.3	58%	0.58	76%	0.757	S	S	*	*			cis	-177.9	158.1	-14	53	0	0	0	0	113.5
97	L	24.6	Very low	27	Very low	147 Å²	147	136.5 Å²	136.5	77%	0.77	77%	0.766	S	S	*	*			trans	66.5	163.2	155.7	-63.2	157.1	0	0	0	118.6
98	E	24.5	Very low	26.7	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	77%	0.766	S	S	*	*			cis	-170.7	151.5	-36.3	-165.1	165.7	-117.8	0	0	111.1
99	A	25.4	Very low	26.5	Very low	96 Å²	96	137.9 Å²	137.9	79%	0.793	77%	0.767	S	S	*	*			trans	58.9	171.5	167.2	0	0	0	0	0	118
100	S	25.4	Very low	26.3	Very low	100 Å²	100	140.8 Å²	140.8	70%	0.699	77%	0.769	S	S	*	*			cis	-156.6	158.1	-1.4	53.9	0	0	0	0	111.5
101	L	24.1	Very low	26.2	Very low	151 Å²	151	141.6 Å²	141.6	79%	0.791	77%	0.768	S	S	*	*			trans	18.4	145.7	141.4	-59.2	159.1	0	0	0	119.8
102	D	25.8	Very low	25.4	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	78%	0.776	S	S	*	*			cis	-166.4	-167.5	36.3	-139.1	-40.8	0	0	0	114.2
103	Q	23.7	Very low	25.6	Very low	170 Å²	170	146.5 Å²	146.5	79%	0.794	78%	0.778	S	S	*	*			trans	-95.6	-158.1	-174.5	-59.2	-168.8	14.7	0	0	115.8
104	P	33.3	Very low	25.7	Very low	122 Å²	122	149 Å²	149	79%	0.792	78%	0.782	S	S	*	*				-123.6	170	-80.3	36.3	-21.3	0	0	0	115
105	G	25.5	Very low	25.7	Very low	81 Å²	81	147.4 Å²	147.4	84%	0.835	78%	0.783	S	S	*	*			trans	-160.3	139	169	0	0	0	0	0	114.3
106	Q	24.5	Very low	26	Very low	196 Å²	196	151.8 Å²	151.8	92%	0.916	79%	0.793	S	S	*	*			trans	-109.1	133.6	-179.6	-64.4	179.3	-8.7	0	0	112.1
107	S	25.1	Very low	26.1	Very low	116 Å²	116	157.4 Å²	157.4	81%	0.811	81%	0.807	S	S	*	*				-179.2	139.4	128.4	44	0	0	0	0	114.3
108	Q	24.2	Very low	26.3	Very low	160 Å²	160	159.5 Å²	159.5	75%	0.748	81%	0.813	S	S	*	*			trans	3.1	133.3	152.2	-48.4	175.1	5	0	0	117.8
109	H	26.9	Very low	26.3	Very low	160 Å²	160	156.2 Å²	156.2	74%	0.741	82%	0.815	S	S	*	*				-168.3	152.2	62	-92.5	-71.8	0	0	0	116.2
110	R	22.8	Very low	26.5	Very low	205 Å²	205	158.1 Å²	158.1	77%	0.774	82%	0.817	S	S	*	*			trans	37.5	126.8	145.5	-85.8	-176.2	146.6	150.8	0.7	123.9
111	H	25.8	Very low	26.6	Very low	178 Å²	178	159.4 Å²	159.4	82%	0.824	82%	0.82	S	S	*	*			trans	61.3	115	142.6	-53.8	-48.7	0	0	0	118.4
112	Q	24.1	Very low	26.9	Very low	180 Å²	180	157.5 Å²	157.5	84%	0.841	82%	0.817	S	S	*	*				-159	-166	65.3	-82.8	-173.4	-3.6	0	0	113
113	H	31.5	Very low	27.3	Very low	187 Å²	187	156.8 Å²	156.8	87%	0.866	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62	135.2	-169.9	-65.3	-86.8	0	0	0	116
114	P	26.2	Very low	27.9	Very low	120 Å²	120	155.9 Å²	155.9	78%	0.779	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-96.8	140	161.2	34.7	-30.1	0	0	0	112.6
115	H	26.8	Very low	28.1	Very low	183 Å²	183	158.9 Å²	158.9	85%	0.847	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.9	139.5	168.2	-83.6	-98.5	0	0	0	112.1	K117	H115-K117 PolarHBondContact O-N 3.28Å
116	R	31.6	Very low	29.3	Very low	244 Å²	244	157.2 Å²	157.2	92%	0.921	80%	0.795	S	S	*	*			trans	25.1	94.7	140.5	-168.8	-175.8	-170.9	179.6	2.7	116.7
117	K	25.8	Very low	30.2	Very low	202 Å²	202	152.6 Å²	152.6	88%	0.878	78%	0.784	S	S	*	*			trans	-110.2	151	150.2	-79.4	-173	174.8	-177.1	0	110	H115	H115-K117 PolarHBondContact O-N 3.28Å
118	Q	28.6	Very low	31.5	Very low	190 Å²	190	151 Å²	151	89%	0.888	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-71.1	132.9	177.3	-70	149	-67.3	0	0	109.7
119	A	25.7	Very low	32.9	Very low	100 Å²	100	149 Å²	149	83%	0.826	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-76.2	120.9	164.4	0	0	0	0	0	108.3
120	T	28.9	Very low	34.5	Very low	135 Å²	135	147.7 Å²	147.7	83%	0.828	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-67.4	137.6	167.4	31.7	0	0	0	0	109.7
121	T	28.3	Very low	36.6	Very low	127 Å²	127	143.4 Å²	143.4	78%	0.779	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-62	132.7	174.5	-43.7	0	0	0	0	109.5	T123	T121-T123 PolarHBondContact O-N 2.8Å
122	P	29.7	Very low	38.7	Very low	111 Å²	111	137.1 Å²	137.1	72%	0.721	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-65.3	125.4	173	27.1	-33.5	0	0	0	109.7	L124	P122-L124 PolarHBondContact O-N 3.32Å
123	T	34.8	Very low	41.4	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-67.1	117.7	166.6	39.6	0	0	0	0	108.8	T121 E125	T121-T123 PolarHBondContact O-N 2.8Å; T123-E125 PolarHBondContact O-N 3.24Å
124	L	36.3	Very low	44.3	Very low	151 Å²	151	127.8 Å²	127.8	79%	0.791	68%	0.682	S	S	*	*			trans	-68.5	102.5	171.7	-74.5	164.7	0	0	0	108.6	P122 V126	P122-L124 PolarHBondContact O-N 3.32Å; L124-V126 PolarHBondContact O-N 3.47Å
125	E	37.8	Very low	47.4	Very low	185 Å²	185	129 Å²	129	86%	0.864	68%	0.677	S	S	*	*			trans	-67.1	95.3	173.2	-68.9	-172.5	160.8	0	0	109.8	T123 S127	T123-E125 PolarHBondContact O-N 3.24Å; E125-S127 PolarHBondContact O-N 2.96Å; E125-S127 VanDerWaalsContact O-N 3.13Å
126	V	50.2	Low	50.7	Low	46 Å²	46	121.5 Å²	121.5	28%	0.279	64%	0.644	S	S	.	*			trans	-67.8	108.1	167.7	179.8	0	0	0	0	107.2	L124 Y128	L124-V126 PolarHBondContact O-N 3.47Å; V126-Y128 HydrophobicContact CB-CE1 4.47Å; V126-Y128 HydrophobicContact CB-CE2 3.88Å; V126-Y128 HydrophobicContact CG1-CD1 4.2Å; V126-Y128 HydrophobicContact CG1-CD2 4.4Å; V126-Y128 HydrophobicContact CG1-CE1 3.72Å; V126-Y128 HydrophobicContact CG1-CE2 3.94Å; V126-Y128 WeakPolarHBondContact O-CD2 3.42Å; V126-Y128 WeakPolarHBondContact O-CE2 3.34Å; V126-Y128 PolarHBondContact O-N 3.36Å
127	S	43.6	Very low	53.6	Low	100 Å²	100	113.2 Å²	113.2	70%	0.699	62%	0.623	S	S	*	*			trans	-70.3	119.1	172.7	-177.8	0	0	0	0	109.7	E125	E125-S127 PolarHBondContact O-N 2.96Å; E125-S127 VanDerWaalsContact O-N 3.13Å
128	Y	52.7	Low	57	Low	81 Å²	81	104.5 Å²	104.5	32%	0.318	59%	0.59	S	S	.	*			trans	-109.4	138.6	174	-52.1	-91.5	0	0	0	109.6	V126 Q130 L145	V126-Y128 HydrophobicContact CB-CE1 4.47Å; V126-Y128 HydrophobicContact CB-CE2 3.88Å; V126-Y128 HydrophobicContact CG1-CD1 4.2Å; V126-Y128 HydrophobicContact CG1-CD2 4.4Å; V126-Y128 HydrophobicContact CG1-CE1 3.72Å; V126-Y128 HydrophobicContact CG1-CE2 3.94Å; V126-Y128 WeakPolarHBondContact O-CD2 3.42Å; V126-Y128 WeakPolarHBondContact O-CE2 3.34Å; V126-Y128 PolarHBondContact O-N 3.36Å; Y128-Q130 WeakPolarHBondContact CB-O 3.37Å; Y128-Q130 PolarHBondContact O-N 3.42Å; Y128-L145 HydrophobicContact CE1-CD2 4.49Å
129	D	53.8	Low	60.2	Low	118 Å²	118	102.8 Å²	102.8	63%	0.631	58%	0.58	S	S	*	*	S	Bend	trans	-75.1	-16.7	175	-53.1	-62.8	0	0	0	112.7	K151	D129-K151 IonicContact OD1-NZ 3.73Å; D129-K151 PolarHBondContact OD1-NZ 3.49Å; D129-K151 VanDerWaalsContact OD2-CD 3.29Å; D129-K151 WeakPolarHBondContact OD2-CD 3.32Å; D129-K151 VanDerWaalsContact OD2-CE 3.28Å; D129-K151 WeakPolarHBondContact OD2-CE 3.47Å; D129-K151 IonicContact OD2-NZ 2.69Å; D129-K151 PolarHBondContact OD2-NZ 3.08Å
130	Q	59.8	Low	63.7	Low	134 Å²	134	100.2 Å²	100.2	63%	0.626	55%	0.551	S	S	*	*	S	Bend	trans	-136.9	135.4	165.3	-68.8	-176.9	-18.6	0	0	108.2	Y128	Y128-Q130 WeakPolarHBondContact CB-O 3.37Å; Y128-Q130 PolarHBondContact O-N 3.42Å
131	P	66.6	Low	67	Low	114 Å²	114	93.8 Å²	93.8	74%	0.74	51%	0.511	S	S	*	.			trans	-62	146.8	176.7	27.3	-34.5	0	0	0	110.8
132	P	70.4	Confident	70.3	Confident	46 Å²	46	91.8 Å²	91.8	30%	0.299	50%	0.495	S	S	.	.			trans	-61.6	142.7	176.8	27.4	-35	0	0	0	110.6	C134 I136 A158	P132-C134 PolarHBondContact O-N 2.92Å; P132-C134 VanDerWaalsContact O-N 3.08Å; P132-I136 HydrophobicContact CB-CD1 3.88Å; P132-I136 HydrophobicContact CB-CG1 4.29Å; P132-I136 HydrophobicContact CG-CD1 4.4Å; P132-A158 HydrophobicContact CB-CB 4.21Å
133	Q	80.6	Confident	73.5	Confident	149 Å²	149	89 Å²	89	70%	0.696	48%	0.478	S	S	*	.	S	Bend	trans	-63.1	-17.5	-175.5	-67.9	175.4	-10.9	0	0	113.5
134	C	91.4	Very high	76.5	Confident	22 Å²	22	83 Å²	83	15%	0.149	44%	0.441	C	S	.	.	S	Bend	trans	-144	164.1	176.5	81	0	0	0	0	111.2	P132 I136 C162	P132-C134 PolarHBondContact O-N 2.92Å; P132-C134 VanDerWaalsContact O-N 3.08Å; C134-I136 PolarHBondContact O-N 3.3Å; C134-C162 VanDerWaalsContact CA-SG 3.58Å; C134-C162 HydrophobicContact CB-CB 3.76Å; C134-C162 WeakPolarHBondContact CB-SG 3.4Å; C134-C162 PolarHBondContact N-SG 3.21Å; C134-C162 WeakPolarHBondContact SG-CA 3.5Å; C134-C162 WeakPolarHBondContact SG-CB 3.24Å; C134-C162 CovalentContact SG-SG 2.04Å; C134-C162 PolarHBondContact SG-SG 3.21Å
135	E	92.4	Very high	79.4	Confident	145 Å²	145	76.2 Å²	76.2	68%	0.678	41%	0.406	S	S	*	.			trans	-65.4	124.8	169	-174.9	-162.3	-171.8	0	0	111.5	K165	E135-K165 PolarHBondContact O-NZ 3.33Å
136	I	94.6	Very high	82.2	Confident	27 Å²	27	71 Å²	71	14%	0.138	39%	0.39	C	S	.	.			trans	-97.9	99.6	-179.7	-52.3	-178.7	0	0	0	110.1	P132 C134 A141 I142 L145 A158 Y161	P132-I136 HydrophobicContact CB-CD1 3.88Å; P132-I136 HydrophobicContact CB-CG1 4.29Å; P132-I136 HydrophobicContact CG-CD1 4.4Å; C134-I136 PolarHBondContact O-N 3.3Å; I136-A141 HydrophobicContact CG2-CB 3.79Å; I136-I142 HydrophobicContact CG2-CG1 4.32Å; I136-L145 HydrophobicContact CD1-CD1 3.75Å; I136-L145 HydrophobicContact CG2-CD1 4.06Å; I136-A158 HydrophobicContact CD1-CB 3.62Å; I136-Y161 HydrophobicContact CB-CD1 4.25Å; I136-Y161 HydrophobicContact CB-CE1 4.14Å; I136-Y161 HydrophobicContact CG1-CD1 3.95Å; I136-Y161 HydrophobicContact CG1-CE1 4.21Å; I136-Y161 HydrophobicContact CG2-CD1 3.9Å; I136-Y161 HydrophobicContact CG2-CE1 3.91Å; I136-Y161 HydrophobicContact CG2-CG 4.3Å
137	S	94	Very high	84.5	Confident	70 Å²	70	73.1 Å²	73.1	49%	0.49	39%	0.393	S	S	.	.			trans	-110.3	-5.5	-177.3	57.3	0	0	0	0	114.5	Y161	S137-Y161 PolarHBondContact N-OH 2.85Å
138	G	95.8	Very high	87	Confident	18 Å²	18	68.6 Å²	68.6	19%	0.186	36%	0.361	C	S	.	.			trans	-72.2	124.8	177.5	0	0	0	0	0	112.7	E140 A141 I142 Y161	G138-E140 VanDerWaalsContact C-N 3.3Å; G138-E140 PolarHBondContact O-N 2.96Å; G138-A141 PolarHBondContact O-N 3.27Å; G138-I142 VanDerWaalsContact O-CG1 3.32Å; G138-I142 WeakPolarHBondContact O-CG1 3.45Å; G138-I142 PolarHBondContact O-N 2.86Å; G138-Y161 PolarHBondContact N-OH 2.81Å; G138-Y161 VanDerWaalsContact N-OH 3.16Å
139	K	97.8	Very high	89.1	Confident	155 Å²	155	73.4 Å²	73.4	67%	0.674	38%	0.384	S	S	*	.	H	α-helix	trans	-57.6	-42.2	-178.3	-64.7	179.7	-178.5	175.9	0	112.4	I142 S143	K139-I142 PolarHBondContact O-N 3.38Å; K139-S143 VanDerWaalsContact O-CB 3.26Å; K139-S143 WeakPolarHBondContact O-CB 3.4Å; K139-S143 PolarHBondContact O-N 2.96Å
140	E	97.9	Very high	91.1	Very high	46 Å²	46	69.2 Å²	69.2	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-53.7	-57.8	172.6	-83.2	63.4	-154.4	0	0	111.7	G138 I142 S143 A144 R354 L355	G138-E140 VanDerWaalsContact C-N 3.3Å; G138-E140 PolarHBondContact O-N 2.96Å; E140-I142 PolarHBondContact O-N 2.99Å; E140-S143 CarbonylContact O-C 3.58Å; E140-S143 WeakPolarHBondContact O-CB 3.42Å; E140-S143 PolarHBondContact O-N 3.02Å; E140-S143 VanDerWaalsContact O-N 3.15Å; E140-A144 PolarHBondContact O-N 3.02Å; E140-R354 WeakPolarHBondContact CB-O 3.28Å; E140-R354 HydrophobicContact CG-CG 4.3Å; E140-R354 IonicContact OE1-CZ 2.71Å; E140-R354 IonicContact OE1-NE 2.83Å; E140-R354 IonicContact OE1-NH2 3.3Å; E140-R354 PolarHBondContact OE1-NH2 2.9Å; E140-L355 VanDerWaalsContact CB-C 3.44Å; E140-L355 WeakPolarHBondContact CB-O 3.25Å
141	A	97.6	Very high	92.8	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.5	-41.7	179.8	0	0	0	0	0	112.6	I136 G138 S143 A144 L145 Y161	I136-A141 HydrophobicContact CG2-CB 3.79Å; G138-A141 PolarHBondContact O-N 3.27Å; A141-S143 VanDerWaalsContact C-N 3.33Å; A141-S143 PolarHBondContact O-N 3.44Å; A141-A144 PolarHBondContact O-N 3.27Å; A141-L145 WeakPolarHBondContact O-CB 3.41Å; A141-L145 VanDerWaalsContact O-CG 3.25Å; A141-L145 WeakPolarHBondContact O-CG 3.47Å; A141-L145 PolarHBondContact O-N 2.6Å; A141-Y161 HydrophobicContact CB-CD2 3.56Å; A141-Y161 HydrophobicContact CB-CE2 4.05Å; A141-Y161 HydrophobicContact CB-CG 4.01Å
142	I	97.7	Very high	94.2	Very high	84 Å²	84	67.5 Å²	67.5	43%	0.431	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-40.2	175.1	-64.4	163.6	0	0	0	111	I136 G138 K139 E140 S146	I136-I142 HydrophobicContact CG2-CG1 4.32Å; G138-I142 VanDerWaalsContact O-CG1 3.32Å; G138-I142 WeakPolarHBondContact O-CG1 3.45Å; G138-I142 PolarHBondContact O-N 2.86Å; K139-I142 PolarHBondContact O-N 3.38Å; E140-I142 PolarHBondContact O-N 2.99Å; I142-S146 WeakPolarHBondContact O-CB 3.32Å; I142-S146 PolarHBondContact O-N 3.15Å; I142-S146 VanDerWaalsContact O-N 3.1Å; I142-S146 PolarHBondContact O-OG 3.38Å
143	S	97.8	Very high	95.5	Very high	52 Å²	52	65.4 Å²	65.4	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-65.8	-37.6	174.5	177.3	0	0	0	0	112.1	K139 E140 A141 S146 R147	K139-S143 VanDerWaalsContact O-CB 3.26Å; K139-S143 WeakPolarHBondContact O-CB 3.4Å; K139-S143 PolarHBondContact O-N 2.96Å; E140-S143 CarbonylContact O-C 3.58Å; E140-S143 WeakPolarHBondContact O-CB 3.42Å; E140-S143 PolarHBondContact O-N 3.02Å; E140-S143 VanDerWaalsContact O-N 3.15Å; A141-S143 VanDerWaalsContact C-N 3.33Å; A141-S143 PolarHBondContact O-N 3.44Å; S143-S146 PolarHBondContact O-OG 3.1Å; S143-R147 WeakPolarHBondContact O-CG 3.38Å; S143-R147 PolarHBondContact O-NE 2.95Å; S143-R147 PolarHBondContact OG-NE 3.48Å; S143-R147 PolarHBondContact OG-NH2 2.9Å
144	A	97.9	Very high	96.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68	-49	174.4	0	0	0	0	0	111.5	E140 A141 S146 R147 A148 I157 W353 L355	E140-A144 PolarHBondContact O-N 3.02Å; A141-A144 PolarHBondContact O-N 3.27Å; A144-S146 VanDerWaalsContact C-N 3.3Å; A144-S146 PolarHBondContact O-N 3.33Å; A144-R147 PolarHBondContact O-N 2.83Å; A144-A148 WeakPolarHBondContact O-CB 3.29Å; A144-A148 PolarHBondContact O-N 3.17Å; A144-I157 HydrophobicContact CB-CD1 4.12Å; A144-I157 HydrophobicContact CB-CG2 4.25Å; A144-W353 HydrophobicContact CB-CB 4.08Å; A144-W353 HydrophobicContact CB-CD2 4.26Å; A144-W353 HydrophobicContact CB-CE3 3.8Å; A144-W353 HydrophobicContact CB-CG 4.41Å; A144-L355 HydrophobicContact CB-CD2 3.89Å
145	L	97.4	Very high	96.5	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-36.6	179.5	-72.8	167.4	0	0	0	113.6	Y128 I136 A141 R147 R154 I157	Y128-L145 HydrophobicContact CE1-CD2 4.49Å; I136-L145 HydrophobicContact CD1-CD1 3.75Å; I136-L145 HydrophobicContact CG2-CD1 4.06Å; A141-L145 WeakPolarHBondContact O-CB 3.41Å; A141-L145 VanDerWaalsContact O-CG 3.25Å; A141-L145 WeakPolarHBondContact O-CG 3.47Å; A141-L145 PolarHBondContact O-N 2.6Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R154 HydrophobicContact CD2-CB 3.95Å; L145-R154 HydrophobicContact CD2-CG 4.24Å; L145-R154 WeakPolarHBondContact CD2-O 3.46Å; L145-R154 VanDerWaalsContact O-CD 3.23Å; L145-R154 WeakPolarHBondContact O-CD 3.3Å; L145-I157 HydrophobicContact CD2-CB 4.03Å; L145-I157 HydrophobicContact CD2-CG2 3.72Å; L145-I157 HydrophobicContact CG-CG2 3.76Å
146	S	97.1	Very high	96.7	Very high	76 Å²	76	61.3 Å²	61.3	53%	0.531	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.8	177.7	51.7	0	0	0	0	114.5	I142 S143 A144	I142-S146 WeakPolarHBondContact O-CB 3.32Å; I142-S146 PolarHBondContact O-N 3.15Å; I142-S146 VanDerWaalsContact O-N 3.1Å; I142-S146 PolarHBondContact O-OG 3.38Å; S143-S146 PolarHBondContact O-OG 3.1Å; A144-S146 VanDerWaalsContact C-N 3.3Å; A144-S146 PolarHBondContact O-N 3.33Å
147	R	97.3	Very high	96.9	Very high	90 Å²	90	60 Å²	60	34%	0.34	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-25.9	179.3	-70.3	-179	-63.7	131.6	-0.4	114.1	S143 A144 L145 W353 D447	S143-R147 WeakPolarHBondContact O-CG 3.38Å; S143-R147 PolarHBondContact O-NE 2.95Å; S143-R147 PolarHBondContact OG-NE 3.48Å; S143-R147 PolarHBondContact OG-NH2 2.9Å; A144-R147 PolarHBondContact O-N 2.83Å; L145-R147 VanDerWaalsContact C-N 3.31Å; R147-W353 HydrophobicContact CB-CH2 3.94Å; R147-W353 HydrophobicContact CB-CZ3 3.6Å; R147-D447 IonicContact CZ-OD1 3.47Å; R147-D447 IonicContact CZ-OD2 2.66Å; R147-D447 IonicContact NH1-OD1 2.77Å; R147-D447 PolarHBondContact NH1-OD1 2.79Å; R147-D447 IonicContact NH1-OD2 3.54Å; R147-D447 VanDerWaalsContact NH2-CG 3.34Å; R147-D447 IonicContact NH2-OD1 3.32Å; R147-D447 PolarHBondContact NH2-OD1 2.94Å; R147-D447 VanDerWaalsContact NH2-OD1 3.15Å; R147-D447 IonicContact NH2-OD2 3.96Å; R147-D447 PolarHBondContact NH2-OD2 3Å
148	A	96.6	Very high	97	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.041	28%	0.279	C	S	.	.			trans	-62.5	138.3	176.4	0	0	0	0	0	110.9	A144 C153 R154 I157 W353	A144-A148 WeakPolarHBondContact O-CB 3.29Å; A144-A148 PolarHBondContact O-N 3.17Å; A148-C153 HydrophobicContact CB-CB 4.42Å; A148-R154 HydrophobicContact CB-CG 3.77Å; A148-R154 PolarHBondContact O-NH1 3.04Å; A148-I157 HydrophobicContact CB-CD1 3.8Å; A148-W353 HydrophobicContact CB-CH2 4.12Å; A148-W353 HydrophobicContact CB-CZ2 3.9Å
149	K	95.9	Very high	97.1	Very high	183 Å²	183	59.8 Å²	59.8	80%	0.796	29%	0.288	S	S	*	.			trans	-94.3	-49.6	-165.9	-62.5	175.4	-178.7	173.1	0	111.6	R154 D349	K149-R154 VanDerWaalsContact C-NH1 3.31Å; K149-R154 PolarHBondContact O-NH1 2.64Å; K149-D349 WeakPolarHBondContact CA-OD2 3.28Å; K149-D349 WeakPolarHBondContact CB-OD2 3.37Å; K149-D349 PolarHBondContact N-OD2 2.71Å
150	S	96.9	Very high	97.1	Very high	30 Å²	30	52.5 Å²	52.5	21%	0.21	26%	0.256	C	S	.	.	S	Bend	trans	-73.2	157.9	178.1	72.7	0	0	0	0	111.9	E152 C153 R154 D349	S150-E152 VanDerWaalsContact C-N 3.31Å; S150-E152 VanDerWaalsContact CB-OE2 3.29Å; S150-E152 WeakPolarHBondContact CB-OE2 3.28Å; S150-C153 WeakPolarHBondContact OG-CB 3.05Å; S150-C153 PolarHBondContact OG-N 2.96Å; S150-R154 PolarHBondContact O-NH1 2.9Å; S150-R154 PolarHBondContact O-NH2 3.09Å; S150-D349 VanDerWaalsContact CB-OD1 3.26Å; S150-D349 WeakPolarHBondContact CB-OD1 3.33Å; S150-D349 PolarHBondContact N-OD2 3.35Å; S150-D349 PolarHBondContact OG-OD1 2.72Å; S150-D349 PolarHBondContact OG-OD2 2.98Å
151	K	94.4	Very high	97.1	Very high	95 Å²	95	51.7 Å²	51.7	41%	0.413	25%	0.252	S	S	.	.	H	α-helix	trans	-71.3	-37.1	173.3	-80.2	179.6	153.4	-161.6	0	110.2	D129 R154 Q155	D129-K151 IonicContact OD1-NZ 3.73Å; D129-K151 PolarHBondContact OD1-NZ 3.49Å; D129-K151 VanDerWaalsContact OD2-CD 3.29Å; D129-K151 WeakPolarHBondContact OD2-CD 3.32Å; D129-K151 VanDerWaalsContact OD2-CE 3.28Å; D129-K151 WeakPolarHBondContact OD2-CE 3.47Å; D129-K151 IonicContact OD2-NZ 2.69Å; D129-K151 PolarHBondContact OD2-NZ 3.08Å; K151-R154 WeakPolarHBondContact O-CB 3.33Å; K151-R154 PolarHBondContact O-N 3.07Å; K151-Q155 PolarHBondContact O-N 2.84Å
152	E	96.4	Very high	97.1	Very high	117 Å²	117	51.7 Å²	51.7	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-50.1	-178	-60.9	71.5	-163.2	0	0	110.6	S150 R154 Q155 Q156	S150-E152 VanDerWaalsContact C-N 3.31Å; S150-E152 VanDerWaalsContact CB-OE2 3.29Å; S150-E152 WeakPolarHBondContact CB-OE2 3.28Å; E152-R154 PolarHBondContact O-N 3.21Å; E152-Q155 PolarHBondContact O-N 3.22Å; E152-Q156 VanDerWaalsContact O-CG 3.27Å; E152-Q156 WeakPolarHBondContact O-CG 3.35Å; E152-Q156 PolarHBondContact O-N 3.3Å
153	C	97.4	Very high	97.1	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-38.1	175.8	-177.4	0	0	0	0	111.7	A148 S150 Q156 I157 C348 D349 W353	A148-C153 HydrophobicContact CB-CB 4.42Å; S150-C153 WeakPolarHBondContact OG-CB 3.05Å; S150-C153 PolarHBondContact OG-N 2.96Å; C153-Q156 PolarHBondContact O-N 3.25Å; C153-I157 WeakPolarHBondContact O-CB 3.34Å; C153-I157 WeakPolarHBondContact O-CD1 3.23Å; C153-I157 WeakPolarHBondContact O-CG1 3.36Å; C153-I157 PolarHBondContact O-N 2.82Å; C153-C348 WeakPolarHBondContact CA-SG 3.1Å; C153-C348 HydrophobicContact CB-CB 3.63Å; C153-C348 WeakPolarHBondContact CB-SG 3.46Å; C153-C348 VanDerWaalsContact SG-C 3.57Å; C153-C348 WeakPolarHBondContact SG-CB 3.26Å; C153-C348 CovalentContact SG-SG 2.04Å; C153-C348 PolarHBondContact SG-SG 3.25Å; C153-D349 HydrophobicContact CB-CB 4.44Å; C153-D349 WeakPolarHBondContact CB-OD1 3.48Å; C153-W353 PolarHBondContact SG-NE1 3.08Å
154	R	97	Very high	97.1	Very high	50 Å²	50	50.9 Å²	50.9	19%	0.189	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-42.5	173.4	-72.7	-172.9	-65.1	-87.3	-4.3	112.4	L145 A148 K149 S150 K151 E152 I157 A158	L145-R154 HydrophobicContact CD2-CB 3.95Å; L145-R154 HydrophobicContact CD2-CG 4.24Å; L145-R154 WeakPolarHBondContact CD2-O 3.46Å; L145-R154 VanDerWaalsContact O-CD 3.23Å; L145-R154 WeakPolarHBondContact O-CD 3.3Å; A148-R154 HydrophobicContact CB-CG 3.77Å; A148-R154 PolarHBondContact O-NH1 3.04Å; K149-R154 VanDerWaalsContact C-NH1 3.31Å; K149-R154 PolarHBondContact O-NH1 2.64Å; S150-R154 PolarHBondContact O-NH1 2.9Å; S150-R154 PolarHBondContact O-NH2 3.09Å; K151-R154 WeakPolarHBondContact O-CB 3.33Å; K151-R154 PolarHBondContact O-N 3.07Å; E152-R154 PolarHBondContact O-N 3.21Å; R154-I157 PolarHBondContact O-N 3.09Å; R154-A158 PolarHBondContact O-N 2.61Å; R154-A158 VanDerWaalsContact O-N 3.11Å
155	Q	95.9	Very high	97	Very high	109 Å²	109	55.7 Å²	55.7	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-64.5	-43.4	176.5	-171.8	175.9	11.7	0	0	111.7	K151 E152 A158 E159	K151-Q155 PolarHBondContact O-N 2.84Å; E152-Q155 PolarHBondContact O-N 3.22Å; Q155-A158 WeakPolarHBondContact O-CB 3.32Å; Q155-A158 PolarHBondContact O-N 3.07Å; Q155-E159 PolarHBondContact O-N 3.11Å
156	Q	97.4	Very high	96.9	Very high	71 Å²	71	59.9 Å²	59.9	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-42.9	177.1	-70.2	167.3	-18.3	0	0	112.3	E152 C153 A158 E159 V160 Y346	E152-Q156 VanDerWaalsContact O-CG 3.27Å; E152-Q156 WeakPolarHBondContact O-CG 3.35Å; E152-Q156 PolarHBondContact O-N 3.3Å; C153-Q156 PolarHBondContact O-N 3.25Å; Q156-A158 VanDerWaalsContact C-N 3.28Å; Q156-A158 PolarHBondContact O-N 2.82Å; Q156-E159 PolarHBondContact O-N 3.39Å; Q156-V160 WeakPolarHBondContact O-CB 3.36Å; Q156-V160 VanDerWaalsContact O-CG2 3.24Å; Q156-V160 WeakPolarHBondContact O-CG2 3.37Å; Q156-V160 PolarHBondContact O-N 3.28Å; Q156-Y346 HydrophobicContact CB-CD1 4.45Å; Q156-Y346 HydrophobicContact CB-CE1 3.49Å; Q156-Y346 VanDerWaalsContact CB-CE1 3.49Å; Q156-Y346 HydrophobicContact CG-CE1 4.34Å; Q156-Y346 PolarHBondContact OE1-OH 3.04Å
157	I	97.9	Very high	96.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-43.3	174	-74.3	163.4	0	0	0	110.9	A144 L145 A148 C153 R154 Y161 Y346 W353 L355	A144-I157 HydrophobicContact CB-CD1 4.12Å; A144-I157 HydrophobicContact CB-CG2 4.25Å; L145-I157 HydrophobicContact CD2-CB 4.03Å; L145-I157 HydrophobicContact CD2-CG2 3.72Å; L145-I157 HydrophobicContact CG-CG2 3.76Å; A148-I157 HydrophobicContact CB-CD1 3.8Å; C153-I157 WeakPolarHBondContact O-CB 3.34Å; C153-I157 WeakPolarHBondContact O-CD1 3.23Å; C153-I157 WeakPolarHBondContact O-CG1 3.36Å; C153-I157 PolarHBondContact O-N 2.82Å; R154-I157 PolarHBondContact O-N 3.09Å; I157-Y161 VanDerWaalsContact O-CB 3.32Å; I157-Y161 WeakPolarHBondContact O-CB 3.35Å; I157-Y161 PolarHBondContact O-N 2.88Å; I157-Y346 HydrophobicContact CG1-CD1 4.4Å; I157-W353 HydrophobicContact CD1-CB 4.49Å; I157-W353 HydrophobicContact CD1-CD2 4.13Å; I157-W353 HydrophobicContact CD1-CG 3.94Å; I157-W353 HydrophobicContact CG1-CG 4.5Å; I157-L355 HydrophobicContact CG1-CD2 4.28Å; I157-L355 HydrophobicContact CG2-CD2 3.72Å
158	A	97.4	Very high	96.8	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-47.3	177.3	0	0	0	0	0	112.7	P132 I136 R154 Q155 Q156 Y161 C162	P132-A158 HydrophobicContact CB-CB 4.21Å; I136-A158 HydrophobicContact CD1-CB 3.62Å; R154-A158 PolarHBondContact O-N 2.61Å; R154-A158 VanDerWaalsContact O-N 3.11Å; Q155-A158 WeakPolarHBondContact O-CB 3.32Å; Q155-A158 PolarHBondContact O-N 3.07Å; Q156-A158 VanDerWaalsContact C-N 3.28Å; Q156-A158 PolarHBondContact O-N 2.82Å; A158-Y161 PolarHBondContact O-N 3.38Å; A158-C162 PolarHBondContact O-N 3.16Å; A158-C162 PolarHBondContact O-SG 3.14Å; A158-C162 VanDerWaalsContact O-SG 3.35Å
159	E	96.9	Very high	96.8	Very high	78 Å²	78	59 Å²	59	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-48.9	177.8	-168	-149.1	129.2	0	0	111.5	Q155 Q156 Y161 C162 R163	Q155-E159 PolarHBondContact O-N 3.11Å; Q156-E159 PolarHBondContact O-N 3.39Å; E159-Y161 VanDerWaalsContact C-N 3.35Å; E159-Y161 PolarHBondContact O-N 2.88Å; E159-C162 PolarHBondContact O-N 3.19Å; E159-R163 HydrophobicContact CG-CG 4.43Å; E159-R163 WeakPolarHBondContact O-CB 3.43Å; E159-R163 WeakPolarHBondContact O-CG 3.47Å; E159-R163 PolarHBondContact O-N 3.39Å; E159-R163 WeakPolarHBondContact OE1-CD 3.42Å; E159-R163 IonicContact OE1-CZ 2.79Å; E159-R163 IonicContact OE1-NE 3.29Å; E159-R163 IonicContact OE1-NH1 2.78Å; E159-R163 PolarHBondContact OE1-NH1 3.12Å
160	V	97.8	Very high	96.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-41.1	-178.8	172.6	0	0	0	0	111.1	Q156 H164 L169 L344 Y346 L355 Y400	Q156-V160 WeakPolarHBondContact O-CB 3.36Å; Q156-V160 VanDerWaalsContact O-CG2 3.24Å; Q156-V160 WeakPolarHBondContact O-CG2 3.37Å; Q156-V160 PolarHBondContact O-N 3.28Å; V160-H164 WeakPolarHBondContact O-CB 3.49Å; V160-H164 PolarHBondContact O-N 3.01Å; V160-H164 VanDerWaalsContact O-N 3.14Å; V160-L169 HydrophobicContact CG1-CD2 3.8Å; V160-L344 HydrophobicContact CG1-CD2 4.21Å; V160-Y346 HydrophobicContact CG2-CD2 3.96Å; V160-Y346 HydrophobicContact CG2-CE2 4Å; V160-Y346 HydrophobicContact CG2-CG 4.32Å; V160-L355 HydrophobicContact CB-CD1 4.11Å; V160-L355 HydrophobicContact CG1-CD1 3.66Å; V160-Y400 HydrophobicContact CB-CE1 4.34Å; V160-Y400 HydrophobicContact CG1-CD1 3.75Å; V160-Y400 HydrophobicContact CG1-CE1 3.59Å; V160-Y400 HydrophobicContact CG2-CE1 3.72Å
161	Y	98.1	Very high	96.9	Very high	29 Å²	29	50.5 Å²	50.5	11%	0.114	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-47.6	174.1	174.5	-90.5	0	0	0	112	I136 S137 G138 A141 I157 A158 E159 H164 K165	I136-Y161 HydrophobicContact CB-CD1 4.25Å; I136-Y161 HydrophobicContact CB-CE1 4.14Å; I136-Y161 HydrophobicContact CG1-CD1 3.95Å; I136-Y161 HydrophobicContact CG1-CE1 4.21Å; I136-Y161 HydrophobicContact CG2-CD1 3.9Å; I136-Y161 HydrophobicContact CG2-CE1 3.91Å; I136-Y161 HydrophobicContact CG2-CG 4.3Å; S137-Y161 PolarHBondContact N-OH 2.85Å; G138-Y161 PolarHBondContact N-OH 2.81Å; G138-Y161 VanDerWaalsContact N-OH 3.16Å; A141-Y161 HydrophobicContact CB-CD2 3.56Å; A141-Y161 HydrophobicContact CB-CE2 4.05Å; A141-Y161 HydrophobicContact CB-CG 4.01Å; I157-Y161 VanDerWaalsContact O-CB 3.32Å; I157-Y161 WeakPolarHBondContact O-CB 3.35Å; I157-Y161 PolarHBondContact O-N 2.88Å; A158-Y161 PolarHBondContact O-N 3.38Å; E159-Y161 VanDerWaalsContact C-N 3.35Å; E159-Y161 PolarHBondContact O-N 2.88Å; Y161-H164 PolarHBondContact O-N 3.48Å; Y161-K165 HydrophobicContact CE1-CD 3.98Å; Y161-K165 WeakPolarHBondContact O-CB 3.47Å; Y161-K165 PolarHBondContact O-N 2.98Å
162	C	97.4	Very high	96.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.9	-45.5	-178.2	-69.4	0	0	0	0	112.5	C134 A158 E159 H164 K165 E166	C134-C162 VanDerWaalsContact CA-SG 3.58Å; C134-C162 HydrophobicContact CB-CB 3.76Å; C134-C162 WeakPolarHBondContact CB-SG 3.4Å; C134-C162 PolarHBondContact N-SG 3.21Å; C134-C162 WeakPolarHBondContact SG-CA 3.5Å; C134-C162 WeakPolarHBondContact SG-CB 3.24Å; C134-C162 CovalentContact SG-SG 2.04Å; C134-C162 PolarHBondContact SG-SG 3.21Å; A158-C162 PolarHBondContact O-N 3.16Å; A158-C162 PolarHBondContact O-SG 3.14Å; A158-C162 VanDerWaalsContact O-SG 3.35Å; E159-C162 PolarHBondContact O-N 3.19Å; C162-H164 PolarHBondContact O-N 2.86Å; C162-K165 WeakPolarHBondContact O-CB 3.49Å; C162-K165 PolarHBondContact O-N 3Å; C162-K165 VanDerWaalsContact O-N 3.08Å; C162-E166 WeakPolarHBondContact O-CG 3.43Å; C162-E166 PolarHBondContact O-N 2.8Å
163	R	97.5	Very high	97	Very high	76 Å²	76	47.8 Å²	47.8	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-28.4	176.2	-69.5	176.9	60.6	-158.5	-7.4	112.9	E159 Q168 L169	E159-R163 HydrophobicContact CG-CG 4.43Å; E159-R163 WeakPolarHBondContact O-CB 3.43Å; E159-R163 WeakPolarHBondContact O-CG 3.47Å; E159-R163 PolarHBondContact O-N 3.39Å; E159-R163 WeakPolarHBondContact OE1-CD 3.42Å; E159-R163 IonicContact OE1-CZ 2.79Å; E159-R163 IonicContact OE1-NE 3.29Å; E159-R163 IonicContact OE1-NH1 2.78Å; E159-R163 PolarHBondContact OE1-NH1 3.12Å; R163-Q168 CarbonylContact O-C 3.56Å; R163-Q168 WeakPolarHBondContact O-CA 3.49Å; R163-Q168 PolarHBondContact O-N 2.93Å; R163-L169 HydrophobicContact CB-CB 4.41Å; R163-L169 HydrophobicContact CB-CD1 4.31Å; R163-L169 PolarHBondContact O-N 2.91Å
164	H	97.9	Very high	97	Very high	44 Å²	44	48 Å²	48	20%	0.204	25%	0.246	C	C	.	.	H	α-helix	trans	-75	-43.5	171.1	-173.3	63.4	0	0	0	112.4	V160 Y161 C162 E166 G167 L169 L344 D357	V160-H164 WeakPolarHBondContact O-CB 3.49Å; V160-H164 PolarHBondContact O-N 3.01Å; V160-H164 VanDerWaalsContact O-N 3.14Å; Y161-H164 PolarHBondContact O-N 3.48Å; C162-H164 PolarHBondContact O-N 2.86Å; H164-E166 PolarHBondContact O-N 2.81Å; H164-G167 PolarHBondContact O-N 3.13Å; H164-L169 HydrophobicContact CB-CB 4.06Å; H164-L169 HydrophobicContact CB-CD2 3.93Å; H164-L344 HydrophobicContact CB-CD2 3.8Å; H164-D357 PolarHBondContact NE2-O 3.45Å
165	K	96.2	Very high	97.1	Very high	101 Å²	101	48.5 Å²	48.5	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-57.6	-32.3	175	-173.7	-178.5	-178.8	-172.7	0	112.5	E135 Y161 C162	E135-K165 PolarHBondContact O-NZ 3.33Å; Y161-K165 HydrophobicContact CE1-CD 3.98Å; Y161-K165 WeakPolarHBondContact O-CB 3.47Å; Y161-K165 PolarHBondContact O-N 2.98Å; C162-K165 WeakPolarHBondContact O-CB 3.49Å; C162-K165 PolarHBondContact O-N 3Å; C162-K165 VanDerWaalsContact O-N 3.08Å
166	E	95.9	Very high	97.2	Very high	96 Å²	96	46.1 Å²	46.1	45%	0.449	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.2	177.1	-68.8	170.9	-147	0	0	114.3	C162 H164 Q168	C162-E166 WeakPolarHBondContact O-CG 3.43Å; C162-E166 PolarHBondContact O-N 2.8Å; H164-E166 PolarHBondContact O-N 2.81Å; E166-Q168 HydrophobicContact CB-CG 4.14Å; E166-Q168 PolarHBondContact O-N 3.01Å; E166-Q168 PolarHBondContact OE2-NE2 3.16Å
167	G	95.5	Very high	97.2	Very high	51 Å²	51	47.2 Å²	47.2	53%	0.526	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	8.7	-177.3	0	0	0	0	0	114.8	H164	H164-G167 PolarHBondContact O-N 3.13Å
168	Q	95.5	Very high	97.2	Very high	100 Å²	100	47.7 Å²	47.7	47%	0.467	25%	0.246	S	C	.	.			trans	-92	4.3	-175.1	-62.5	173.7	32.1	0	0	114	R163 E166 R396	R163-Q168 CarbonylContact O-C 3.56Å; R163-Q168 WeakPolarHBondContact O-CA 3.49Å; R163-Q168 PolarHBondContact O-N 2.93Å; E166-Q168 HydrophobicContact CB-CG 4.14Å; E166-Q168 PolarHBondContact O-N 3.01Å; E166-Q168 PolarHBondContact OE2-NE2 3.16Å; Q168-R396 PolarHBondContact O-NH2 3.06Å
169	L	96.8	Very high	97	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.276	C	S	.	.	S	Bend	trans	-107.7	-53.1	-174.8	-163.3	74.9	0	0	0	114.6	V160 R163 H164 L344 R396 Y400	V160-L169 HydrophobicContact CG1-CD2 3.8Å; R163-L169 HydrophobicContact CB-CB 4.41Å; R163-L169 HydrophobicContact CB-CD1 4.31Å; R163-L169 PolarHBondContact O-N 2.91Å; H164-L169 HydrophobicContact CB-CB 4.06Å; H164-L169 HydrophobicContact CB-CD2 3.93Å; L169-L344 HydrophobicContact CD2-CD1 3.86Å; L169-L344 HydrophobicContact CD2-CD2 4.02Å; L169-R396 PolarHBondContact O-NE 3.35Å; L169-Y400 HydrophobicContact CD1-CE1 4.38Å; L169-Y400 HydrophobicContact CD1-CE2 3.91Å; L169-Y400 HydrophobicContact CD2-CD1 4.24Å; L169-Y400 HydrophobicContact CD2-CD2 4.42Å; L169-Y400 HydrophobicContact CD2-CE1 4.29Å; L169-Y400 HydrophobicContact CD2-CE2 4.47Å; L169-Y400 HydrophobicContact CD2-CG 4.31Å; L169-Y400 HydrophobicContact CG-CD2 4.47Å; L169-Y400 HydrophobicContact CG-CE2 4.27Å
170	M	97.9	Very high	96.9	Very high	20 Å²	20	50.9 Å²	50.9	10%	0.099	27%	0.27	C	S	.	.	S	Bend	trans	-99.7	149.6	-175.9	-65.8	-71.1	100.6	0	0	111.5	L344 R358 F397 Y400	M170-L344 HydrophobicContact CE-CD1 4.03Å; M170-L344 HydrophobicContact CG-CD1 4.3Å; M170-L344 HydrophobicContact SD-CD1 4.09Å; M170-R358 HydrophobicContact CG-CB 4.37Å; M170-R358 PolarHBondContact SD-NH1 3.09Å; M170-R358 VanDerWaalsContact SD-NH1 3.41Å; M170-F397 HydrophobicContact SD-CD2 3.72Å; M170-F397 HydrophobicContact SD-CE2 4.25Å; M170-F397 HydrophobicContact SD-CG 4.43Å; M170-Y400 HydrophobicContact CE-CD2 3.61Å; M170-Y400 HydrophobicContact CE-CE2 4.49Å; M170-Y400 HydrophobicContact CE-CG 4Å
171	P	97.2	Very high	96.3	Very high	13 Å²	13	60.2 Å²	60.2	8%	0.084	31%	0.314	C	S	.	.			trans	-78	135.4	170.4	31.7	-32.9	0	0	0	111.3	V174 P361 N393 F397	P171-V174 HydrophobicContact CB-CG2 4.09Å; P171-V174 HydrophobicContact CG-CG2 4.21Å; P171-P361 HydrophobicContact CG-CG 4Å; P171-N393 HydrophobicContact CB-CB 4.05Å; P171-N393 HydrophobicContact CG-CB 4Å; P171-F397 HydrophobicContact CG-CB 4.43Å
172	D	95.5	Very high	95.6	Very high	94 Å²	94	60.8 Å²	60.8	50%	0.503	33%	0.329	S	S	.	.	S	Bend	trans	-79.2	-35.3	174.3	-80.9	-71.5	0	0	0	113	K359 P361 E362	D172-K359 IonicContact OD1-NZ 3.74Å; D172-K359 PolarHBondContact OD1-NZ 3.13Å; D172-P361 CarbonylContact O-C 3.59Å; D172-P361 WeakPolarHBondContact O-CA 3.24Å; D172-E362 PolarHBondContact O-N 3.04Å
173	A	97.6	Very high	95.1	Very high	61 Å²	61	65.6 Å²	65.6	50%	0.504	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-141.8	153.5	179	0	0	0	0	0	110.8	E362	A173-E362 CarbonylContact C-O 3.55Å; A173-E362 WeakPolarHBondContact CA-O 3.48Å; A173-E362 HydrophobicContact CB-CB 4.17Å
174	V	98.4	Very high	94.5	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.042	35%	0.347	C	S	.	.			trans	-143	143.5	-178.1	179.6	0	0	0	0	110.6	P171 P361 E362 G363 I364 L390 N393 M394	P171-V174 HydrophobicContact CB-CG2 4.09Å; P171-V174 HydrophobicContact CG-CG2 4.21Å; V174-P361 HydrophobicContact CG2-CB 3.84Å; V174-P361 HydrophobicContact CG2-CG 4.44Å; V174-E362 PolarHBondContact N-O 3.3Å; V174-G363 CarbonylContact O-C 3.57Å; V174-I364 HydrophobicContact CB-CD1 4.25Å; V174-I364 HydrophobicContact CB-CG1 4.44Å; V174-I364 HydrophobicContact CB-CG2 3.88Å; V174-I364 HydrophobicContact CG1-CG2 3.85Å; V174-L390 HydrophobicContact CG1-CB 4.3Å; V174-L390 HydrophobicContact CG1-CD1 3.88Å; V174-N393 HydrophobicContact CG1-CB 4.34Å; V174-N393 HydrophobicContact CG2-CB 3.65Å; V174-M394 HydrophobicContact CG1-CE 4.47Å; V174-M394 HydrophobicContact CG2-CE 4Å
175	T	98.2	Very high	93.3	Very high	59 Å²	59	67.6 Å²	67.6	36%	0.362	37%	0.371	S	S	.	.			trans	-74.4	129.9	-179	-50	0	0	0	0	111.9	Y177 D389	T175-Y177 HydrophobicContact CG2-CD1 4.18Å; T175-Y177 HydrophobicContact CG2-CE1 3.67Å; T175-Y177 HydrophobicContact CG2-CE2 4.06Å; T175-D389 VanDerWaalsContact CB-OD2 3.31Å; T175-D389 WeakPolarHBondContact CB-OD2 3.27Å; T175-D389 PolarHBondContact N-OD2 2.9Å; T175-D389 PolarHBondContact OG1-OD2 2.96Å
176	R	97.9	Very high	92.8	Very high	60 Å²	60	65 Å²	65	23%	0.226	36%	0.364	C	S	.	.			trans	-92.8	127.4	166.1	176.2	177	175	97	-6.7	109.9	C178 I180 G182 G363 E414 N415	R176-C178 HydrophobicContact CG-CB 4.14Å; R176-C178 PolarHBondContact NH2-SG 2.91Å; R176-I180 PolarHBondContact NH2-O 2.76Å; R176-G182 PolarHBondContact NH2-O 3.45Å; R176-G363 WeakPolarHBondContact CB-O 3.48Å; R176-E414 PolarHBondContact NH1-O 3.24Å; R176-N415 HydrophobicContact CB-CB 4.45Å; R176-N415 HydrophobicContact CG-CB 4.17Å; R176-N415 PolarHBondContact NH1-OD1 2.61Å
177	Y	97.9	Very high	92.2	Very high	94 Å²	94	66.4 Å²	66.4	37%	0.369	37%	0.374	S	S	.	.			trans	-104.7	-12.2	177.2	-61.1	-74.9	0	0	0	113.5	T175 D388 D389 L390 N415	T175-Y177 HydrophobicContact CG2-CD1 4.18Å; T175-Y177 HydrophobicContact CG2-CE1 3.67Å; T175-Y177 HydrophobicContact CG2-CE2 4.06Å; Y177-D388 HydrophobicContact CE2-CB 3.8Å; Y177-D389 WeakPolarHBondContact OH-CB 3.47Å; Y177-D389 PolarHBondContact OH-N 3.47Å; Y177-L390 HydrophobicContact CD2-CB 3.98Å; Y177-L390 HydrophobicContact CD2-CD2 4.4Å; Y177-L390 HydrophobicContact CE2-CB 3.84Å; Y177-N415 CarbonylContact C-O 3.58Å; Y177-N415 WeakPolarHBondContact CA-O 3.49Å; Y177-N415 PolarHBondContact N-O 2.71Å
178	C	97.1	Very high	91.7	Very high	10 Å²	10	65.5 Å²	65.5	7%	0.068	36%	0.357	C	S	.	.			trans	-66	122.6	175.8	177	0	0	0	0	111.1	R176 I180 E414 N415 S416 C419	R176-C178 HydrophobicContact CG-CB 4.14Å; R176-C178 PolarHBondContact NH2-SG 2.91Å; C178-I180 WeakPolarHBondContact SG-CG1 3.47Å; C178-E414 WeakPolarHBondContact CB-O 3.32Å; C178-E414 PolarHBondContact SG-O 2.58Å; C178-N415 PolarHBondContact N-O 2.88Å; C178-S416 VanDerWaalsContact CA-O 3.31Å; C178-S416 WeakPolarHBondContact CA-O 3.26Å; C178-S416 VanDerWaalsContact CB-O 3.31Å; C178-S416 WeakPolarHBondContact CB-O 3.4Å; C178-C419 VanDerWaalsContact CA-SG 3.57Å; C178-C419 HydrophobicContact CB-CB 3.69Å; C178-C419 WeakPolarHBondContact CB-SG 3.37Å; C178-C419 WeakPolarHBondContact SG-CB 3.45Å; C178-C419 CovalentContact SG-SG 2.03Å; C178-C419 PolarHBondContact SG-SG 3.29Å
179	P	94.9	Very high	90.9	Very high	104 Å²	104	69.2 Å²	69.2	68%	0.675	38%	0.375	S	S	*	.			trans	-79	-17.6	-172.5	31.4	-36.8	0	0	0	114.6
180	I	93.6	Very high	90.1	Very high	46 Å²	46	71.4 Å²	71.4	24%	0.236	38%	0.383	C	S	.	.	S	Bend	trans	-87.1	147.5	179.2	58	167.6	0	0	0	111.9	R176 C178 A184 E420	R176-I180 PolarHBondContact NH2-O 2.76Å; C178-I180 WeakPolarHBondContact SG-CG1 3.47Å; I180-A184 HydrophobicContact CD1-CB 3.86Å; I180-E420 HydrophobicContact CD1-CG 4.36Å; I180-E420 HydrophobicContact CG2-CG 4.47Å; I180-E420 WeakPolarHBondContact CG2-OE1 3.41Å
181	E	85.1	Confident	88.9	Confident	197 Å²	197	75 Å²	75	92%	0.921	40%	0.402	S	S	*	.	S	Bend	trans	-75.1	131.4	168.9	-65.1	-170	162.2	0	0	110.6
182	G	84.4	Confident	87.5	Confident	42 Å²	42	77.8 Å²	77.8	43%	0.433	41%	0.414	S	S	.	.	S	Bend	trans	74.5	-131.7	-178.8	0	0	0	0	0	113.8	R176	R176-G182 PolarHBondContact NH2-O 3.45Å
183	K	85.3	Confident	86.2	Confident	101 Å²	101	79.5 Å²	79.5	44%	0.439	42%	0.423	S	S	.	.			trans	-118.7	146.7	-173.1	-60.2	-161.8	-177	-150.6	0	112.3	S327 D367 E414	K183-S327 PolarHBondContact NZ-OG 2.72Å; K183-D367 IonicContact NZ-OD1 2.69Å; K183-D367 PolarHBondContact NZ-OD1 3.21Å; K183-D367 IonicContact NZ-OD2 3.94Å; K183-D367 PolarHBondContact NZ-OD2 3.41Å; K183-E414 WeakPolarHBondContact CD-OE2 3.36Å; K183-E414 VanDerWaalsContact CE-OE1 3.28Å; K183-E414 WeakPolarHBondContact CE-OE1 3.38Å; K183-E414 WeakPolarHBondContact CE-OE2 3.42Å; K183-E414 IonicContact NZ-OE1 2.63Å; K183-E414 PolarHBondContact NZ-OE1 3.34Å; K183-E414 IonicContact NZ-OE2 3.22Å; K183-E414 PolarHBondContact NZ-OE2 3.4Å
184	A	85.2	Confident	84.5	Confident	28 Å²	28	78 Å²	78	23%	0.231	41%	0.409	C	S	.	.			trans	-65.2	146.2	169.4	0	0	0	0	0	111.5	I180 V186 C419	I180-A184 HydrophobicContact CD1-CB 3.86Å; A184-V186 HydrophobicContact CB-CG2 4.38Å; A184-C419 VanDerWaalsContact CB-O 3.26Å; A184-C419 WeakPolarHBondContact CB-O 3.38Å
185	N	72.6	Confident	83	Confident	134 Å²	134	78 Å²	78	72%	0.717	41%	0.409	S	S	*	.			trans	-121.7	56.4	-177.3	-169.1	14.2	0	0	0	111.2	N187	N185-N187 PolarHBondContact O-N 3.36Å; N185-N187 PolarHBondContact O-ND2 3.01Å; N185-N187 PolarHBondContact OD1-ND2 2.91Å
186	V	85.6	Confident	81.4	Confident	46 Å²	46	82.5 Å²	82.5	28%	0.279	43%	0.426	S	S	.	.			trans	-75.6	92.5	-178.1	-171.1	0	0	0	0	110.3	A184 L322 E420 M422 V423	A184-V186 HydrophobicContact CB-CG2 4.38Å; V186-L322 HydrophobicContact CG1-CD1 3.92Å; V186-L322 HydrophobicContact CG1-CD2 4.2Å; V186-E420 WeakPolarHBondContact CG2-O 3.36Å; V186-M422 WeakPolarHBondContact CB-O 3.35Å; V186-M422 WeakPolarHBondContact CG2-O 3.44Å; V186-V423 HydrophobicContact CB-CG2 4.03Å; V186-V423 HydrophobicContact CG1-CG2 3.88Å
187	N	83.3	Confident	80.2	Confident	125 Å²	125	83.7 Å²	83.7	67%	0.668	44%	0.444	S	S	*	.			trans	-85.7	117.7	175.6	-73.4	-77.4	0	0	0	110.8	N185 Q189	N185-N187 PolarHBondContact O-N 3.36Å; N185-N187 PolarHBondContact O-ND2 3.01Å; N185-N187 PolarHBondContact OD1-ND2 2.91Å; N187-Q189 PolarHBondContact O-N 3.12Å
188	I	86.4	Confident	79.1	Confident	32 Å²	32	87.3 Å²	87.3	16%	0.164	46%	0.462	C	S	.	.			trans	-81.1	117.7	172.9	-71.4	178.4	0	0	0	109.2	W190 F315 F319 L322 F324 V423	I188-W190 PolarHBondContact O-N 3.09Å; I188-F315 HydrophobicContact CD1-CZ 3.89Å; I188-F315 HydrophobicContact CG2-CE2 4.12Å; I188-F315 HydrophobicContact CG2-CZ 4.42Å; I188-F319 HydrophobicContact CB-CZ 4.44Å; I188-F319 HydrophobicContact CD1-CD1 4.25Å; I188-F319 HydrophobicContact CD1-CD2 4.16Å; I188-F319 HydrophobicContact CD1-CE1 4.42Å; I188-F319 HydrophobicContact CD1-CE2 4.34Å; I188-F319 HydrophobicContact CD1-CG 4.12Å; I188-F319 HydrophobicContact CD1-CZ 4.48Å; I188-F319 HydrophobicContact CG1-CD1 4.33Å; I188-F319 HydrophobicContact CG1-CE1 4.12Å; I188-F319 HydrophobicContact CG1-CZ 4.25Å; I188-F319 HydrophobicContact CG2-CE1 4.29Å; I188-F319 HydrophobicContact CG2-CE2 3.72Å; I188-F319 HydrophobicContact CG2-CZ 3.59Å; I188-L322 HydrophobicContact CD1-CD1 4.27Å; I188-L322 HydrophobicContact CG1-CD1 4.46Å; I188-F324 HydrophobicContact CD1-CE1 3.51Å; I188-F324 HydrophobicContact CD1-CZ 4.03Å; I188-V423 HydrophobicContact CD1-CG1 3.95Å; I188-V423 HydrophobicContact CD1-CG2 4.09Å; I188-V423 HydrophobicContact CG1-CG1 4.4Å; I188-V423 HydrophobicContact CG1-CG2 4.45Å
189	Q	78.4	Confident	78.5	Confident	179 Å²	179	88.6 Å²	88.6	84%	0.836	47%	0.47	S	S	*	.			trans	-66	113.7	162	-69.5	-178.6	-9.1	0	0	108.4	N187	N187-Q189 PolarHBondContact O-N 3.12Å
190	W	78.9	Confident	78	Confident	47 Å²	47	92.2 Å²	92.2	18%	0.178	48%	0.483	C	S	.	.			trans	-106.5	126.3	179.7	173.1	-106.4	0	0	0	110.1	I188 E192 V195 F315 T467 P470 F472	I188-W190 PolarHBondContact O-N 3.09Å; W190-E192 HydrophobicContact CZ2-CG 3.99Å; W190-V195 HydrophobicContact CH2-CG1 4.1Å; W190-V195 HydrophobicContact CH2-CG2 3.85Å; W190-V195 HydrophobicContact CZ3-CG1 3.78Å; W190-V195 HydrophobicContact CZ3-CG2 4.31Å; W190-F315 HydrophobicContact CE3-CD2 4.05Å; W190-F315 AromaticContact CE3-CE2 3.95Å; W190-F315 HydrophobicContact CE3-CE2 3.95Å; W190-F315 AromaticContact CZ3-CD2 3.67Å; W190-F315 HydrophobicContact CZ3-CD2 3.67Å; W190-F315 HydrophobicContact CZ3-CE2 4.03Å; W190-T467 PolarHBondContact NE1-O 3.08Å; W190-P470 HydrophobicContact CB-CG 4.42Å; W190-P470 HydrophobicContact CD2-CB 3.84Å; W190-P470 HydrophobicContact CD2-CG 4.28Å; W190-P470 HydrophobicContact CE3-CB 3.68Å; W190-P470 HydrophobicContact CE3-CG 4.22Å; W190-P470 HydrophobicContact CG-CB 4.39Å; W190-P470 HydrophobicContact CG-CG 4.38Å; W190-P470 HydrophobicContact CH2-CB 4.45Å; W190-P470 HydrophobicContact CZ3-CB 4Å; W190-F472 HydrophobicContact CH2-CZ 4.28Å; W190-F472 HydrophobicContact CZ3-CZ 4.4Å
191	D	74.6	Confident	77.9	Confident	95 Å²	95	97.9 Å²	97.9	51%	0.508	51%	0.506	S	S	.	.			trans	-143.5	131.8	176	-175.4	2.8	0	0	0	106.3	S194	D191-S194 WeakPolarHBondContact O-CB 3.41Å; D191-S194 PolarHBondContact O-N 2.75Å; D191-S194 PolarHBondContact O-OG 2.69Å
192	E	67.8	Low	78.5	Confident	73 Å²	73	92 Å²	92	34%	0.341	49%	0.485	S	S	.	.	S	Bend	trans	-72.1	-36	-171.4	-61.3	-152.5	107.2	0	0	111.7	W190 S194 V195 R307 T467	W190-E192 HydrophobicContact CZ2-CG 3.99Å; E192-S194 PolarHBondContact O-N 2.84Å; E192-S194 VanDerWaalsContact O-N 3.09Å; E192-V195 WeakPolarHBondContact O-CG2 3.4Å; E192-V195 PolarHBondContact O-N 3.09Å; E192-V195 VanDerWaalsContact O-N 3.14Å; E192-R307 IonicContact OE1-CZ 3.53Å; E192-R307 IonicContact OE1-NH1 2.84Å; E192-R307 PolarHBondContact OE1-NH1 3Å; E192-R307 IonicContact OE1-NH2 3.4Å; E192-R307 PolarHBondContact OE1-NH2 3.32Å; E192-T467 VanDerWaalsContact CD-CG2 3.5Å; E192-T467 HydrophobicContact CG-CG2 4.3Å; E192-T467 WeakPolarHBondContact OE2-CG2 3.46Å
193	D	66.6	Low	79.1	Confident	129 Å²	129	90.1 Å²	90.1	69%	0.69	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.5	174.3	-65.3	4.6	0	0	0	111	V195 E196	D193-V195 PolarHBondContact O-N 3.48Å; D193-E196 PolarHBondContact O-N 3.02Å
194	S	63.2	Low	79.8	Confident	30 Å²	30	89.3 Å²	89.3	21%	0.21	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-76.4	0.5	-178.5	87.3	0	0	0	0	115.5	D191 E192 K318	D191-S194 WeakPolarHBondContact O-CB 3.41Å; D191-S194 PolarHBondContact O-N 2.75Å; D191-S194 PolarHBondContact O-OG 2.69Å; E192-S194 PolarHBondContact O-N 2.84Å; E192-S194 VanDerWaalsContact O-N 3.09Å; S194-K318 PolarHBondContact OG-NZ 2.94Å
195	V	66	Low	80.4	Confident	7 Å²	7	88 Å²	88	4%	0.042	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-112.6	4.5	170	-72.2	0	0	0	0	114.6	W190 E192 D193 Q311 A314 F315	W190-V195 HydrophobicContact CH2-CG1 4.1Å; W190-V195 HydrophobicContact CH2-CG2 3.85Å; W190-V195 HydrophobicContact CZ3-CG1 3.78Å; W190-V195 HydrophobicContact CZ3-CG2 4.31Å; E192-V195 WeakPolarHBondContact O-CG2 3.4Å; E192-V195 PolarHBondContact O-N 3.09Å; E192-V195 VanDerWaalsContact O-N 3.14Å; D193-V195 PolarHBondContact O-N 3.48Å; V195-Q311 HydrophobicContact CG2-CB 4.44Å; V195-Q311 HydrophobicContact CG2-CG 4.25Å; V195-A314 HydrophobicContact CB-CB 4.29Å; V195-A314 HydrophobicContact CG1-CB 4.45Å; V195-F315 HydrophobicContact CG1-CB 3.93Å; V195-F315 HydrophobicContact CG1-CD2 4.42Å
196	E	65.8	Low	81.7	Confident	153 Å²	153	81.6 Å²	81.6	72%	0.715	41%	0.414	S	S	*	.	S	Bend	trans	-78.5	-24.3	176.2	-65.1	-107.5	120.5	0	0	113	D193	D193-E196 PolarHBondContact O-N 3.02Å
197	S	71.2	Confident	82.3	Confident	86 Å²	86	79.5 Å²	79.5	60%	0.601	40%	0.401	S	S	*	.	S	Bend	trans	-79.8	128.4	-178.6	58.7	0	0	0	0	112.9
198	F	75.4	Confident	83.1	Confident	169 Å²	169	73.6 Å²	73.6	74%	0.741	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-68.7	124	174.8	-80.8	-87.2	0	0	0	111
199	P	83.8	Confident	83.7	Confident	38 Å²	38	72.1 Å²	72.1	25%	0.247	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-74.7	138.3	-176.8	29.7	-35.5	0	0	0	112	K201 P202 V313	P199-K201 PolarHBondContact O-N 3.42Å; P199-K201 VanDerWaalsContact O-N 3.14Å; P199-P202 HydrophobicContact CG-CB 4.07Å; P199-P202 WeakPolarHBondContact O-CD 3.22Å; P199-V313 HydrophobicContact CG-CG1 4.43Å
200	L	84.7	Confident	84.6	Confident	180 Å²	180	64.1 Å²	64.1	94%	0.942	33%	0.325	S	S	*	.	S	Bend	trans	-61.5	-20.3	176.9	-65.8	173.5	0	0	0	114.3
201	K	92.7	Very high	85.6	Confident	164 Å²	164	62 Å²	62	71%	0.713	32%	0.317	S	S	*	.	S	Bend	trans	-137.2	74.6	178	-68	-173.6	179.8	179.8	0	109.7	P199 R320	P199-K201 PolarHBondContact O-N 3.42Å; P199-K201 VanDerWaalsContact O-N 3.14Å; K201-R320 PolarHBondContact O-NH1 3.1Å
202	P	96.5	Very high	86.7	Confident	74 Å²	74	63.1 Å²	63.1	48%	0.481	32%	0.319	S	S	.	.			trans	-62.5	136.7	-176.6	26.7	-33.5	0	0	0	110.9	P199 V313 S317	P199-P202 HydrophobicContact CG-CB 4.07Å; P199-P202 WeakPolarHBondContact O-CD 3.22Å; P202-V313 HydrophobicContact CB-CG1 3.65Å; P202-S317 WeakPolarHBondContact CA-OG 3.45Å
203	V	98.2	Very high	88.1	Confident	2 Å²	2	61 Å²	61	1%	0.012	32%	0.317	C	S	.	.			trans	-70.4	147.3	174	-67.7	0	0	0	0	112.4	I205 D294 F295 V313 L316 S317 R320	V203-I205 HydrophobicContact CG2-CG1 4.5Å; V203-D294 VanDerWaalsContact CA-OD2 3.32Å; V203-D294 WeakPolarHBondContact CA-OD2 3.49Å; V203-D294 HydrophobicContact CB-CB 3.91Å; V203-D294 HydrophobicContact CG1-CB 3.87Å; V203-F295 HydrophobicContact CB-CD2 4.35Å; V203-F295 HydrophobicContact CG1-CD2 4.22Å; V203-F295 HydrophobicContact CG1-CE2 4.21Å; V203-F295 HydrophobicContact CG2-CD2 4.41Å; V203-V313 HydrophobicContact CG2-CG1 4.34Å; V203-L316 HydrophobicContact CG2-CB 3.63Å; V203-S317 PolarHBondContact N-OG 3.29Å; V203-R320 HydrophobicContact CG1-CB 4.33Å
204	R	98.7	Very high	89.7	Confident	84 Å²	84	57.4 Å²	57.4	32%	0.317	29%	0.294	S	S	.	.			trans	-105.8	125.7	172.2	-58.7	-176	67.2	-175	4.7	109.3	S230 F232 S292 W293 D294	R204-S230 PolarHBondContact NE-O 3.15Å; R204-S230 PolarHBondContact NH2-O 3.02Å; R204-F232 HydrophobicContact CB-CE2 4.06Å; R204-S292 WeakPolarHBondContact CB-O 3.44Å; R204-S292 WeakPolarHBondContact CD-O 3.36Å; R204-W293 CarbonylContact O-C 3.49Å; R204-W293 WeakPolarHBondContact O-CA 3.26Å; R204-D294 PolarHBondContact N-OD2 2.8Å; R204-D294 PolarHBondContact O-N 3.27Å
205	I	98.9	Very high	91.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.9	-170.3	-57.9	174.1	0	0	0	110.3	V203 F207 H231 F232 I297 L312 V313 L316	V203-I205 HydrophobicContact CG2-CG1 4.5Å; I205-F207 HydrophobicContact CB-CD2 4.21Å; I205-F207 HydrophobicContact CB-CE2 3.8Å; I205-F207 HydrophobicContact CB-CZ 4.26Å; I205-F207 HydrophobicContact CD1-CE2 4.35Å; I205-F207 HydrophobicContact CD1-CZ 4.13Å; I205-F207 HydrophobicContact CG2-CD1 4.21Å; I205-F207 HydrophobicContact CG2-CD2 3.69Å; I205-F207 HydrophobicContact CG2-CE1 4.02Å; I205-F207 HydrophobicContact CG2-CE2 3.48Å; I205-F207 VanDerWaalsContact CG2-CE2 3.48Å; I205-F207 HydrophobicContact CG2-CG 4.06Å; I205-F207 HydrophobicContact CG2-CZ 3.67Å; I205-H231 PolarHBondContact N-ND1 3.46Å; I205-H231 WeakPolarHBondContact O-CB 3.23Å; I205-F232 PolarHBondContact O-N 3.35Å; I205-I297 HydrophobicContact CD1-CD1 4.17Å; I205-I297 HydrophobicContact CG2-CB 4.33Å; I205-I297 HydrophobicContact CG2-CD1 3.55Å; I205-I297 HydrophobicContact CG2-CG1 3.74Å; I205-L312 HydrophobicContact CD1-CD2 3.82Å; I205-L312 HydrophobicContact CD1-CG 4.06Å; I205-V313 HydrophobicContact CD1-CG2 4.41Å; I205-L316 HydrophobicContact CD1-CD1 4Å; I205-L316 HydrophobicContact CG1-CD1 4.48Å
206	A	98.9	Very high	92.9	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	102.9	164.1	0	0	0	0	0	109.6	L285 W293 F295 F296 I297	A206-L285 HydrophobicContact CB-CD1 4.1Å; A206-L285 HydrophobicContact CB-CD2 4.16Å; A206-W293 HydrophobicContact CB-CB 3.85Å; A206-W293 HydrophobicContact CB-CD2 3.9Å; A206-W293 HydrophobicContact CB-CE3 4.29Å; A206-W293 HydrophobicContact CB-CG 3.68Å; A206-F295 PolarHBondContact N-O 3.2Å; A206-F296 WeakPolarHBondContact O-CA 3.44Å; A206-I297 PolarHBondContact O-N 2.86Å
207	F	98.9	Very high	94.5	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	120	172.7	-70	-82.1	0	0	0	110.1	I205 L209 I226 H231 F232 Y233 Y234 I297 L299 L312 F473	I205-F207 HydrophobicContact CB-CD2 4.21Å; I205-F207 HydrophobicContact CB-CE2 3.8Å; I205-F207 HydrophobicContact CB-CZ 4.26Å; I205-F207 HydrophobicContact CD1-CE2 4.35Å; I205-F207 HydrophobicContact CD1-CZ 4.13Å; I205-F207 HydrophobicContact CG2-CD1 4.21Å; I205-F207 HydrophobicContact CG2-CD2 3.69Å; I205-F207 HydrophobicContact CG2-CE1 4.02Å; I205-F207 HydrophobicContact CG2-CE2 3.48Å; I205-F207 VanDerWaalsContact CG2-CE2 3.48Å; I205-F207 HydrophobicContact CG2-CG 4.06Å; I205-F207 HydrophobicContact CG2-CZ 3.67Å; F207-L209 HydrophobicContact CB-CD2 4.07Å; F207-L209 HydrophobicContact CB-CG 4.47Å; F207-I226 HydrophobicContact CD1-CD1 4.32Å; F207-I226 HydrophobicContact CG-CD1 4.42Å; F207-H231 HydrophobicContact CD2-CB 4.47Å; F207-H231 HydrophobicContact CE2-CB 4.31Å; F207-H231 AromaticContact CE2-CD2 3.92Å; F207-F232 PolarHBondContact N-O 3.06Å; F207-Y233 HydrophobicContact CB-CD1 3.76Å; F207-Y233 HydrophobicContact CB-CE1 4.08Å; F207-Y233 AromaticContact CD2-CD1 3.87Å; F207-Y233 HydrophobicContact CD2-CD1 3.87Å; F207-Y233 AromaticContact CD2-CE1 3.29Å; F207-Y233 HydrophobicContact CD2-CE1 3.29Å; F207-Y233 AromaticContact CD2-CZ 3.84Å; F207-Y233 AromaticContact CE2-CE1 3.91Å; F207-Y233 HydrophobicContact CE2-CE1 3.91Å; F207-Y233 HydrophobicContact CG-CD1 4.1Å; F207-Y233 AromaticContact CG-CE1 3.88Å; F207-Y233 HydrophobicContact CG-CE1 3.88Å; F207-Y233 WeakPolarHBondContact O-CA 3.23Å; F207-Y234 PolarHBondContact O-N 3.47Å; F207-I297 CarbonylContact C-O 3.54Å; F207-I297 WeakPolarHBondContact CA-O 3.43Å; F207-I297 HydrophobicContact CD1-CB 3.97Å; F207-I297 HydrophobicContact CD1-CG2 4.14Å; F207-I297 HydrophobicContact CE1-CB 4.17Å; F207-I297 HydrophobicContact CE1-CD1 3.95Å; F207-I297 HydrophobicContact CE1-CG2 4.17Å; F207-I297 HydrophobicContact CZ-CD1 4.37Å; F207-L299 HydrophobicContact CD1-CD1 3.74Å; F207-L299 HydrophobicContact CE1-CD1 4.03Å; F207-L312 HydrophobicContact CZ-CD2 4.28Å; F207-F473 AromaticContact CE1-CZ 3.87Å; F207-F473 HydrophobicContact CE1-CZ 3.87Å; F207-F473 HydrophobicContact CZ-CZ 4.43Å
208	V	98.9	Very high	95.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	108.9	168.3	178.2	0	0	0	0	109.1	V210 Y234 L285 F296 I297 N298 L299	V208-V210 HydrophobicContact CG1-CG2 4.03Å; V208-Y234 VanDerWaalsContact CA-O 3.32Å; V208-Y234 WeakPolarHBondContact CA-O 3.45Å; V208-L285 HydrophobicContact CG2-CD1 3.62Å; V208-F296 HydrophobicContact CB-CE1 4.5Å; V208-F296 HydrophobicContact CB-CE2 4.07Å; V208-F296 HydrophobicContact CB-CZ 3.83Å; V208-F296 HydrophobicContact CG1-CZ 4.33Å; V208-F296 HydrophobicContact CG2-CD2 3.98Å; V208-F296 HydrophobicContact CG2-CE2 3.34Å; V208-F296 HydrophobicContact CG2-CZ 3.66Å; V208-I297 PolarHBondContact N-O 3Å; V208-N298 WeakPolarHBondContact O-CA 3.46Å; V208-L299 PolarHBondContact O-N 2.71Å
209	L	98.9	Very high	96.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113	-176.1	-53.4	-176	0	0	0	108.6	F207 F219 F223 I226 Y233 Y234 I235 H236 L299	F207-L209 HydrophobicContact CB-CD2 4.07Å; F207-L209 HydrophobicContact CB-CG 4.47Å; L209-F219 HydrophobicContact CB-CE2 4.17Å; L209-F219 HydrophobicContact CB-CZ 4.49Å; L209-F219 HydrophobicContact CD1-CE2 3.78Å; L209-F219 HydrophobicContact CD1-CZ 3.82Å; L209-F223 HydrophobicContact CD1-CD2 4.32Å; L209-I226 HydrophobicContact CD1-CD1 4.37Å; L209-I226 HydrophobicContact CD2-CD1 3.98Å; L209-Y233 HydrophobicContact CD1-CD1 4.36Å; L209-Y234 PolarHBondContact N-O 2.99Å; L209-I235 HydrophobicContact CB-CG1 4.29Å; L209-I235 HydrophobicContact CB-CG2 4.21Å; L209-I235 HydrophobicContact CD1-CD1 4.5Å; L209-I235 HydrophobicContact CD1-CG1 4.2Å; L209-H236 PolarHBondContact O-N 2.92Å; L209-L299 WeakPolarHBondContact CA-O 3.18Å; L209-L299 HydrophobicContact CD2-CB 3.79Å; L209-L299 HydrophobicContact CD2-CD1 4Å; L209-L299 HydrophobicContact CD2-CG 4.38Å
210	V	98.7	Very high	97.6	Very high	12 Å²	12	39.9 Å²	39.9	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	102.9	-172.8	-170.4	0	0	0	0	109	V208 L274 M277 Y278 L299	V208-V210 HydrophobicContact CG1-CG2 4.03Å; V210-L274 HydrophobicContact CG1-CD1 4.42Å; V210-M277 HydrophobicContact CB-CE 4.31Å; V210-M277 HydrophobicContact CG1-CE 3.71Å; V210-M277 HydrophobicContact CG2-CE 3.55Å; V210-M277 HydrophobicContact CG2-SD 4.15Å; V210-Y278 HydrophobicContact CG2-CE1 3.81Å; V210-L299 PolarHBondContact N-O 3.43Å
211	I	98.8	Very high	98.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.2	-162.4	65	174.2	0	0	0	114.2	F219 I235 H236 V237 D238 L244 V248 A301	I211-F219 HydrophobicContact CD1-CD1 3.92Å; I211-F219 HydrophobicContact CD1-CD2 3.92Å; I211-F219 HydrophobicContact CD1-CE1 3.77Å; I211-F219 HydrophobicContact CD1-CE2 3.77Å; I211-F219 HydrophobicContact CD1-CG 4Å; I211-F219 HydrophobicContact CD1-CZ 3.7Å; I211-F219 HydrophobicContact CG2-CD2 3.87Å; I211-F219 HydrophobicContact CG2-CE2 3.86Å; I211-I235 HydrophobicContact CD1-CG2 3.74Å; I211-I235 HydrophobicContact CG1-CG2 4.12Å; I211-H236 WeakPolarHBondContact CG1-O 3.36Å; I211-H236 PolarHBondContact N-O 3.23Å; I211-V237 HydrophobicContact CD1-CG2 4.08Å; I211-V237 HydrophobicContact CG1-CB 4.43Å; I211-V237 HydrophobicContact CG1-CG1 4.38Å; I211-V237 HydrophobicContact CG1-CG2 3.93Å; I211-V237 WeakPolarHBondContact O-CA 3.22Å; I211-D238 PolarHBondContact O-N 3.05Å; I211-L244 HydrophobicContact CB-CD2 4.11Å; I211-L244 HydrophobicContact CD1-CD1 4.4Å; I211-L244 HydrophobicContact CD1-CD2 4.02Å; I211-L244 HydrophobicContact CD1-CG 4.12Å; I211-L244 HydrophobicContact CG1-CD2 3.98Å; I211-V248 HydrophobicContact CD1-CG2 3.56Å; I211-A301 HydrophobicContact CB-CB 4.16Å; I211-A301 HydrophobicContact CG2-CB 3.74Å
212	H	98.6	Very high	98.6	Very high	119 Å²	119	23.7 Å²	23.7	55%	0.551	12%	0.123	S	C	*	.			trans	-153.9	171.8	-179.1	63.2	-94.3	0	0	0	110.5	D238 S241	H212-D238 HydrophobicContact CB-CB 3.67Å; H212-S241 WeakPolarHBondContact CA-OG 3.19Å
213	G	97.7	Very high	98.7	Very high	29 Å²	29	20.2 Å²	20.2	30%	0.299	10%	0.1	S	C	.	.	S	Bend	trans	85.4	-150.5	177.1	0	0	0	0	0	113.3	S241	G213-S241 PolarHBondContact N-OG 2.93Å
214	R	98.3	Very high	98.7	Very high	54 Å²	54	21.4 Å²	21.4	20%	0.204	11%	0.106	C	C	.	.	S	Bend	trans	-118.1	-7.6	-170.8	-57.1	-53.7	-78	-158.3	3.3	115.5	S216 Y243 E509 N510 D516	R214-S216 PolarHBondContact O-N 3.02Å; R214-Y243 VanDerWaalsContact NH2-CB 3.35Å; R214-E509 HydrophobicContact CB-CG 3.89Å; R214-N510 VanDerWaalsContact CB-O 3.26Å; R214-N510 WeakPolarHBondContact CB-O 3.39Å; R214-N510 WeakPolarHBondContact CG-O 3.39Å; R214-N510 PolarHBondContact NE-O 3.08Å; R214-N510 PolarHBondContact NH2-OD1 2.86Å; R214-D516 IonicContact CZ-OD2 3.78Å; R214-D516 IonicContact NH1-OD2 2.95Å; R214-D516 PolarHBondContact NH1-OD2 2.91Å; R214-D516 IonicContact NH2-OD2 3.3Å; R214-D516 PolarHBondContact NH2-OD2 2.79Å
215	A	98.4	Very high	98.7	Very high	28 Å²	28	17.6 Å²	17.6	23%	0.231	9%	0.092	C	C	.	.			trans	-73.1	49.8	-171.4	0	0	0	0	0	115.1	R217 Q218 F219 Y507 E509	A215-R217 PolarHBondContact O-N 2.75Å; A215-Q218 HydrophobicContact CB-CB 4.39Å; A215-Q218 PolarHBondContact O-N 2.98Å; A215-F219 PolarHBondContact O-N 3.32Å; A215-Y507 WeakPolarHBondContact CA-OH 3.27Å; A215-Y507 WeakPolarHBondContact CB-OH 3.47Å; A215-E509 WeakPolarHBondContact CA-OE2 3.46Å; A215-E509 WeakPolarHBondContact CB-OE2 3.48Å
216	S	98.7	Very high	98.7	Very high	3 Å²	3	18 Å²	18	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-42.1	-173.9	56.1	0	0	0	0	113.4	R214 F219 Q220 Y243	R214-S216 PolarHBondContact O-N 3.02Å; S216-F219 PolarHBondContact O-N 2.72Å; S216-Q220 VanDerWaalsContact O-CG 3.32Å; S216-Q220 WeakPolarHBondContact O-CG 3.47Å; S216-Q220 PolarHBondContact O-N 3.23Å; S216-Y243 PolarHBondContact OG-OH 2.95Å
217	R	98.8	Very high	98.7	Very high	37 Å²	37	18 Å²	18	14%	0.14	9%	0.094	C	C	.	.	H	α-helix	trans	-68.9	-37.9	179.2	-63.9	-165.7	-172.3	-152.4	1.2	112.9	A215 Q220 R221 Y507 W508 S819 D823 S826	A215-R217 PolarHBondContact O-N 2.75Å; R217-Q220 PolarHBondContact O-N 2.88Å; R217-R221 WeakPolarHBondContact O-CB 3.49Å; R217-R221 PolarHBondContact O-N 2.85Å; R217-Y507 HydrophobicContact CB-CE2 4.12Å; R217-W508 VanDerWaalsContact NH1-CE3 3.26Å; R217-S819 PolarHBondContact NH2-O 3.34Å; R217-D823 WeakPolarHBondContact CD-OD2 3.31Å; R217-D823 IonicContact CZ-OD2 3.92Å; R217-D823 IonicContact NE-OD2 3.75Å; R217-D823 IonicContact NH1-OD2 3.29Å; R217-D823 PolarHBondContact NH1-OD2 3.16Å; R217-S826 VanDerWaalsContact O-CB 3.32Å; R217-S826 WeakPolarHBondContact O-CB 3.44Å
218	Q	98.6	Very high	98.7	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-67.8	-39.1	173.9	176	56.8	22.2	0	0	111	A215 R221 L222 A479 Y507	A215-Q218 HydrophobicContact CB-CB 4.39Å; A215-Q218 PolarHBondContact O-N 2.98Å; Q218-R221 PolarHBondContact O-N 3.41Å; Q218-L222 PolarHBondContact O-N 3.29Å; Q218-A479 HydrophobicContact CB-CB 4.22Å; Q218-A479 HydrophobicContact CG-CB 4.36Å; Q218-Y507 HydrophobicContact CB-CE2 4.22Å
219	F	98.8	Very high	98.6	Very high	3 Å²	3	22.4 Å²	22.4	1%	0.013	12%	0.119	C	C	.	.	H	α-helix	trans	-62.5	-44.3	172.3	173.6	-106.3	0	0	0	112.4	L209 I211 A215 S216 R221 L222 F223 I235 V248 L251 A301	L209-F219 HydrophobicContact CB-CE2 4.17Å; L209-F219 HydrophobicContact CB-CZ 4.49Å; L209-F219 HydrophobicContact CD1-CE2 3.78Å; L209-F219 HydrophobicContact CD1-CZ 3.82Å; I211-F219 HydrophobicContact CD1-CD1 3.92Å; I211-F219 HydrophobicContact CD1-CD2 3.92Å; I211-F219 HydrophobicContact CD1-CE1 3.77Å; I211-F219 HydrophobicContact CD1-CE2 3.77Å; I211-F219 HydrophobicContact CD1-CG 4Å; I211-F219 HydrophobicContact CD1-CZ 3.7Å; I211-F219 HydrophobicContact CG2-CD2 3.87Å; I211-F219 HydrophobicContact CG2-CE2 3.86Å; A215-F219 PolarHBondContact O-N 3.32Å; S216-F219 PolarHBondContact O-N 2.72Å; F219-R221 VanDerWaalsContact C-N 3.32Å; F219-R221 PolarHBondContact O-N 2.92Å; F219-L222 PolarHBondContact O-N 2.93Å; F219-F223 WeakPolarHBondContact O-CB 3.39Å; F219-F223 PolarHBondContact O-N 3.45Å; F219-I235 HydrophobicContact CZ-CD1 4.11Å; F219-I235 HydrophobicContact CZ-CG2 4.21Å; F219-V248 HydrophobicContact CD1-CG2 4.24Å; F219-V248 HydrophobicContact CE1-CG2 3.88Å; F219-L251 HydrophobicContact CE1-CD1 4.04Å; F219-A301 HydrophobicContact CB-CB 4.29Å; F219-A301 HydrophobicContact CD2-CB 4.25Å
220	Q	98.8	Very high	98.6	Very high	39 Å²	39	24.7 Å²	24.7	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-42	174.7	-74.3	171	-39.4	0	0	111.5	S216 R217 F223 K224 L251 S826 L828	S216-Q220 VanDerWaalsContact O-CG 3.32Å; S216-Q220 WeakPolarHBondContact O-CG 3.47Å; S216-Q220 PolarHBondContact O-N 3.23Å; R217-Q220 PolarHBondContact O-N 2.88Å; Q220-F223 WeakPolarHBondContact O-CB 3.29Å; Q220-F223 PolarHBondContact O-N 2.77Å; Q220-K224 WeakPolarHBondContact O-CB 3Å; Q220-K224 PolarHBondContact O-N 2.92Å; Q220-L251 HydrophobicContact CG-CD1 4.26Å; Q220-S826 WeakPolarHBondContact CB-O 3.45Å; Q220-L828 HydrophobicContact CB-CD1 4.41Å; Q220-L828 HydrophobicContact CB-CG 4.48Å; Q220-L828 HydrophobicContact CG-CD1 4.24Å
221	R	98.6	Very high	98.6	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-46.5	175.7	-171.4	-174	-172.4	160	9.1	112.4	R217 Q218 F219 F223 K224 A225 Y304 N487	R217-R221 WeakPolarHBondContact O-CB 3.49Å; R217-R221 PolarHBondContact O-N 2.85Å; Q218-R221 PolarHBondContact O-N 3.41Å; F219-R221 VanDerWaalsContact C-N 3.32Å; F219-R221 PolarHBondContact O-N 2.92Å; R221-F223 PolarHBondContact O-N 2.84Å; R221-K224 WeakPolarHBondContact O-CB 3.4Å; R221-K224 PolarHBondContact O-N 3.33Å; R221-A225 PolarHBondContact O-N 3.21Å; R221-Y304 HydrophobicContact CG-CE2 4.42Å; R221-Y304 WeakPolarHBondContact CG-OH 3.5Å; R221-N487 VanDerWaalsContact CZ-OD1 3.24Å; R221-N487 PolarHBondContact NH1-OD1 3.04Å; R221-N487 PolarHBondContact NH2-OD1 3.48Å
222	L	98.8	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.5	-50.6	172.2	167.4	60.7	0	0	0	111.1	Q218 F219 K224 A225 I226 S300 D303 Y304	Q218-L222 PolarHBondContact O-N 3.29Å; F219-L222 PolarHBondContact O-N 2.93Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 2.99Å; L222-A225 WeakPolarHBondContact O-CB 3.31Å; L222-A225 PolarHBondContact O-N 3.02Å; L222-A225 VanDerWaalsContact O-N 3.15Å; L222-I226 HydrophobicContact CD1-CG2 4.05Å; L222-I226 WeakPolarHBondContact O-CG1 3.31Å; L222-I226 PolarHBondContact O-N 2.82Å; L222-S300 VanDerWaalsContact CD2-O 3.32Å; L222-S300 WeakPolarHBondContact CD2-O 3.27Å; L222-D303 WeakPolarHBondContact CD1-O 3.38Å; L222-D303 WeakPolarHBondContact CD2-O 3.23Å; L222-Y304 HydrophobicContact CB-CD2 4.31Å; L222-Y304 HydrophobicContact CB-CE2 4.31Å; L222-Y304 HydrophobicContact CD1-CD2 4.1Å
223	F	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56	-46.7	177.4	176.3	-94.5	0	0	0	111.2	L209 F219 Q220 R221 A225 I226 Y227 Y233 L251 Y255 V258 L828 I837	L209-F223 HydrophobicContact CD1-CD2 4.32Å; F219-F223 WeakPolarHBondContact O-CB 3.39Å; F219-F223 PolarHBondContact O-N 3.45Å; Q220-F223 WeakPolarHBondContact O-CB 3.29Å; Q220-F223 PolarHBondContact O-N 2.77Å; R221-F223 PolarHBondContact O-N 2.84Å; F223-A225 VanDerWaalsContact C-N 3.31Å; F223-A225 PolarHBondContact O-N 3.29Å; F223-I226 PolarHBondContact O-N 2.74Å; F223-Y227 AromaticContact CE1-CD2 3.83Å; F223-Y227 HydrophobicContact CE1-CD2 3.83Å; F223-Y227 HydrophobicContact CE1-CG 4.33Å; F223-Y227 HydrophobicContact CE2-CD2 4.03Å; F223-Y227 AromaticContact CZ-CD2 3.36Å; F223-Y227 HydrophobicContact CZ-CD2 3.36Å; F223-Y227 AromaticContact CZ-CE2 3.93Å; F223-Y227 HydrophobicContact CZ-CE2 3.93Å; F223-Y227 HydrophobicContact CZ-CG 4.26Å; F223-Y227 VanDerWaalsContact O-CB 3.29Å; F223-Y227 WeakPolarHBondContact O-CB 3.46Å; F223-Y227 PolarHBondContact O-N 3.26Å; F223-Y233 HydrophobicContact CD2-CD1 4.35Å; F223-Y233 HydrophobicContact CE2-CD1 4.07Å; F223-Y233 HydrophobicContact CE2-CD2 4.21Å; F223-Y233 AromaticContact CE2-CG 3.85Å; F223-Y233 HydrophobicContact CE2-CG 3.85Å; F223-L251 HydrophobicContact CD1-CD1 4.04Å; F223-L251 HydrophobicContact CD1-CD2 4.33Å; F223-L251 HydrophobicContact CD1-CG 4.47Å; F223-L251 HydrophobicContact CD2-CD2 4.38Å; F223-L251 HydrophobicContact CE1-CD1 4.43Å; F223-L251 HydrophobicContact CE1-CD2 3.97Å; F223-L251 HydrophobicContact CE1-CG 4.38Å; F223-L251 HydrophobicContact CE2-CD2 4.03Å; F223-L251 HydrophobicContact CG-CD1 4.15Å; F223-L251 HydrophobicContact CZ-CD2 3.8Å; F223-Y255 HydrophobicContact CE1-CD2 4.02Å; F223-Y255 AromaticContact CE1-CE2 3.78Å; F223-Y255 HydrophobicContact CE1-CE2 3.78Å; F223-Y255 HydrophobicContact CZ-CD2 4.03Å; F223-Y255 HydrophobicContact CZ-CE2 4.27Å; F223-V258 HydrophobicContact CE2-CG2 3.85Å; F223-V258 HydrophobicContact CZ-CG2 3.66Å; F223-L828 HydrophobicContact CD1-CD1 3.81Å; F223-L828 HydrophobicContact CD1-CD2 4.17Å; F223-L828 HydrophobicContact CE1-CD1 4.14Å; F223-I837 HydrophobicContact CD1-CD1 4.13Å; F223-I837 HydrophobicContact CE1-CD1 3.8Å
224	K	98.7	Very high	98.7	Very high	28 Å²	28	17.7 Å²	17.7	12%	0.122	9%	0.093	C	C	.	.	H	α-helix	trans	-54.8	-44.9	176	-149.4	-176.5	174.2	159.5	0	111.9	Q220 R221 L222 P824 Q827 L828 I837 R838	Q220-K224 WeakPolarHBondContact O-CB 3Å; Q220-K224 PolarHBondContact O-N 2.92Å; R221-K224 WeakPolarHBondContact O-CB 3.4Å; R221-K224 PolarHBondContact O-N 3.33Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 2.99Å; K224-P824 PolarHBondContact NZ-O 3.26Å; K224-Q827 WeakPolarHBondContact CE-O 3.41Å; K224-Q827 PolarHBondContact NZ-O 3.46Å; K224-L828 HydrophobicContact CB-CD2 3.8Å; K224-L828 HydrophobicContact CD-CD2 4.16Å; K224-L828 HydrophobicContact CG-CD2 3.78Å; K224-I837 WeakPolarHBondContact CE-O 3.44Å; K224-I837 HydrophobicContact CG-CD1 4.21Å; K224-I837 HydrophobicContact CG-CG1 3.93Å; K224-I837 WeakPolarHBondContact CG-O 3.47Å; K224-R838 HydrophobicContact CG-CB 4.04Å; K224-R838 WeakPolarHBondContact O-CB 3.43Å
225	A	98.7	Very high	98.7	Very high	3 Å²	3	15.1 Å²	15.1	3%	0.025	8%	0.084	C	C	.	.	H	α-helix	trans	-66.3	-37.6	178.4	0	0	0	0	0	113.7	R221 L222 F223 Y304 P305 F494 R836	R221-A225 PolarHBondContact O-N 3.21Å; L222-A225 WeakPolarHBondContact O-CB 3.31Å; L222-A225 PolarHBondContact O-N 3.02Å; L222-A225 VanDerWaalsContact O-N 3.15Å; F223-A225 VanDerWaalsContact C-N 3.31Å; F223-A225 PolarHBondContact O-N 3.29Å; A225-Y304 HydrophobicContact CB-CE1 4.33Å; A225-P305 HydrophobicContact CB-CG 3.91Å; A225-F494 HydrophobicContact CB-CE2 3.68Å; A225-F494 HydrophobicContact CB-CZ 4.17Å; A225-R836 PolarHBondContact O-NH1 3.18Å; A225-R836 PolarHBondContact O-NH2 3.38Å
226	I	98.8	Very high	98.7	Very high	8 Å²	8	13.8 Å²	13.8	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-93.9	-8.2	-177.6	69.3	172.8	0	0	0	114.8	F207 L209 L222 F223 Y233 L299 P305 F473	F207-I226 HydrophobicContact CD1-CD1 4.32Å; F207-I226 HydrophobicContact CG-CD1 4.42Å; L209-I226 HydrophobicContact CD1-CD1 4.37Å; L209-I226 HydrophobicContact CD2-CD1 3.98Å; L222-I226 HydrophobicContact CD1-CG2 4.05Å; L222-I226 WeakPolarHBondContact O-CG1 3.31Å; L222-I226 PolarHBondContact O-N 2.82Å; F223-I226 PolarHBondContact O-N 2.74Å; I226-Y233 HydrophobicContact CD1-CD1 4.32Å; I226-Y233 HydrophobicContact CD1-CE1 4.01Å; I226-Y233 HydrophobicContact CG1-CE1 3.95Å; I226-Y233 PolarHBondContact O-OH 3.09Å; I226-L299 HydrophobicContact CD1-CD1 3.76Å; I226-P305 HydrophobicContact CG2-CB 4.43Å; I226-P305 HydrophobicContact CG2-CG 3.97Å; I226-F473 HydrophobicContact CG2-CE1 4.06Å
227	Y	98.9	Very high	98.7	Very high	3 Å²	3	13.7 Å²	13.7	1%	0.012	7%	0.072	C	C	.	.			trans	-69.6	135.5	-174.4	-177.4	-92.3	0	0	0	113.2	F223 T229 Y233 Y255 N257 V258 P831 R836 I837	F223-Y227 AromaticContact CE1-CD2 3.83Å; F223-Y227 HydrophobicContact CE1-CD2 3.83Å; F223-Y227 HydrophobicContact CE1-CG 4.33Å; F223-Y227 HydrophobicContact CE2-CD2 4.03Å; F223-Y227 AromaticContact CZ-CD2 3.36Å; F223-Y227 HydrophobicContact CZ-CD2 3.36Å; F223-Y227 AromaticContact CZ-CE2 3.93Å; F223-Y227 HydrophobicContact CZ-CE2 3.93Å; F223-Y227 HydrophobicContact CZ-CG 4.26Å; F223-Y227 VanDerWaalsContact O-CB 3.29Å; F223-Y227 WeakPolarHBondContact O-CB 3.46Å; F223-Y227 PolarHBondContact O-N 3.26Å; Y227-T229 HydrophobicContact CE1-CG2 4.1Å; Y227-Y233 VanDerWaalsContact CA-OH 3.26Å; Y227-Y233 WeakPolarHBondContact CA-OH 3.16Å; Y227-Y233 HydrophobicContact CD2-CD2 4.19Å; Y227-Y233 AromaticContact CD2-CE2 3.73Å; Y227-Y233 HydrophobicContact CD2-CE2 3.73Å; Y227-Y233 HydrophobicContact CE2-CD2 4.37Å; Y227-Y233 HydrophobicContact CE2-CE2 4.07Å; Y227-Y255 HydrophobicContact CE1-CD1 4.47Å; Y227-Y255 AromaticContact CE2-CD1 3.95Å; Y227-Y255 HydrophobicContact CE2-CD1 3.95Å; Y227-Y255 HydrophobicContact CE2-CE1 4.49Å; Y227-Y255 HydrophobicContact CE2-CG 4.14Å; Y227-Y255 AromaticContact CZ-CD1 3.73Å; Y227-N257 WeakPolarHBondContact CE2-ND2 3.47Å; Y227-N257 WeakPolarHBondContact CE2-OD1 3.47Å; Y227-N257 PolarHBondContact OH-ND2 3.1Å; Y227-N257 PolarHBondContact OH-OD1 3.12Å; Y227-V258 HydrophobicContact CE2-CG2 4.47Å; Y227-P831 HydrophobicContact CE1-CB 4.42Å; Y227-P831 HydrophobicContact CE1-CG 3.96Å; Y227-R836 PolarHBondContact O-NH1 3.19Å; Y227-I837 HydrophobicContact CD1-CB 4.32Å; Y227-I837 HydrophobicContact CD1-CD1 3.89Å; Y227-I837 HydrophobicContact CD1-CG1 3.71Å; Y227-I837 HydrophobicContact CD1-CG2 3.87Å; Y227-I837 HydrophobicContact CD2-CD1 4.39Å; Y227-I837 HydrophobicContact CE1-CG2 4.04Å; Y227-I837 HydrophobicContact CG-CD1 3.72Å; Y227-I837 HydrophobicContact CG-CG1 3.89Å
228	H	98.7	Very high	98.7	Very high	31 Å²	31	12 Å²	12	14%	0.144	7%	0.065	C	C	.	.			trans	-150.3	141.5	164.8	-173.1	-106.5	0	0	0	109.7	S230 H231 Y233 N257 D834 G835	H228-S230 PolarHBondContact CE1-OG 2.87Å; H228-S230 WeakPolarHBondContact ND1-CB 3.43Å; H228-S230 PolarHBondContact ND1-N 3.05Å; H228-S230 PolarHBondContact ND1-OG 3.41Å; H228-S230 PolarHBondContact O-N 2.86Å; H228-H231 PolarHBondContact O-N 3.38Å; H228-H231 VanDerWaalsContact O-N 3.08Å; H228-Y233 PolarHBondContact N-OH 2.93Å; H228-N257 PolarHBondContact O-ND2 3.2Å; H228-D834 PolarHBondContact NE2-O 2.86Å; H228-G835 WeakPolarHBondContact CA-O 3.47Å
229	T	98.4	Very high	98.7	Very high	63 Å²	63	17.1 Å²	17.1	39%	0.387	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.8	-176.5	50.5	0	0	0	0	114.3	Y227 H231 P831 G835	Y227-T229 HydrophobicContact CE1-CG2 4.1Å; T229-H231 VanDerWaalsContact C-N 3.34Å; T229-P831 HydrophobicContact CG2-CB 3.77Å; T229-P831 HydrophobicContact CG2-CG 3.93Å; T229-G835 PolarHBondContact N-O 3.39Å; T229-G835 VanDerWaalsContact N-O 3.07Å; T229-G835 WeakPolarHBondContact OG1-CA 3.37Å
230	S	98	Very high	98.7	Very high	49 Å²	49	23.3 Å²	23.3	34%	0.343	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.2	177.2	-46.4	0	0	0	0	114.4	R204 H228	R204-S230 PolarHBondContact NE-O 3.15Å; R204-S230 PolarHBondContact NH2-O 3.02Å; H228-S230 PolarHBondContact CE1-OG 2.87Å; H228-S230 WeakPolarHBondContact ND1-CB 3.43Å; H228-S230 PolarHBondContact ND1-N 3.05Å; H228-S230 PolarHBondContact ND1-OG 3.41Å; H228-S230 PolarHBondContact O-N 2.86Å
231	H	98.8	Very high	98.7	Very high	2 Å²	2	22 Å²	22	1%	0.009	11%	0.108	C	C	.	.	S	Bend	trans	-91.8	174.5	-177.3	-64.1	-27.7	0	0	0	111.7	I205 F207 H228 T229 Y233 N257 N309	I205-H231 PolarHBondContact N-ND1 3.46Å; I205-H231 WeakPolarHBondContact O-CB 3.23Å; F207-H231 HydrophobicContact CD2-CB 4.47Å; F207-H231 HydrophobicContact CE2-CB 4.31Å; F207-H231 AromaticContact CE2-CD2 3.92Å; H228-H231 PolarHBondContact O-N 3.38Å; H228-H231 VanDerWaalsContact O-N 3.08Å; T229-H231 VanDerWaalsContact C-N 3.34Å; H231-Y233 HydrophobicContact CB-CE2 3.95Å; H231-Y233 WeakPolarHBondContact CB-OH 3.4Å; H231-N257 WeakPolarHBondContact O-CB 3.42Å; H231-N257 PolarHBondContact O-ND2 3.33Å; H231-N309 PolarHBondContact CD2-OD1 3.32Å; H231-N309 PolarHBondContact NE2-OD1 2.86Å
232	F	98.9	Very high	98.6	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.022	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.9	-179.7	-44.9	-85.4	0	0	0	111.2	R204 I205 F207 N257 W291 S292 W293	R204-F232 HydrophobicContact CB-CE2 4.06Å; I205-F232 PolarHBondContact O-N 3.35Å; F207-F232 PolarHBondContact N-O 3.06Å; F232-N257 WeakPolarHBondContact CA-O 3.3Å; F232-N257 HydrophobicContact CD1-CB 4.49Å; F232-W291 HydrophobicContact CB-CD2 3.85Å; F232-W291 HydrophobicContact CB-CE3 3.55Å; F232-W291 HydrophobicContact CB-CH2 4.04Å; F232-W291 HydrophobicContact CB-CZ2 4.33Å; F232-W291 HydrophobicContact CB-CZ3 3.66Å; F232-W291 HydrophobicContact CD1-CB 3.86Å; F232-W291 AromaticContact CD1-CD1 3.5Å; F232-W291 VanDerWaalsContact CD1-CD1 3.5Å; F232-W291 AromaticContact CD1-CD2 3.4Å; F232-W291 HydrophobicContact CD1-CD2 3.4Å; F232-W291 VanDerWaalsContact CD1-CD2 3.4Å; F232-W291 AromaticContact CD1-CE2 3.59Å; F232-W291 HydrophobicContact CD1-CE3 4.04Å; F232-W291 AromaticContact CD1-CG 3.33Å; F232-W291 HydrophobicContact CD1-CG 3.33Å; F232-W291 HydrophobicContact CD1-CZ2 4.3Å; F232-W291 AromaticContact CD1-NE1 3.65Å; F232-W291 HydrophobicContact CD2-CB 4.49Å; F232-W291 HydrophobicContact CE1-CB 3.72Å; F232-W291 AromaticContact CE1-CD1 3.46Å; F232-W291 VanDerWaalsContact CE1-CD1 3.46Å; F232-W291 HydrophobicContact CE1-CD2 4.1Å; F232-W291 AromaticContact CE1-CG 3.49Å; F232-W291 HydrophobicContact CE1-CG 3.49Å; F232-W291 VanDerWaalsContact CE1-CG 3.49Å; F232-W291 AromaticContact CE1-NE1 4Å; F232-W291 HydrophobicContact CE2-CB 4.38Å; F232-W291 HydrophobicContact CG-CB 4.22Å; F232-W291 AromaticContact CG-CD2 3.8Å; F232-W291 HydrophobicContact CG-CD2 3.8Å; F232-W291 AromaticContact CG-CE3 3.96Å; F232-W291 HydrophobicContact CG-CE3 3.96Å; F232-W291 AromaticContact CG-CG 3.96Å; F232-W291 HydrophobicContact CG-CG 3.96Å; F232-W291 HydrophobicContact CZ-CB 3.96Å; F232-W291 HydrophobicContact CZ-CG 4.25Å; F232-S292 WeakPolarHBondContact CE2-O 3.19Å; F232-W293 HydrophobicContact CD2-CB 3.84Å; F232-W293 HydrophobicContact CE2-CB 3.83Å
233	Y	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.8	-175	-54.8	-90.5	0	0	0	109.7	F207 L209 F223 I226 Y227 H228 H231 N257 V258 R259	F207-Y233 HydrophobicContact CB-CD1 3.76Å; F207-Y233 HydrophobicContact CB-CE1 4.08Å; F207-Y233 AromaticContact CD2-CD1 3.87Å; F207-Y233 HydrophobicContact CD2-CD1 3.87Å; F207-Y233 AromaticContact CD2-CE1 3.29Å; F207-Y233 HydrophobicContact CD2-CE1 3.29Å; F207-Y233 AromaticContact CD2-CZ 3.84Å; F207-Y233 AromaticContact CE2-CE1 3.91Å; F207-Y233 HydrophobicContact CE2-CE1 3.91Å; F207-Y233 HydrophobicContact CG-CD1 4.1Å; F207-Y233 AromaticContact CG-CE1 3.88Å; F207-Y233 HydrophobicContact CG-CE1 3.88Å; F207-Y233 WeakPolarHBondContact O-CA 3.23Å; L209-Y233 HydrophobicContact CD1-CD1 4.36Å; F223-Y233 HydrophobicContact CD2-CD1 4.35Å; F223-Y233 HydrophobicContact CE2-CD1 4.07Å; F223-Y233 HydrophobicContact CE2-CD2 4.21Å; F223-Y233 AromaticContact CE2-CG 3.85Å; F223-Y233 HydrophobicContact CE2-CG 3.85Å; I226-Y233 HydrophobicContact CD1-CD1 4.32Å; I226-Y233 HydrophobicContact CD1-CE1 4.01Å; I226-Y233 HydrophobicContact CG1-CE1 3.95Å; I226-Y233 PolarHBondContact O-OH 3.09Å; Y227-Y233 VanDerWaalsContact CA-OH 3.26Å; Y227-Y233 WeakPolarHBondContact CA-OH 3.16Å; Y227-Y233 HydrophobicContact CD2-CD2 4.19Å; Y227-Y233 AromaticContact CD2-CE2 3.73Å; Y227-Y233 HydrophobicContact CD2-CE2 3.73Å; Y227-Y233 HydrophobicContact CE2-CD2 4.37Å; Y227-Y233 HydrophobicContact CE2-CE2 4.07Å; H228-Y233 PolarHBondContact N-OH 2.93Å; H231-Y233 HydrophobicContact CB-CE2 3.95Å; H231-Y233 WeakPolarHBondContact CB-OH 3.4Å; Y233-N257 PolarHBondContact N-O 3.38Å; Y233-V258 HydrophobicContact CD2-CG2 4.12Å; Y233-V258 HydrophobicContact CG-CG2 4.44Å; Y233-V258 WeakPolarHBondContact O-CA 3.35Å; Y233-R259 PolarHBondContact O-N 2.93Å
234	Y	98.9	Very high	98.6	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.027	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.1	175.9	-161.8	-146.1	0	0	0	109.5	F207 V208 L209 R259 T261 P262 D284 L285 M288	F207-Y234 PolarHBondContact O-N 3.47Å; V208-Y234 VanDerWaalsContact CA-O 3.32Å; V208-Y234 WeakPolarHBondContact CA-O 3.45Å; L209-Y234 PolarHBondContact N-O 2.99Å; Y234-R259 WeakPolarHBondContact CA-O 3.49Å; Y234-R259 HydrophobicContact CD2-CB 3.68Å; Y234-R259 HydrophobicContact CE2-CB 4.03Å; Y234-T261 HydrophobicContact CD1-CG2 4.2Å; Y234-T261 HydrophobicContact CD2-CG2 4.41Å; Y234-T261 HydrophobicContact CE1-CG2 3.75Å; Y234-T261 HydrophobicContact CE2-CG2 3.98Å; Y234-P262 WeakPolarHBondContact OH-CD 3.33Å; Y234-D284 HydrophobicContact CE1-CB 3.65Å; Y234-D284 WeakPolarHBondContact CE1-OD2 3.26Å; Y234-D284 PolarHBondContact OH-OD2 3.49Å; Y234-L285 HydrophobicContact CD1-CD2 4.4Å; Y234-L285 HydrophobicContact CD1-CG 4.09Å; Y234-M288 HydrophobicContact CD2-CE 4.19Å; Y234-M288 HydrophobicContact CE1-CE 4.17Å; Y234-M288 HydrophobicContact CE2-CE 3.77Å
235	I	98.9	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.1	-165.8	-48.2	175	0	0	0	109.8	L209 I211 F219 V237 V248 L251 V258 R259 V260 T261	L209-I235 HydrophobicContact CB-CG1 4.29Å; L209-I235 HydrophobicContact CB-CG2 4.21Å; L209-I235 HydrophobicContact CD1-CD1 4.5Å; L209-I235 HydrophobicContact CD1-CG1 4.2Å; I211-I235 HydrophobicContact CD1-CG2 3.74Å; I211-I235 HydrophobicContact CG1-CG2 4.12Å; F219-I235 HydrophobicContact CZ-CD1 4.11Å; F219-I235 HydrophobicContact CZ-CG2 4.21Å; I235-V237 HydrophobicContact CG2-CG2 4.12Å; I235-V248 HydrophobicContact CB-CG1 3.98Å; I235-V248 HydrophobicContact CD1-CG1 3.96Å; I235-V248 HydrophobicContact CG2-CG1 3.61Å; I235-V248 HydrophobicContact CG2-CG2 4.47Å; I235-L251 HydrophobicContact CD1-CD2 4.34Å; I235-V258 HydrophobicContact CD1-CG1 3.63Å; I235-V258 HydrophobicContact CG1-CG1 4.34Å; I235-R259 PolarHBondContact N-O 2.84Å; I235-V260 WeakPolarHBondContact O-CA 3.41Å; I235-V260 WeakPolarHBondContact O-CG1 3.45Å; I235-T261 PolarHBondContact O-N 2.87Å
236	H	98.9	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127	167.8	175.9	-88.9	0	0	0	109.3	L209 I211 T261 W263 M265 M277	L209-H236 PolarHBondContact O-N 2.92Å; I211-H236 WeakPolarHBondContact CG1-O 3.36Å; I211-H236 PolarHBondContact N-O 3.23Å; H236-T261 HydrophobicContact CB-CG2 4Å; H236-W263 AromaticContact CD2-CZ3 3.6Å; H236-W263 AromaticContact NE2-CZ3 3.97Å; H236-M265 PolarHBondContact NE2-N 3.31Å; H236-M277 HydrophobicContact CB-CG 4.32Å; H236-M277 HydrophobicContact CB-SD 4.05Å; H236-M277 VanDerWaalsContact CD2-CG 3.42Å; H236-M277 WeakPolarHBondContact CD2-CG 3.36Å
237	V	98.9	Very high	98.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.6	173.8	-167.7	0	0	0	0	109.4	I211 I235 Q239 L244 H245 V248 R264	I211-V237 HydrophobicContact CD1-CG2 4.08Å; I211-V237 HydrophobicContact CG1-CB 4.43Å; I211-V237 HydrophobicContact CG1-CG1 4.38Å; I211-V237 HydrophobicContact CG1-CG2 3.93Å; I211-V237 WeakPolarHBondContact O-CA 3.22Å; I235-V237 HydrophobicContact CG2-CG2 4.12Å; V237-Q239 PolarHBondContact O-N 2.98Å; V237-L244 HydrophobicContact CG1-CB 4.15Å; V237-L244 HydrophobicContact CG1-CD2 4.24Å; V237-L244 HydrophobicContact CG1-CG 4.1Å; V237-H245 HydrophobicContact CB-CB 4.19Å; V237-H245 HydrophobicContact CG1-CB 3.99Å; V237-V248 HydrophobicContact CG2-CB 4.01Å; V237-V248 HydrophobicContact CG2-CG1 3.83Å; V237-V248 HydrophobicContact CG2-CG2 3.96Å; V237-R264 WeakPolarHBondContact O-CG 3.48Å; V237-R264 PolarHBondContact O-NE 2.77Å
238	D	98.8	Very high	98.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.15	C	C	.	.			trans	-47.6	136.6	-179.5	-176.9	-72.8	0	0	0	111.6	I211 H212 R240 S241 R264 M265 T267	I211-D238 PolarHBondContact O-N 3.05Å; H212-D238 HydrophobicContact CB-CB 3.67Å; D238-R240 PolarHBondContact O-N 2.82Å; D238-R240 VanDerWaalsContact OD1-CB 3.28Å; D238-R240 WeakPolarHBondContact OD1-CB 3.31Å; D238-R240 IonicContact OD1-CZ 3.63Å; D238-R240 PolarHBondContact OD1-N 3.23Å; D238-R240 IonicContact OD1-NE 3.15Å; D238-R240 PolarHBondContact OD1-NE 3Å; D238-R240 IonicContact OD1-NH2 3.87Å; D238-R240 IonicContact OD2-CZ 3.17Å; D238-R240 IonicContact OD2-NE 3.68Å; D238-R240 IonicContact OD2-NH2 2.79Å; D238-R240 PolarHBondContact OD2-NH2 2.83Å; D238-S241 PolarHBondContact O-N 3.47Å; D238-R264 PolarHBondContact O-NH2 2.8Å; D238-M265 WeakPolarHBondContact CA-O 3.26Å; D238-T267 PolarHBondContact OD2-N 2.91Å; D238-T267 PolarHBondContact OD2-OG1 2.84Å; D238-T267 VanDerWaalsContact OD2-OG1 3.05Å
239	Q	98.3	Very high	98.6	Very high	112 Å²	112	34.4 Å²	34.4	52%	0.523	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.9	-174.1	-171.3	175.2	-1.9	0	0	113.7	V237 N242 R264 M265 A266	V237-Q239 PolarHBondContact O-N 2.98Å; Q239-N242 PolarHBondContact O-OD1 2.87Å; Q239-R264 VanDerWaalsContact C-NH2 3.3Å; Q239-R264 HydrophobicContact CB-CB 4.19Å; Q239-R264 PolarHBondContact O-NH2 3.18Å; Q239-M265 PolarHBondContact N-O 2.76Å; Q239-A266 HydrophobicContact CB-CB 4.49Å
240	R	97.5	Very high	98.6	Very high	133 Å²	133	33.9 Å²	33.9	50%	0.502	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.5	179.1	-57.6	163.5	-70.3	180	-2.4	113.3	D238 N242 A266 T267	D238-R240 PolarHBondContact O-N 2.82Å; D238-R240 VanDerWaalsContact OD1-CB 3.28Å; D238-R240 WeakPolarHBondContact OD1-CB 3.31Å; D238-R240 IonicContact OD1-CZ 3.63Å; D238-R240 PolarHBondContact OD1-N 3.23Å; D238-R240 IonicContact OD1-NE 3.15Å; D238-R240 PolarHBondContact OD1-NE 3Å; D238-R240 IonicContact OD1-NH2 3.87Å; D238-R240 IonicContact OD2-CZ 3.17Å; D238-R240 IonicContact OD2-NE 3.68Å; D238-R240 IonicContact OD2-NH2 2.79Å; D238-R240 PolarHBondContact OD2-NH2 2.83Å; R240-N242 PolarHBondContact O-N 3.23Å; R240-A266 HydrophobicContact CG-CB 4.44Å; R240-T267 PolarHBondContact NH2-O 2.65Å
241	S	98.4	Very high	98.6	Very high	13 Å²	13	31.7 Å²	31.7	9%	0.091	15%	0.152	C	C	.	.			trans	-96.1	59.3	-172	-57	0	0	0	0	112.6	H212 G213 D238 L244 H245	H212-S241 WeakPolarHBondContact CA-OG 3.19Å; G213-S241 PolarHBondContact N-OG 2.93Å; D238-S241 PolarHBondContact O-N 3.47Å; S241-L244 PolarHBondContact O-N 3.42Å; S241-H245 PolarHBondContact O-N 2.74Å
242	N	98.5	Very high	98.6	Very high	71 Å²	71	32.3 Å²	32.3	38%	0.38	16%	0.157	S	C	.	.	H	α-helix	trans	-65	-41.6	-170.6	-73.7	-24.3	0	0	0	114.7	Q239 R240 L244 H245 R246 R264	Q239-N242 PolarHBondContact O-OD1 2.87Å; R240-N242 PolarHBondContact O-N 3.23Å; N242-L244 PolarHBondContact O-N 2.75Å; N242-H245 WeakPolarHBondContact O-CB 3.49Å; N242-H245 PolarHBondContact O-N 2.93Å; N242-R246 PolarHBondContact O-N 3.18Å; N242-R264 PolarHBondContact OD1-NH1 2.8Å; N242-R264 PolarHBondContact OD1-NH2 2.86Å
243	Y	98.7	Very high	98.5	Very high	13 Å²	13	36.9 Å²	36.9	5%	0.051	19%	0.19	C	C	.	.	H	α-helix	trans	-52.2	-52.4	169.4	165.9	-103.6	0	0	0	112.6	R214 S216 H245 R246 Q247 N510 D513	R214-Y243 VanDerWaalsContact NH2-CB 3.35Å; S216-Y243 PolarHBondContact OG-OH 2.95Å; Y243-H245 PolarHBondContact O-N 3.48Å; Y243-R246 WeakPolarHBondContact O-CB 2.82Å; Y243-R246 PolarHBondContact O-N 3.2Å; Y243-R246 VanDerWaalsContact O-N 3.09Å; Y243-Q247 HydrophobicContact CD2-CG 4.32Å; Y243-Q247 HydrophobicContact CE1-CG 4.03Å; Y243-Q247 HydrophobicContact CE2-CG 3.73Å; Y243-Q247 PolarHBondContact O-N 2.03Å; Y243-N510 HydrophobicContact CD1-CB 4.47Å; Y243-N510 HydrophobicContact CE1-CB 3.78Å; Y243-N510 HydrophobicContact CE2-CB 3.9Å; Y243-N510 VanDerWaalsContact CZ-CB 3.46Å; Y243-D513 HydrophobicContact CD2-CB 3.84Å
244	L	98.8	Very high	98.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-35.7	-179.9	-175	60.4	0	0	0	111.2	I211 V237 S241 N242 Q247 V248	I211-L244 HydrophobicContact CB-CD2 4.11Å; I211-L244 HydrophobicContact CD1-CD1 4.4Å; I211-L244 HydrophobicContact CD1-CD2 4.02Å; I211-L244 HydrophobicContact CD1-CG 4.12Å; I211-L244 HydrophobicContact CG1-CD2 3.98Å; V237-L244 HydrophobicContact CG1-CB 4.15Å; V237-L244 HydrophobicContact CG1-CD2 4.24Å; V237-L244 HydrophobicContact CG1-CG 4.1Å; S241-L244 PolarHBondContact O-N 3.42Å; N242-L244 PolarHBondContact O-N 2.75Å; L244-Q247 PolarHBondContact O-N 3.47Å; L244-V248 HydrophobicContact CD1-CG2 4.32Å; L244-V248 HydrophobicContact CG-CG2 4.34Å; L244-V248 WeakPolarHBondContact O-CB 3.36Å; L244-V248 WeakPolarHBondContact O-CG2 3.32Å; L244-V248 PolarHBondContact O-N 3.12Å
245	H	98.8	Very high	98.5	Very high	27 Å²	27	42.1 Å²	42.1	13%	0.125	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-43.8	174	-175.5	-102.4	0	0	0	112.1	V237 S241 N242 Y243 Q247 V248 Q249	V237-H245 HydrophobicContact CB-CB 4.19Å; V237-H245 HydrophobicContact CG1-CB 3.99Å; S241-H245 PolarHBondContact O-N 2.74Å; N242-H245 WeakPolarHBondContact O-CB 3.49Å; N242-H245 PolarHBondContact O-N 2.93Å; Y243-H245 PolarHBondContact O-N 3.48Å; H245-Q247 PolarHBondContact O-N 3.39Å; H245-V248 PolarHBondContact O-N 3.1Å; H245-Q249 PolarHBondContact CE1-NE2 2.88Å; H245-Q249 PolarHBondContact CE1-OE1 3.41Å; H245-Q249 PolarHBondContact ND1-OE1 3.23Å; H245-Q249 WeakPolarHBondContact O-CG 3.48Å; H245-Q249 PolarHBondContact O-N 3.34Å
246	R	98.8	Very high	98.4	Very high	64 Å²	64	47.8 Å²	47.8	24%	0.242	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-47.3	173.6	-67.6	-171.4	-69.7	-81.4	2	111.5	N242 Y243 V248 Q249 A250 D513 D516	N242-R246 PolarHBondContact O-N 3.18Å; Y243-R246 WeakPolarHBondContact O-CB 2.82Å; Y243-R246 PolarHBondContact O-N 3.2Å; Y243-R246 VanDerWaalsContact O-N 3.09Å; R246-V248 VanDerWaalsContact C-N 3.3Å; R246-V248 PolarHBondContact O-N 2.87Å; R246-Q249 PolarHBondContact O-N 3.42Å; R246-A250 PolarHBondContact O-N 2.91Å; R246-A250 VanDerWaalsContact O-N 3.12Å; R246-D513 IonicContact CZ-OD2 3.34Å; R246-D513 IonicContact NE-OD2 3.33Å; R246-D513 PolarHBondContact NE-OD2 3.19Å; R246-D513 IonicContact NH2-OD2 2.71Å; R246-D513 PolarHBondContact NH2-OD2 3.15Å; R246-D516 IonicContact CZ-OD1 3.89Å; R246-D516 VanDerWaalsContact CZ-OD1 3.25Å; R246-D516 IonicContact NH1-OD1 3.9Å; R246-D516 PolarHBondContact NH1-OD1 3.2Å; R246-D516 IonicContact NH2-OD1 3.65Å; R246-D516 PolarHBondContact NH2-OD1 3.35Å; R246-D516 IonicContact NH2-OD2 3.72Å; R246-D516 PolarHBondContact NH2-OD2 3.16Å
247	Q	98.8	Very high	98.4	Very high	61 Å²	61	48.4 Å²	48.4	29%	0.285	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-37.1	177.1	-61	-50.7	123.8	0	0	112.9	Y243 L244 H245 L251	Y243-Q247 HydrophobicContact CD2-CG 4.32Å; Y243-Q247 HydrophobicContact CE1-CG 4.03Å; Y243-Q247 HydrophobicContact CE2-CG 3.73Å; Y243-Q247 PolarHBondContact O-N 2.03Å; L244-Q247 PolarHBondContact O-N 3.47Å; H245-Q247 PolarHBondContact O-N 3.39Å; Q247-L251 PolarHBondContact O-N 2.99Å; Q247-L251 VanDerWaalsContact O-N 3.1Å
248	V	98.7	Very high	98.4	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-74.6	-37.8	-179.5	166.6	0	0	0	0	112	I211 F219 I235 V237 L244 H245 R246 L251 A252 V260	I211-V248 HydrophobicContact CD1-CG2 3.56Å; F219-V248 HydrophobicContact CD1-CG2 4.24Å; F219-V248 HydrophobicContact CE1-CG2 3.88Å; I235-V248 HydrophobicContact CB-CG1 3.98Å; I235-V248 HydrophobicContact CD1-CG1 3.96Å; I235-V248 HydrophobicContact CG2-CG1 3.61Å; I235-V248 HydrophobicContact CG2-CG2 4.47Å; V237-V248 HydrophobicContact CG2-CB 4.01Å; V237-V248 HydrophobicContact CG2-CG1 3.83Å; V237-V248 HydrophobicContact CG2-CG2 3.96Å; L244-V248 HydrophobicContact CD1-CG2 4.32Å; L244-V248 HydrophobicContact CG-CG2 4.34Å; L244-V248 WeakPolarHBondContact O-CB 3.36Å; L244-V248 WeakPolarHBondContact O-CG2 3.32Å; L244-V248 PolarHBondContact O-N 3.12Å; H245-V248 PolarHBondContact O-N 3.1Å; R246-V248 VanDerWaalsContact C-N 3.3Å; R246-V248 PolarHBondContact O-N 2.87Å; V248-L251 WeakPolarHBondContact O-CB 3.29Å; V248-L251 PolarHBondContact O-N 2.78Å; V248-A252 WeakPolarHBondContact O-CB 3.26Å; V248-A252 PolarHBondContact O-N 2.89Å; V248-V260 HydrophobicContact CG1-CG1 4.13Å; V248-V260 HydrophobicContact CG1-CG2 3.78Å
249	Q	98.5	Very high	98.4	Very high	99 Å²	99	52.5 Å²	52.5	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-44.3	172.4	-71.8	178.8	-72.5	0	0	111.2	H245 R246 L251 A252 S253	H245-Q249 PolarHBondContact CE1-NE2 2.88Å; H245-Q249 PolarHBondContact CE1-OE1 3.41Å; H245-Q249 PolarHBondContact ND1-OE1 3.23Å; H245-Q249 WeakPolarHBondContact O-CG 3.48Å; H245-Q249 PolarHBondContact O-N 3.34Å; R246-Q249 PolarHBondContact O-N 3.42Å; Q249-L251 VanDerWaalsContact C-N 3.27Å; Q249-L251 PolarHBondContact O-N 3.41Å; Q249-A252 PolarHBondContact O-N 2.78Å; Q249-S253 PolarHBondContact O-N 3.48Å; Q249-S253 VanDerWaalsContact O-N 3.12Å; Q249-S253 PolarHBondContact O-OG 2.82Å
250	A	98.1	Very high	98.4	Very high	52 Å²	52	48.6 Å²	48.6	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-67.9	-22.5	176.5	0	0	0	0	0	113.8	R246 S253 Q254	R246-A250 PolarHBondContact O-N 2.91Å; R246-A250 VanDerWaalsContact O-N 3.12Å; A250-S253 PolarHBondContact O-OG 3.31Å; A250-Q254 PolarHBondContact O-NE2 2.85Å
251	L	98.1	Very high	98.5	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-76.4	-49.9	169.2	178.9	163.9	0	0	0	110.7	F219 Q220 F223 I235 Q247 V248 Q249 S253 Q254 Y255 V258 L828	F219-L251 HydrophobicContact CE1-CD1 4.04Å; Q220-L251 HydrophobicContact CG-CD1 4.26Å; F223-L251 HydrophobicContact CD1-CD1 4.04Å; F223-L251 HydrophobicContact CD1-CD2 4.33Å; F223-L251 HydrophobicContact CD1-CG 4.47Å; F223-L251 HydrophobicContact CD2-CD2 4.38Å; F223-L251 HydrophobicContact CE1-CD1 4.43Å; F223-L251 HydrophobicContact CE1-CD2 3.97Å; F223-L251 HydrophobicContact CE1-CG 4.38Å; F223-L251 HydrophobicContact CE2-CD2 4.03Å; F223-L251 HydrophobicContact CG-CD1 4.15Å; F223-L251 HydrophobicContact CZ-CD2 3.8Å; I235-L251 HydrophobicContact CD1-CD2 4.34Å; Q247-L251 PolarHBondContact O-N 2.99Å; Q247-L251 VanDerWaalsContact O-N 3.1Å; V248-L251 WeakPolarHBondContact O-CB 3.29Å; V248-L251 PolarHBondContact O-N 2.78Å; Q249-L251 VanDerWaalsContact C-N 3.27Å; Q249-L251 PolarHBondContact O-N 3.41Å; L251-S253 VanDerWaalsContact C-N 3.28Å; L251-S253 PolarHBondContact O-N 3.48Å; L251-Q254 WeakPolarHBondContact O-CB 3.38Å; L251-Q254 PolarHBondContact O-N 2.85Å; L251-Y255 HydrophobicContact CD2-CD2 4.36Å; L251-V258 HydrophobicContact CD2-CG1 3.96Å; L251-L828 HydrophobicContact CD1-CD1 3.47Å; L251-L828 VanDerWaalsContact CD1-CD1 3.47Å; L251-L828 HydrophobicContact CG-CD1 3.64Å
252	A	98.3	Very high	98.4	Very high	15 Å²	15	47.4 Å²	47.4	12%	0.124	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-34	-175	0	0	0	0	0	112.9	V248 Q249 Q254 Y255 V258 V260	V248-A252 WeakPolarHBondContact O-CB 3.26Å; V248-A252 PolarHBondContact O-N 2.89Å; Q249-A252 PolarHBondContact O-N 2.78Å; A252-Q254 PolarHBondContact O-N 2.77Å; A252-Q254 VanDerWaalsContact O-N 3.11Å; A252-Y255 PolarHBondContact O-N 3.4Å; A252-V258 HydrophobicContact CB-CB 4.35Å; A252-V258 HydrophobicContact CB-CG1 3.76Å; A252-V260 HydrophobicContact CB-CG2 3.62Å
253	S	97.9	Very high	98.5	Very high	101 Å²	101	45.1 Å²	45.1	71%	0.706	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.4	175.8	57.6	0	0	0	0	114.9	Q249 A250 L251	Q249-S253 PolarHBondContact O-N 3.48Å; Q249-S253 VanDerWaalsContact O-N 3.12Å; Q249-S253 PolarHBondContact O-OG 2.82Å; A250-S253 PolarHBondContact O-OG 3.31Å; L251-S253 VanDerWaalsContact C-N 3.28Å; L251-S253 PolarHBondContact O-N 3.48Å
254	Q	98	Very high	98.4	Very high	109 Å²	109	47.2 Å²	47.2	51%	0.509	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.6	179.6	-61.7	174.3	56.3	0	0	113.4	A250 L251 A252	A250-Q254 PolarHBondContact O-NE2 2.85Å; L251-Q254 WeakPolarHBondContact O-CB 3.38Å; L251-Q254 PolarHBondContact O-N 2.85Å; A252-Q254 PolarHBondContact O-N 2.77Å; A252-Q254 VanDerWaalsContact O-N 3.11Å
255	Y	98.4	Very high	98.4	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.027	26%	0.264	C	S	.	.			trans	-138.4	117.8	-168.1	-61.8	-70.7	0	0	0	112.1	F223 Y227 L251 A252 N257 V258 L828 G829 P831 I837	F223-Y255 HydrophobicContact CE1-CD2 4.02Å; F223-Y255 AromaticContact CE1-CE2 3.78Å; F223-Y255 HydrophobicContact CE1-CE2 3.78Å; F223-Y255 HydrophobicContact CZ-CD2 4.03Å; F223-Y255 HydrophobicContact CZ-CE2 4.27Å; Y227-Y255 HydrophobicContact CE1-CD1 4.47Å; Y227-Y255 AromaticContact CE2-CD1 3.95Å; Y227-Y255 HydrophobicContact CE2-CD1 3.95Å; Y227-Y255 HydrophobicContact CE2-CE1 4.49Å; Y227-Y255 HydrophobicContact CE2-CG 4.14Å; Y227-Y255 AromaticContact CZ-CD1 3.73Å; L251-Y255 HydrophobicContact CD2-CD2 4.36Å; A252-Y255 PolarHBondContact O-N 3.4Å; Y255-N257 PolarHBondContact O-N 3.49Å; Y255-N257 VanDerWaalsContact O-N 3.13Å; Y255-V258 VanDerWaalsContact CB-CG2 3.47Å; Y255-V258 HydrophobicContact CD2-CG2 4.34Å; Y255-V258 HydrophobicContact CG-CG2 4.22Å; Y255-V258 PolarHBondContact O-N 2.94Å; Y255-L828 HydrophobicContact CE2-CB 4.45Å; Y255-L828 HydrophobicContact CE2-CD1 4.38Å; Y255-L828 WeakPolarHBondContact OH-CB 3.33Å; Y255-G829 PolarHBondContact OH-N 2.92Å; Y255-G829 PolarHBondContact OH-O 2.96Å; Y255-P831 HydrophobicContact CD1-CG 4.48Å; Y255-P831 HydrophobicContact CE1-CG 4.27Å; Y255-I837 HydrophobicContact CE1-CD1 4.43Å; Y255-I837 HydrophobicContact CE1-CG2 4.2Å
256	P	97.5	Very high	98.4	Very high	120 Å²	120	48 Å²	48	78%	0.779	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.7	-174.2	28.4	-36	0	0	0	114.1
257	N	98.6	Very high	98.3	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.064	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	14	175.8	65.6	-34.5	0	0	0	113.7	Y227 H228 H231 F232 Y233 Y255 W291	Y227-N257 WeakPolarHBondContact CE2-ND2 3.47Å; Y227-N257 WeakPolarHBondContact CE2-OD1 3.47Å; Y227-N257 PolarHBondContact OH-ND2 3.1Å; Y227-N257 PolarHBondContact OH-OD1 3.12Å; H228-N257 PolarHBondContact O-ND2 3.2Å; H231-N257 WeakPolarHBondContact O-CB 3.42Å; H231-N257 PolarHBondContact O-ND2 3.33Å; F232-N257 WeakPolarHBondContact CA-O 3.3Å; F232-N257 HydrophobicContact CD1-CB 4.49Å; Y233-N257 PolarHBondContact N-O 3.38Å; Y255-N257 PolarHBondContact O-N 3.49Å; Y255-N257 VanDerWaalsContact O-N 3.13Å; N257-W291 WeakPolarHBondContact O-CZ2 3.42Å
258	V	98.9	Very high	98.2	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.055	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.4	176.2	-174.5	0	0	0	0	110	F223 Y227 Y233 I235 L251 A252 Y255	F223-V258 HydrophobicContact CE2-CG2 3.85Å; F223-V258 HydrophobicContact CZ-CG2 3.66Å; Y227-V258 HydrophobicContact CE2-CG2 4.47Å; Y233-V258 HydrophobicContact CD2-CG2 4.12Å; Y233-V258 HydrophobicContact CG-CG2 4.44Å; Y233-V258 WeakPolarHBondContact O-CA 3.35Å; I235-V258 HydrophobicContact CD1-CG1 3.63Å; I235-V258 HydrophobicContact CG1-CG1 4.34Å; L251-V258 HydrophobicContact CD2-CG1 3.96Å; A252-V258 HydrophobicContact CB-CB 4.35Å; A252-V258 HydrophobicContact CB-CG1 3.76Å; Y255-V258 VanDerWaalsContact CB-CG2 3.47Å; Y255-V258 HydrophobicContact CD2-CG2 4.34Å; Y255-V258 HydrophobicContact CG-CG2 4.22Å; Y255-V258 PolarHBondContact O-N 2.94Å
259	R	98.8	Very high	98.2	Very high	78 Å²	78	46.1 Å²	46.1	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.4	176.1	-72.8	174.7	176.8	154.5	3.8	109.9	Y233 Y234 I235 M288 D290 W291	Y233-R259 PolarHBondContact O-N 2.93Å; Y234-R259 WeakPolarHBondContact CA-O 3.49Å; Y234-R259 HydrophobicContact CD2-CB 3.68Å; Y234-R259 HydrophobicContact CE2-CB 4.03Å; I235-R259 PolarHBondContact N-O 2.84Å; R259-M288 PolarHBondContact NH1-SD 3.35Å; R259-D290 IonicContact CZ-OD1 3.51Å; R259-D290 IonicContact CZ-OD2 3.71Å; R259-D290 IonicContact NH1-OD1 3.55Å; R259-D290 PolarHBondContact NH1-OD1 3.18Å; R259-D290 IonicContact NH1-OD2 2.87Å; R259-D290 PolarHBondContact NH1-OD2 2.69Å; R259-D290 IonicContact NH2-OD1 2.67Å; R259-D290 IonicContact NH2-OD2 3.71Å; R259-D290 PolarHBondContact NH2-OD2 3.22Å; R259-W291 HydrophobicContact CB-CH2 3.69Å; R259-W291 HydrophobicContact CB-CZ2 4.16Å; R259-W291 HydrophobicContact CB-CZ3 4.46Å; R259-W291 VanDerWaalsContact CD-CZ2 3.45Å; R259-W291 HydrophobicContact CG-CH2 3.65Å; R259-W291 HydrophobicContact CG-CZ2 3.57Å
260	V	98.9	Very high	98	Very high	30 Å²	30	41.7 Å²	41.7	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.9	173.8	-168.4	0	0	0	0	108.1	I235 V248 A252 P262	I235-V260 WeakPolarHBondContact O-CA 3.41Å; I235-V260 WeakPolarHBondContact O-CG1 3.45Å; V248-V260 HydrophobicContact CG1-CG1 4.13Å; V248-V260 HydrophobicContact CG1-CG2 3.78Å; A252-V260 HydrophobicContact CB-CG2 3.62Å; V260-P262 WeakPolarHBondContact O-CD 3.43Å
261	T	98.8	Very high	98	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	22%	0.217	C	C	.	.			trans	-63.1	122.4	175.8	59	0	0	0	0	109.7	Y234 I235 H236 W263	Y234-T261 HydrophobicContact CD1-CG2 4.2Å; Y234-T261 HydrophobicContact CD2-CG2 4.41Å; Y234-T261 HydrophobicContact CE1-CG2 3.75Å; Y234-T261 HydrophobicContact CE2-CG2 3.98Å; I235-T261 PolarHBondContact O-N 2.87Å; H236-T261 HydrophobicContact CB-CG2 4Å; T261-W263 CarbonylContact C-O 3.58Å; T261-W263 WeakPolarHBondContact CB-O 3.08Å; T261-W263 HydrophobicContact CG2-CH2 4.16Å; T261-W263 HydrophobicContact CG2-CZ2 3.77Å; T261-W263 PolarHBondContact O-N 3.34Å; T261-W263 PolarHBondContact OG1-O 2.85Å
262	P	97.8	Very high	98	Very high	120 Å²	120	39.4 Å²	39.4	78%	0.779	22%	0.22	S	C	*	.	S	Bend	trans	-71.2	-19.2	-179.8	29	-34	0	0	0	111.9	Y234 V260	Y234-P262 WeakPolarHBondContact OH-CD 3.33Å; V260-P262 WeakPolarHBondContact O-CD 3.43Å
263	W	98.6	Very high	98	Very high	23 Å²	23	39.4 Å²	39.4	9%	0.087	22%	0.219	C	C	.	.	S	Bend	trans	-98.6	148.3	167.6	53.7	-89.7	0	0	0	109.4	H236 T261 M265 M277 R280 S281 D284	H236-W263 AromaticContact CD2-CZ3 3.6Å; H236-W263 AromaticContact NE2-CZ3 3.97Å; T261-W263 CarbonylContact C-O 3.58Å; T261-W263 WeakPolarHBondContact CB-O 3.08Å; T261-W263 HydrophobicContact CG2-CH2 4.16Å; T261-W263 HydrophobicContact CG2-CZ2 3.77Å; T261-W263 PolarHBondContact O-N 3.34Å; T261-W263 PolarHBondContact OG1-O 2.85Å; W263-M265 HydrophobicContact CE3-CE 3.77Å; W263-M265 HydrophobicContact CE3-CG 4.19Å; W263-M265 HydrophobicContact CE3-SD 4.35Å; W263-M265 HydrophobicContact CZ3-CE 3.72Å; W263-M265 HydrophobicContact CZ3-CG 4.21Å; W263-M265 HydrophobicContact CZ3-SD 3.96Å; W263-M277 HydrophobicContact CH2-CB 4.24Å; W263-M277 HydrophobicContact CH2-CG 3.77Å; W263-M277 WeakPolarHBondContact CH2-O 3.32Å; W263-M277 HydrophobicContact CH2-SD 4.41Å; W263-M277 HydrophobicContact CZ3-CB 4.12Å; W263-M277 HydrophobicContact CZ3-CG 3.78Å; W263-R280 VanDerWaalsContact CD1-CZ 3.46Å; W263-R280 VanDerWaalsContact CD1-NE 3.27Å; W263-R280 HydrophobicContact CD2-CG 4.25Å; W263-R280 VanDerWaalsContact CE2-CD 3.46Å; W263-R280 HydrophobicContact CH2-CB 3.98Å; W263-R280 HydrophobicContact CH2-CG 4.22Å; W263-R280 HydrophobicContact CZ2-CB 3.79Å; W263-R280 HydrophobicContact CZ2-CG 3.62Å; W263-S281 WeakPolarHBondContact CH2-OG 3.42Å; W263-D284 PolarHBondContact NE1-OD2 3.35Å
264	R	98.5	Very high	98	Very high	57 Å²	57	36.1 Å²	36.1	22%	0.215	19%	0.193	C	C	.	.			trans	-132.6	156.1	177.2	-67.4	168.7	64.2	-151.7	-1.3	109	V237 D238 Q239 N242	V237-R264 WeakPolarHBondContact O-CG 3.48Å; V237-R264 PolarHBondContact O-NE 2.77Å; D238-R264 PolarHBondContact O-NH2 2.8Å; Q239-R264 VanDerWaalsContact C-NH2 3.3Å; Q239-R264 HydrophobicContact CB-CB 4.19Å; Q239-R264 PolarHBondContact O-NH2 3.18Å; N242-R264 PolarHBondContact OD1-NH1 2.8Å; N242-R264 PolarHBondContact OD1-NH2 2.86Å
265	M	98.3	Very high	98.1	Very high	31 Å²	31	31.2 Å²	31.2	15%	0.153	17%	0.17	C	C	.	.			trans	-136.6	150.2	179.8	-65	177	-177.6	0	0	109.1	H236 D238 Q239 W263 T267 T276 M277	H236-M265 PolarHBondContact NE2-N 3.31Å; D238-M265 WeakPolarHBondContact CA-O 3.26Å; Q239-M265 PolarHBondContact N-O 2.76Å; W263-M265 HydrophobicContact CE3-CE 3.77Å; W263-M265 HydrophobicContact CE3-CG 4.19Å; W263-M265 HydrophobicContact CE3-SD 4.35Å; W263-M265 HydrophobicContact CZ3-CE 3.72Å; W263-M265 HydrophobicContact CZ3-CG 4.21Å; W263-M265 HydrophobicContact CZ3-SD 3.96Å; M265-T267 VanDerWaalsContact C-N 3.29Å; M265-T267 HydrophobicContact CB-CG2 4.29Å; M265-T267 PolarHBondContact O-N 3.02Å; M265-T267 VanDerWaalsContact O-N 3.13Å; M265-T276 HydrophobicContact CE-CG2 3.98Å; M265-M277 HydrophobicContact SD-CB 3.86Å
266	A	97.9	Very high	98.1	Very high	15 Å²	15	34.3 Å²	34.3	12%	0.124	19%	0.19	C	C	.	.			trans	-82.7	75.5	169.7	0	0	0	0	0	109.5	Q239 R240 I268 T350	Q239-A266 HydrophobicContact CB-CB 4.49Å; R240-A266 HydrophobicContact CG-CB 4.44Å; A266-I268 VanDerWaalsContact C-N 3.35Å; A266-I268 WeakPolarHBondContact O-CG2 3.37Å; A266-I268 PolarHBondContact O-N 3.22Å; A266-T350 HydrophobicContact CB-CG2 3.83Å
267	T	97.3	Very high	98.1	Very high	18 Å²	18	28.6 Å²	28.6	11%	0.11	15%	0.153	C	C	.	.			trans	-67.1	87.7	-179.7	40.4	0	0	0	0	110.9	D238 R240 M265 M277	D238-T267 PolarHBondContact OD2-N 2.91Å; D238-T267 PolarHBondContact OD2-OG1 2.84Å; D238-T267 VanDerWaalsContact OD2-OG1 3.05Å; R240-T267 PolarHBondContact NH2-O 2.65Å; M265-T267 VanDerWaalsContact C-N 3.29Å; M265-T267 HydrophobicContact CB-CG2 4.29Å; M265-T267 PolarHBondContact O-N 3.02Å; M265-T267 VanDerWaalsContact O-N 3.13Å; T267-M277 HydrophobicContact CG2-CB 4.28Å; T267-M277 HydrophobicContact CG2-CG 4.4Å
268	I	97.4	Very high	98.2	Very high	8 Å²	8	28 Å²	28	4%	0.041	15%	0.15	C	C	.	.			trans	-73.7	158.1	177.5	64.3	-178.5	0	0	0	111.9	A266 G270 G271 E347 M352 I445	A266-I268 VanDerWaalsContact C-N 3.35Å; A266-I268 WeakPolarHBondContact O-CG2 3.37Å; A266-I268 PolarHBondContact O-N 3.22Å; I268-G270 PolarHBondContact O-N 2.74Å; I268-G271 PolarHBondContact O-N 3.3Å; I268-E347 HydrophobicContact CD1-CG 3.91Å; I268-M352 HydrophobicContact CD1-CG 4Å; I268-I445 HydrophobicContact CB-CG2 3.78Å; I268-I445 HydrophobicContact CD1-CG2 4.23Å; I268-I445 HydrophobicContact CG1-CG2 4.36Å; I268-I445 HydrophobicContact CG2-CG2 4.33Å
269	W	97.9	Very high	98.2	Very high	60 Å²	60	29 Å²	29	23%	0.227	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	127.5	174.3	-173	92.1	0	0	0	109.7	G271 L403 Y442 V446	W269-G271 PolarHBondContact O-N 2.84Å; W269-L403 HydrophobicContact CH2-CD1 3.8Å; W269-L403 HydrophobicContact CH2-CD2 4.01Å; W269-L403 HydrophobicContact CH2-CG 4.23Å; W269-L403 HydrophobicContact CZ2-CD1 4.37Å; W269-L403 HydrophobicContact CZ2-CD2 3.97Å; W269-L403 HydrophobicContact CZ3-CD1 4.44Å; W269-L403 HydrophobicContact CZ3-CD2 4.47Å; W269-Y442 HydrophobicContact CB-CD1 3.99Å; W269-Y442 HydrophobicContact CB-CE1 4.3Å; W269-Y442 HydrophobicContact CB-CG 4.24Å; W269-Y442 AromaticContact CD1-CE1 3.94Å; W269-Y442 AromaticContact CD1-CE2 3.72Å; W269-Y442 AromaticContact CD1-CZ 3.67Å; W269-Y442 HydrophobicContact CD2-CD1 4.22Å; W269-Y442 AromaticContact CD2-CD2 3.45Å; W269-Y442 HydrophobicContact CD2-CD2 3.45Å; W269-Y442 VanDerWaalsContact CD2-CD2 3.45Å; W269-Y442 AromaticContact CD2-CE2 3.91Å; W269-Y442 HydrophobicContact CD2-CE2 3.91Å; W269-Y442 AromaticContact CD2-CG 3.64Å; W269-Y442 HydrophobicContact CD2-CG 3.64Å; W269-Y442 AromaticContact CE2-CD2 3.48Å; W269-Y442 VanDerWaalsContact CE2-CD2 3.48Å; W269-Y442 AromaticContact CE2-CE2 3.6Å; W269-Y442 AromaticContact CE3-CD2 3.87Å; W269-Y442 HydrophobicContact CE3-CD2 3.87Å; W269-Y442 AromaticContact CE3-CG 3.89Å; W269-Y442 HydrophobicContact CE3-CG 3.89Å; W269-Y442 AromaticContact CG-CD1 3.85Å; W269-Y442 HydrophobicContact CG-CD1 3.85Å; W269-Y442 AromaticContact CG-CD2 3.85Å; W269-Y442 HydrophobicContact CG-CD2 3.85Å; W269-Y442 HydrophobicContact CG-CE1 4Å; W269-Y442 HydrophobicContact CG-CE2 4.01Å; W269-Y442 AromaticContact CG-CG 3.78Å; W269-Y442 HydrophobicContact CG-CG 3.78Å; W269-Y442 HydrophobicContact CH2-CD2 4.35Å; W269-Y442 AromaticContact CZ2-CD2 3.96Å; W269-Y442 HydrophobicContact CZ2-CD2 3.96Å; W269-Y442 HydrophobicContact CZ2-CE2 4.2Å; W269-Y442 HydrophobicContact CZ3-CD2 4.3Å; W269-Y442 AromaticContact NE1-CD2 3.81Å; W269-Y442 AromaticContact NE1-CE2 3.43Å; W269-Y442 AromaticContact NE1-CZ 3.83Å; W269-V446 HydrophobicContact CE3-CG1 4.13Å; W269-V446 HydrophobicContact CE3-CG2 4Å; W269-V446 HydrophobicContact CZ3-CG2 3.91Å; W269-V446 WeakPolarHBondContact O-CG1 3.47Å
270	G	94.7	Very high	98.2	Very high	6 Å²	6	30.9 Å²	30.9	6%	0.062	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-0.7	-176.9	0	0	0	0	0	116	I268 L403	I268-G270 PolarHBondContact O-N 2.74Å; G270-L403 PolarHBondContact O-N 2.76Å
271	G	97.5	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.			trans	-60.4	144.1	-175	0	0	0	0	0	114.8	I268 W269 S273 L274 E347 P404	I268-G271 PolarHBondContact O-N 3.3Å; W269-G271 PolarHBondContact O-N 2.84Å; G271-S273 PolarHBondContact O-N 3.14Å; G271-L274 PolarHBondContact O-N 2.7Å; G271-E347 VanDerWaalsContact C-OE2 3.25Å; G271-E347 VanDerWaalsContact CA-OE2 3.22Å; G271-E347 WeakPolarHBondContact CA-OE2 3.21Å; G271-P404 WeakPolarHBondContact O-CD 3.34Å
272	A	98.2	Very high	98.2	Very high	8 Å²	8	29.4 Å²	29.4	7%	0.066	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-35.9	166.6	0	0	0	0	0	111.4	L274 L275 T276 E347 M352	A272-L274 PolarHBondContact O-N 3.02Å; A272-L274 VanDerWaalsContact O-N 3.1Å; A272-L275 PolarHBondContact O-N 3.21Å; A272-L275 VanDerWaalsContact O-N 3.13Å; A272-T276 PolarHBondContact O-N 2.97Å; A272-T276 PolarHBondContact O-OG1 3.03Å; A272-E347 WeakPolarHBondContact CA-OE2 3.44Å; A272-E347 HydrophobicContact CB-CB 4.33Å; A272-E347 PolarHBondContact N-OE2 2.91Å; A272-M352 HydrophobicContact CB-CE 4.22Å; A272-M352 HydrophobicContact CB-SD 4.39Å
273	S	98.2	Very high	98.2	Very high	15 Å²	15	25.5 Å²	25.5	11%	0.105	13%	0.13	C	C	.	.	H	α-helix	trans	-56.2	-24.3	178.4	57.2	0	0	0	0	114.4	G271 T276 M277 E347	G271-S273 PolarHBondContact O-N 3.14Å; S273-T276 PolarHBondContact O-N 3.15Å; S273-M277 VanDerWaalsContact O-CB 3.26Å; S273-M277 WeakPolarHBondContact O-CB 3.17Å; S273-M277 PolarHBondContact O-N 3.35Å; S273-E347 VanDerWaalsContact CB-OE1 3.24Å; S273-E347 WeakPolarHBondContact CB-OE1 3.32Å; S273-E347 WeakPolarHBondContact CB-OE2 3.27Å; S273-E347 PolarHBondContact N-OE2 3.26Å; S273-E347 VanDerWaalsContact OG-CD 3.29Å; S273-E347 PolarHBondContact OG-OE1 3.42Å; S273-E347 PolarHBondContact OG-OE2 3.09Å; S273-E347 VanDerWaalsContact OG-OE2 3.13Å
274	L	98.6	Very high	98.2	Very high	31 Å²	31	26.3 Å²	26.3	16%	0.162	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-42	176.2	-177.8	62.6	0	0	0	112.3	V210 G271 A272 M277 Y278 A405	V210-L274 HydrophobicContact CG1-CD1 4.42Å; G271-L274 PolarHBondContact O-N 2.7Å; A272-L274 PolarHBondContact O-N 3.02Å; A272-L274 VanDerWaalsContact O-N 3.1Å; L274-M277 HydrophobicContact CD1-CE 3.75Å; L274-Y278 HydrophobicContact CD1-CD2 4.41Å; L274-Y278 HydrophobicContact CD1-CE2 3.78Å; L274-Y278 HydrophobicContact CD2-CE2 4.34Å; L274-Y278 HydrophobicContact CG-CD2 4.24Å; L274-Y278 HydrophobicContact CG-CE2 3.76Å; L274-Y278 WeakPolarHBondContact O-CD2 3.38Å; L274-Y278 PolarHBondContact O-N 3.07Å; L274-Y278 VanDerWaalsContact O-N 3.12Å; L274-A405 HydrophobicContact CD2-CB 4.19Å; L274-A405 HydrophobicContact CG-CB 4.36Å
275	L	98.8	Very high	98.3	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-70.3	-41.4	174.8	175.5	63.7	0	0	0	110.8	A272 M277 Y278 L279 Y398 P404 F408 F409	A272-L275 PolarHBondContact O-N 3.21Å; A272-L275 VanDerWaalsContact O-N 3.13Å; L275-M277 VanDerWaalsContact C-N 3.26Å; L275-M277 PolarHBondContact O-N 2.85Å; L275-Y278 PolarHBondContact O-N 3.18Å; L275-Y278 VanDerWaalsContact O-N 3.1Å; L275-L279 HydrophobicContact CD1-CD1 4.04Å; L275-L279 HydrophobicContact CD1-CD2 4.38Å; L275-L279 HydrophobicContact CD1-CG 3.87Å; L275-L279 HydrophobicContact CD2-CD1 4.32Å; L275-L279 HydrophobicContact CG-CD1 3.85Å; L275-L279 HydrophobicContact CG-CG 4.14Å; L275-L279 WeakPolarHBondContact O-CG 3.26Å; L275-L279 PolarHBondContact O-N 3.16Å; L275-Y398 HydrophobicContact CD2-CG 4.48Å; L275-P404 HydrophobicContact CB-CB 3.97Å; L275-P404 HydrophobicContact CB-CG 3.63Å; L275-P404 HydrophobicContact CD2-CB 3.98Å; L275-F408 HydrophobicContact CD1-CB 4.2Å; L275-F408 HydrophobicContact CD1-CD1 3.55Å; L275-F408 HydrophobicContact CD1-CE1 4.05Å; L275-F408 HydrophobicContact CD1-CG 3.85Å; L275-F408 HydrophobicContact CD2-CB 3.82Å; L275-F408 HydrophobicContact CD2-CD1 4.14Å; L275-F408 HydrophobicContact CD2-CD2 3.67Å; L275-F408 HydrophobicContact CD2-CE2 4.26Å; L275-F408 HydrophobicContact CD2-CG 3.6Å; L275-F408 HydrophobicContact CG-CG 4.4Å; L275-F409 HydrophobicContact CD1-CE2 3.61Å; L275-F409 HydrophobicContact CD1-CZ 3.7Å
276	T	98.8	Very high	98.3	Very high	72 Å²	72	23.3 Å²	23.3	44%	0.442	13%	0.125	S	C	.	.	H	α-helix	trans	-58.5	-39.4	176.7	-48.3	0	0	0	0	111.7	M265 A272 S273 R280	M265-T276 HydrophobicContact CE-CG2 3.98Å; A272-T276 PolarHBondContact O-N 2.97Å; A272-T276 PolarHBondContact O-OG1 3.03Å; S273-T276 PolarHBondContact O-N 3.15Å; T276-R280 VanDerWaalsContact O-CB 3.27Å; T276-R280 WeakPolarHBondContact O-CB 3.41Å; T276-R280 PolarHBondContact O-N 3.44Å
277	M	98.8	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-47.1	172.6	-179.9	-69.8	-60.5	0	0	111.6	V210 H236 W263 M265 T267 S273 L274 L275 R280 S281	V210-M277 HydrophobicContact CB-CE 4.31Å; V210-M277 HydrophobicContact CG1-CE 3.71Å; V210-M277 HydrophobicContact CG2-CE 3.55Å; V210-M277 HydrophobicContact CG2-SD 4.15Å; H236-M277 HydrophobicContact CB-CG 4.32Å; H236-M277 HydrophobicContact CB-SD 4.05Å; H236-M277 VanDerWaalsContact CD2-CG 3.42Å; H236-M277 WeakPolarHBondContact CD2-CG 3.36Å; W263-M277 HydrophobicContact CH2-CB 4.24Å; W263-M277 HydrophobicContact CH2-CG 3.77Å; W263-M277 WeakPolarHBondContact CH2-O 3.32Å; W263-M277 HydrophobicContact CH2-SD 4.41Å; W263-M277 HydrophobicContact CZ3-CB 4.12Å; W263-M277 HydrophobicContact CZ3-CG 3.78Å; M265-M277 HydrophobicContact SD-CB 3.86Å; T267-M277 HydrophobicContact CG2-CB 4.28Å; T267-M277 HydrophobicContact CG2-CG 4.4Å; S273-M277 VanDerWaalsContact O-CB 3.26Å; S273-M277 WeakPolarHBondContact O-CB 3.17Å; S273-M277 PolarHBondContact O-N 3.35Å; L274-M277 HydrophobicContact CD1-CE 3.75Å; L275-M277 VanDerWaalsContact C-N 3.26Å; L275-M277 PolarHBondContact O-N 2.85Å; M277-R280 PolarHBondContact O-N 3.33Å; M277-S281 WeakPolarHBondContact O-CB 3.38Å; M277-S281 PolarHBondContact O-N 2.95Å; M277-S281 PolarHBondContact O-OG 3.33Å
278	Y	98.9	Very high	98.4	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-62.8	-48.9	177.7	-74.1	-50.1	0	0	0	112.3	V210 L274 L275 R280 S281 M282 F296 N298 A405 F409	V210-Y278 HydrophobicContact CG2-CE1 3.81Å; L274-Y278 HydrophobicContact CD1-CD2 4.41Å; L274-Y278 HydrophobicContact CD1-CE2 3.78Å; L274-Y278 HydrophobicContact CD2-CE2 4.34Å; L274-Y278 HydrophobicContact CG-CD2 4.24Å; L274-Y278 HydrophobicContact CG-CE2 3.76Å; L274-Y278 WeakPolarHBondContact O-CD2 3.38Å; L274-Y278 PolarHBondContact O-N 3.07Å; L274-Y278 VanDerWaalsContact O-N 3.12Å; L275-Y278 PolarHBondContact O-N 3.18Å; L275-Y278 VanDerWaalsContact O-N 3.1Å; Y278-R280 VanDerWaalsContact C-N 3.33Å; Y278-R280 PolarHBondContact O-N 3.22Å; Y278-S281 PolarHBondContact O-N 2.86Å; Y278-M282 WeakPolarHBondContact O-CB 3.46Å; Y278-M282 VanDerWaalsContact O-CG 3.27Å; Y278-M282 WeakPolarHBondContact O-CG 3.14Å; Y278-M282 PolarHBondContact O-N 3.42Å; Y278-F296 HydrophobicContact CD1-CE1 4.44Å; Y278-F296 AromaticContact CD1-CZ 3.96Å; Y278-F296 HydrophobicContact CD1-CZ 3.96Å; Y278-N298 HydrophobicContact CE1-CB 3.72Å; Y278-N298 PolarHBondContact OH-ND2 2.93Å; Y278-A405 HydrophobicContact CD2-CB 4.08Å; Y278-A405 HydrophobicContact CE2-CB 3.9Å; Y278-F409 HydrophobicContact CD2-CE2 4.47Å
279	L	98.9	Very high	98.3	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.157	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-40.2	179.7	-68.1	175.1	0	0	0	111.8	L275 M282 A283 V383 I384 K395 F408	L275-L279 HydrophobicContact CD1-CD1 4.04Å; L275-L279 HydrophobicContact CD1-CD2 4.38Å; L275-L279 HydrophobicContact CD1-CG 3.87Å; L275-L279 HydrophobicContact CD2-CD1 4.32Å; L275-L279 HydrophobicContact CG-CD1 3.85Å; L275-L279 HydrophobicContact CG-CG 4.14Å; L275-L279 WeakPolarHBondContact O-CG 3.26Å; L275-L279 PolarHBondContact O-N 3.16Å; L279-M282 PolarHBondContact O-N 2.87Å; L279-A283 PolarHBondContact O-N 3.33Å; L279-V383 HydrophobicContact CD2-CG1 3.61Å; L279-I384 HydrophobicContact CB-CD1 4.24Å; L279-I384 HydrophobicContact CD2-CD1 3.92Å; L279-I384 VanDerWaalsContact O-CD1 3.23Å; L279-I384 WeakPolarHBondContact O-CD1 3.48Å; L279-K395 HydrophobicContact CD1-CG 4.45Å; L279-F408 HydrophobicContact CD1-CZ 4.42Å; L279-F408 HydrophobicContact CD2-CE1 3.91Å; L279-F408 HydrophobicContact CD2-CZ 4.11Å
280	R	98.8	Very high	98.3	Very high	117 Å²	117	39 Å²	39	44%	0.442	20%	0.202	S	C	.	.	H	α-helix	trans	-68.2	-40.7	175.5	-169.8	172.2	179.2	171.1	1.4	112.3	W263 T276 M277 Y278 M282 A283 D284	W263-R280 VanDerWaalsContact CD1-CZ 3.46Å; W263-R280 VanDerWaalsContact CD1-NE 3.27Å; W263-R280 HydrophobicContact CD2-CG 4.25Å; W263-R280 VanDerWaalsContact CE2-CD 3.46Å; W263-R280 HydrophobicContact CH2-CB 3.98Å; W263-R280 HydrophobicContact CH2-CG 4.22Å; W263-R280 HydrophobicContact CZ2-CB 3.79Å; W263-R280 HydrophobicContact CZ2-CG 3.62Å; T276-R280 VanDerWaalsContact O-CB 3.27Å; T276-R280 WeakPolarHBondContact O-CB 3.41Å; T276-R280 PolarHBondContact O-N 3.44Å; M277-R280 PolarHBondContact O-N 3.33Å; Y278-R280 VanDerWaalsContact C-N 3.33Å; Y278-R280 PolarHBondContact O-N 3.22Å; R280-M282 VanDerWaalsContact C-N 3.32Å; R280-M282 PolarHBondContact O-N 2.87Å; R280-A283 PolarHBondContact O-N 3.4Å; R280-D284 VanDerWaalsContact O-CG 3.27Å; R280-D284 PolarHBondContact O-N 3.49Å
281	S	98.9	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-38.8	175.5	-56.1	0	0	0	0	112.2	W263 M277 Y278 L285	W263-S281 WeakPolarHBondContact CH2-OG 3.42Å; M277-S281 WeakPolarHBondContact O-CB 3.38Å; M277-S281 PolarHBondContact O-N 2.95Å; M277-S281 PolarHBondContact O-OG 3.33Å; Y278-S281 PolarHBondContact O-N 2.86Å; S281-L285 VanDerWaalsContact O-CB 3.29Å; S281-L285 WeakPolarHBondContact O-CB 3.31Å; S281-L285 VanDerWaalsContact O-CG 3.22Å; S281-L285 WeakPolarHBondContact O-CG 3.03Å; S281-L285 PolarHBondContact O-N 3.05Å
282	M	98.9	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-44.2	173.9	-73.9	171.8	179.4	0	0	111.8	Y278 L279 R280 L285 L286 F296 F373 L375 V380 I384 F409	Y278-M282 WeakPolarHBondContact O-CB 3.46Å; Y278-M282 VanDerWaalsContact O-CG 3.27Å; Y278-M282 WeakPolarHBondContact O-CG 3.14Å; Y278-M282 PolarHBondContact O-N 3.42Å; L279-M282 PolarHBondContact O-N 2.87Å; R280-M282 VanDerWaalsContact C-N 3.32Å; R280-M282 PolarHBondContact O-N 2.87Å; M282-L285 PolarHBondContact O-N 2.8Å; M282-L286 WeakPolarHBondContact O-CG 2.98Å; M282-L286 PolarHBondContact O-N 3.3Å; M282-F296 HydrophobicContact CE-CD1 3.87Å; M282-F296 HydrophobicContact CE-CD2 3.97Å; M282-F296 HydrophobicContact CE-CE1 3.66Å; M282-F296 HydrophobicContact CE-CE2 3.73Å; M282-F296 HydrophobicContact CE-CG 4.05Å; M282-F296 HydrophobicContact CE-CZ 3.59Å; M282-F296 HydrophobicContact CG-CD2 3.73Å; M282-F296 HydrophobicContact CG-CE2 3.43Å; M282-F296 VanDerWaalsContact CG-CE2 3.43Å; M282-F296 HydrophobicContact CG-CZ 4.16Å; M282-F296 HydrophobicContact SD-CE2 4.47Å; M282-F373 HydrophobicContact CE-CE2 4.22Å; M282-L375 HydrophobicContact CE-CD1 4.04Å; M282-V380 HydrophobicContact CB-CG1 3.63Å; M282-V380 HydrophobicContact CE-CG2 4.34Å; M282-V380 HydrophobicContact CG-CG1 3.61Å; M282-V380 HydrophobicContact SD-CG1 3.94Å; M282-V380 HydrophobicContact SD-CG2 4.41Å; M282-I384 HydrophobicContact CB-CD1 3.82Å; M282-I384 HydrophobicContact CB-CG1 3.8Å; M282-F409 HydrophobicContact CE-CE1 3.69Å; M282-F409 HydrophobicContact CE-CZ 3.78Å; M282-F409 HydrophobicContact SD-CE1 3.95Å; M282-F409 HydrophobicContact SD-CZ 4.19Å
283	A	98.9	Very high	98.5	Very high	37 Å²	37	42.3 Å²	42.3	31%	0.306	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-45.5	176	0	0	0	0	0	112.4	L279 R280 L285 L286 A287 I384	L279-A283 PolarHBondContact O-N 3.33Å; R280-A283 PolarHBondContact O-N 3.4Å; A283-L285 PolarHBondContact O-N 2.86Å; A283-L286 PolarHBondContact O-N 3.26Å; A283-A287 PolarHBondContact O-N 2.88Å; A283-A287 VanDerWaalsContact O-N 3.09Å; A283-I384 HydrophobicContact CB-CG2 3.93Å
284	D	98.9	Very high	98.6	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.214	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-47.3	174.2	-69.3	-10.3	0	0	0	110.9	Y234 W263 R280 L286 A287 M288	Y234-D284 HydrophobicContact CE1-CB 3.65Å; Y234-D284 WeakPolarHBondContact CE1-OD2 3.26Å; Y234-D284 PolarHBondContact OH-OD2 3.49Å; W263-D284 PolarHBondContact NE1-OD2 3.35Å; R280-D284 VanDerWaalsContact O-CG 3.27Å; R280-D284 PolarHBondContact O-N 3.49Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 2.93Å; D284-A287 PolarHBondContact O-N 3.48Å; D284-A287 VanDerWaalsContact O-N 3.13Å; D284-M288 HydrophobicContact CB-CE 4.19Å; D284-M288 WeakPolarHBondContact O-CG 3.44Å; D284-M288 PolarHBondContact O-N 3.1Å
285	L	98.9	Very high	98.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-30.7	179.3	-79.5	171.8	0	0	0	113.9	A206 V208 Y234 S281 M282 A283 M288 W291 W293 F296	A206-L285 HydrophobicContact CB-CD1 4.1Å; A206-L285 HydrophobicContact CB-CD2 4.16Å; V208-L285 HydrophobicContact CG2-CD1 3.62Å; Y234-L285 HydrophobicContact CD1-CD2 4.4Å; Y234-L285 HydrophobicContact CD1-CG 4.09Å; S281-L285 VanDerWaalsContact O-CB 3.29Å; S281-L285 WeakPolarHBondContact O-CB 3.31Å; S281-L285 VanDerWaalsContact O-CG 3.22Å; S281-L285 WeakPolarHBondContact O-CG 3.03Å; S281-L285 PolarHBondContact O-N 3.05Å; M282-L285 PolarHBondContact O-N 2.8Å; A283-L285 PolarHBondContact O-N 2.86Å; L285-M288 HydrophobicContact CD2-SD 4.44Å; L285-W291 HydrophobicContact CD2-CE3 3.68Å; L285-W291 HydrophobicContact CD2-CZ3 3.9Å; L285-W293 HydrophobicContact CB-CZ2 3.86Å; L285-W293 PolarHBondContact O-NE1 3.46Å; L285-F296 HydrophobicContact CD1-CD2 4.01Å; L285-F296 HydrophobicContact CD1-CE2 4.17Å
286	L	98.8	Very high	98.6	Very high	24 Å²	24	41.9 Å²	41.9	13%	0.126	22%	0.219	C	C	.	.	H	α-helix	trans	-73	-33.1	172.5	-71.2	169.4	0	0	0	111.6	M282 A283 D284 W293 R377 V380 E381 I384	M282-L286 WeakPolarHBondContact O-CG 2.98Å; M282-L286 PolarHBondContact O-N 3.3Å; A283-L286 PolarHBondContact O-N 3.26Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 2.93Å; L286-W293 HydrophobicContact CD2-CH2 4.12Å; L286-W293 HydrophobicContact CD2-CZ2 3.8Å; L286-W293 HydrophobicContact CG-CZ2 4.14Å; L286-R377 HydrophobicContact CD2-CG 4.2Å; L286-V380 HydrophobicContact CD1-CG1 4.34Å; L286-E381 HydrophobicContact CD1-CB 4.44Å; L286-E381 HydrophobicContact CD2-CB 4.17Å; L286-I384 HydrophobicContact CD1-CB 3.8Å; L286-I384 HydrophobicContact CD1-CG1 3.93Å; L286-I384 HydrophobicContact CD1-CG2 4.12Å
287	A	98.6	Very high	98.6	Very high	74 Å²	74	38.4 Å²	38.4	61%	0.612	20%	0.198	S	C	*	.	H	α-helix	trans	-76.2	-25.6	178.7	0	0	0	0	0	114	A283 D284 R289	A283-A287 PolarHBondContact O-N 2.88Å; A283-A287 VanDerWaalsContact O-N 3.09Å; D284-A287 PolarHBondContact O-N 3.48Å; D284-A287 VanDerWaalsContact O-N 3.13Å; A287-R289 VanDerWaalsContact C-N 3.33Å; A287-R289 PolarHBondContact O-N 3.18Å
288	M	98.4	Very high	98.6	Very high	28 Å²	28	38.4 Å²	38.4	14%	0.138	20%	0.198	C	C	.	.			trans	-69.4	81.8	175	-69.6	179.2	-156.2	0	0	111.8	Y234 R259 D284 L285 D290 W291	Y234-M288 HydrophobicContact CD2-CE 4.19Å; Y234-M288 HydrophobicContact CE1-CE 4.17Å; Y234-M288 HydrophobicContact CE2-CE 3.77Å; R259-M288 PolarHBondContact NH1-SD 3.35Å; D284-M288 HydrophobicContact CB-CE 4.19Å; D284-M288 WeakPolarHBondContact O-CG 3.44Å; D284-M288 PolarHBondContact O-N 3.1Å; L285-M288 HydrophobicContact CD2-SD 4.44Å; M288-D290 PolarHBondContact O-N 3.03Å; M288-D290 VanDerWaalsContact O-N 3.15Å; M288-W291 HydrophobicContact CB-CB 4.04Å; M288-W291 HydrophobicContact CB-CG 4.29Å; M288-W291 PolarHBondContact O-N 3.29Å; M288-W291 HydrophobicContact SD-CD2 3.93Å; M288-W291 HydrophobicContact SD-CE3 3.58Å; M288-W291 VanDerWaalsContact SD-CE3 3.58Å; M288-W291 HydrophobicContact SD-CZ3 3.94Å
289	R	96.8	Very high	98.6	Very high	237 Å²	237	38.4 Å²	38.4	89%	0.894	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.9	-178	-65.3	-174.9	-179.8	-174.3	-0.7	114.5	A287 W291	A287-R289 VanDerWaalsContact C-N 3.33Å; A287-R289 PolarHBondContact O-N 3.18Å; R289-W291 VanDerWaalsContact C-N 3.29Å
290	D	97.8	Very high	98.6	Very high	91 Å²	91	37.6 Å²	37.6	49%	0.487	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.1	174.8	68.9	-51.9	0	0	0	113.1	R259 M288	R259-D290 IonicContact CZ-OD1 3.51Å; R259-D290 IonicContact CZ-OD2 3.71Å; R259-D290 IonicContact NH1-OD1 3.55Å; R259-D290 PolarHBondContact NH1-OD1 3.18Å; R259-D290 IonicContact NH1-OD2 2.87Å; R259-D290 PolarHBondContact NH1-OD2 2.69Å; R259-D290 IonicContact NH2-OD1 2.67Å; R259-D290 IonicContact NH2-OD2 3.71Å; R259-D290 PolarHBondContact NH2-OD2 3.22Å; M288-D290 PolarHBondContact O-N 3.03Å; M288-D290 VanDerWaalsContact O-N 3.15Å
291	W	98.4	Very high	98.6	Very high	6 Å²	6	32.8 Å²	32.8	2%	0.023	18%	0.18	C	C	.	.			trans	-104.9	84.9	-179.1	-74.6	14.8	0	0	0	111.1	F232 N257 R259 L285 M288 R289 W293	F232-W291 HydrophobicContact CB-CD2 3.85Å; F232-W291 HydrophobicContact CB-CE3 3.55Å; F232-W291 HydrophobicContact CB-CH2 4.04Å; F232-W291 HydrophobicContact CB-CZ2 4.33Å; F232-W291 HydrophobicContact CB-CZ3 3.66Å; F232-W291 HydrophobicContact CD1-CB 3.86Å; F232-W291 AromaticContact CD1-CD1 3.5Å; F232-W291 VanDerWaalsContact CD1-CD1 3.5Å; F232-W291 AromaticContact CD1-CD2 3.4Å; F232-W291 HydrophobicContact CD1-CD2 3.4Å; F232-W291 VanDerWaalsContact CD1-CD2 3.4Å; F232-W291 AromaticContact CD1-CE2 3.59Å; F232-W291 HydrophobicContact CD1-CE3 4.04Å; F232-W291 AromaticContact CD1-CG 3.33Å; F232-W291 HydrophobicContact CD1-CG 3.33Å; F232-W291 HydrophobicContact CD1-CZ2 4.3Å; F232-W291 AromaticContact CD1-NE1 3.65Å; F232-W291 HydrophobicContact CD2-CB 4.49Å; F232-W291 HydrophobicContact CE1-CB 3.72Å; F232-W291 AromaticContact CE1-CD1 3.46Å; F232-W291 VanDerWaalsContact CE1-CD1 3.46Å; F232-W291 HydrophobicContact CE1-CD2 4.1Å; F232-W291 AromaticContact CE1-CG 3.49Å; F232-W291 HydrophobicContact CE1-CG 3.49Å; F232-W291 VanDerWaalsContact CE1-CG 3.49Å; F232-W291 AromaticContact CE1-NE1 4Å; F232-W291 HydrophobicContact CE2-CB 4.38Å; F232-W291 HydrophobicContact CG-CB 4.22Å; F232-W291 AromaticContact CG-CD2 3.8Å; F232-W291 HydrophobicContact CG-CD2 3.8Å; F232-W291 AromaticContact CG-CE3 3.96Å; F232-W291 HydrophobicContact CG-CE3 3.96Å; F232-W291 AromaticContact CG-CG 3.96Å; F232-W291 HydrophobicContact CG-CG 3.96Å; F232-W291 HydrophobicContact CZ-CB 3.96Å; F232-W291 HydrophobicContact CZ-CG 4.25Å; N257-W291 WeakPolarHBondContact O-CZ2 3.42Å; R259-W291 HydrophobicContact CB-CH2 3.69Å; R259-W291 HydrophobicContact CB-CZ2 4.16Å; R259-W291 HydrophobicContact CB-CZ3 4.46Å; R259-W291 VanDerWaalsContact CD-CZ2 3.45Å; R259-W291 HydrophobicContact CG-CH2 3.65Å; R259-W291 HydrophobicContact CG-CZ2 3.57Å; L285-W291 HydrophobicContact CD2-CE3 3.68Å; L285-W291 HydrophobicContact CD2-CZ3 3.9Å; M288-W291 HydrophobicContact CB-CB 4.04Å; M288-W291 HydrophobicContact CB-CG 4.29Å; M288-W291 PolarHBondContact O-N 3.29Å; M288-W291 HydrophobicContact SD-CD2 3.93Å; M288-W291 HydrophobicContact SD-CE3 3.58Å; M288-W291 VanDerWaalsContact SD-CE3 3.58Å; M288-W291 HydrophobicContact SD-CZ3 3.94Å; R289-W291 VanDerWaalsContact C-N 3.29Å; W291-W293 PolarHBondContact O-N 3.18Å; W291-W293 VanDerWaalsContact O-N 3.1Å
292	S	97.7	Very high	98.6	Very high	73 Å²	73	33.3 Å²	33.3	51%	0.51	19%	0.185	S	C	.	.			trans	-77.3	88.3	174	-40.3	0	0	0	0	111.3	R204 F232	R204-S292 WeakPolarHBondContact CB-O 3.44Å; R204-S292 WeakPolarHBondContact CD-O 3.36Å; F232-S292 WeakPolarHBondContact CE2-O 3.19Å
293	W	98.7	Very high	98.6	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.019	19%	0.185	C	C	.	.			trans	-110.4	146.6	178.6	58.4	-93.4	0	0	0	113.1	R204 A206 F232 L285 L286 W291 F296 R377 V380	R204-W293 CarbonylContact O-C 3.49Å; R204-W293 WeakPolarHBondContact O-CA 3.26Å; A206-W293 HydrophobicContact CB-CB 3.85Å; A206-W293 HydrophobicContact CB-CD2 3.9Å; A206-W293 HydrophobicContact CB-CE3 4.29Å; A206-W293 HydrophobicContact CB-CG 3.68Å; F232-W293 HydrophobicContact CD2-CB 3.84Å; F232-W293 HydrophobicContact CE2-CB 3.83Å; L285-W293 HydrophobicContact CB-CZ2 3.86Å; L285-W293 PolarHBondContact O-NE1 3.46Å; L286-W293 HydrophobicContact CD2-CH2 4.12Å; L286-W293 HydrophobicContact CD2-CZ2 3.8Å; L286-W293 HydrophobicContact CG-CZ2 4.14Å; W291-W293 PolarHBondContact O-N 3.18Å; W291-W293 VanDerWaalsContact O-N 3.1Å; W293-F296 HydrophobicContact CZ3-CB 4.28Å; W293-R377 VanDerWaalsContact CE2-NH1 3.28Å; W293-R377 HydrophobicContact CE3-CB 4.13Å; W293-R377 HydrophobicContact CE3-CG 4.25Å; W293-R377 HydrophobicContact CH2-CB 4.22Å; W293-R377 HydrophobicContact CH2-CG 3.84Å; W293-R377 HydrophobicContact CZ2-CG 4.29Å; W293-R377 HydrophobicContact CZ3-CB 3.74Å; W293-R377 HydrophobicContact CZ3-CG 3.84Å; W293-R377 WeakPolarHBondContact O-CD 3.43Å; W293-R377 PolarHBondContact O-NH1 3.02Å; W293-V380 HydrophobicContact CH2-CB 4.05Å; W293-V380 HydrophobicContact CH2-CG1 3.84Å; W293-V380 HydrophobicContact CH2-CG2 4.46Å
294	D	98.8	Very high	98.6	Very high	43 Å²	43	31.6 Å²	31.6	23%	0.23	17%	0.17	C	C	.	.	S	Bend	trans	-97	-37	178	-60.1	-94.7	0	0	0	113	V203 R204 R320 N376 R377	V203-D294 VanDerWaalsContact CA-OD2 3.32Å; V203-D294 WeakPolarHBondContact CA-OD2 3.49Å; V203-D294 HydrophobicContact CB-CB 3.91Å; V203-D294 HydrophobicContact CG1-CB 3.87Å; R204-D294 PolarHBondContact N-OD2 2.8Å; R204-D294 PolarHBondContact O-N 3.27Å; D294-R320 IonicContact OD1-CZ 3.34Å; D294-R320 IonicContact OD1-NH2 2.67Å; D294-R320 PolarHBondContact OD1-NH2 2.92Å; D294-N376 CarbonylContact O-C 3.59Å; D294-N376 WeakPolarHBondContact O-CA 3.36Å; D294-R377 PolarHBondContact O-N 2.99Å
295	F	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.2	-175.3	-85	-81.6	0	0	0	113.1	V203 A206 L316 R320 F324 L374 L375 N376	V203-F295 HydrophobicContact CB-CD2 4.35Å; V203-F295 HydrophobicContact CG1-CD2 4.22Å; V203-F295 HydrophobicContact CG1-CE2 4.21Å; V203-F295 HydrophobicContact CG2-CD2 4.41Å; A206-F295 PolarHBondContact N-O 3.2Å; F295-L316 HydrophobicContact CD1-CD2 4.44Å; F295-L316 HydrophobicContact CD2-CB 4.03Å; F295-L316 HydrophobicContact CD2-CD1 4.22Å; F295-L316 HydrophobicContact CD2-CD2 4.44Å; F295-L316 HydrophobicContact CD2-CG 4.47Å; F295-L316 HydrophobicContact CE1-CD2 4.12Å; F295-L316 HydrophobicContact CE2-CB 3.78Å; F295-L316 HydrophobicContact CE2-CD2 4.1Å; F295-L316 HydrophobicContact CE2-CG 4.37Å; F295-L316 WeakPolarHBondContact CE2-O 3.35Å; F295-L316 HydrophobicContact CG-CD1 4.32Å; F295-L316 HydrophobicContact CZ-CB 4.42Å; F295-L316 HydrophobicContact CZ-CD2 3.93Å; F295-R320 HydrophobicContact CE2-CB 4.36Å; F295-R320 WeakPolarHBondContact CZ-O 3.4Å; F295-F324 HydrophobicContact CE1-CD2 4.22Å; F295-F324 HydrophobicContact CE1-CE2 4.16Å; F295-F324 HydrophobicContact CZ-CE2 4.25Å; F295-L374 HydrophobicContact CD1-CB 4.45Å; F295-L375 WeakPolarHBondContact CA-O 3.36Å; F295-L375 WeakPolarHBondContact CD1-O 3.37Å; F295-N376 HydrophobicContact CD1-CB 4.28Å; F295-N376 HydrophobicContact CE1-CB 3.92Å; F295-N376 HydrophobicContact CZ-CB 4.28Å
296	F	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.8	164.3	-179.7	-76.4	0	0	0	109.5	A206 V208 Y278 M282 L285 W293 N298 F373 L374 L375 V380	A206-F296 WeakPolarHBondContact O-CA 3.44Å; V208-F296 HydrophobicContact CB-CE1 4.5Å; V208-F296 HydrophobicContact CB-CE2 4.07Å; V208-F296 HydrophobicContact CB-CZ 3.83Å; V208-F296 HydrophobicContact CG1-CZ 4.33Å; V208-F296 HydrophobicContact CG2-CD2 3.98Å; V208-F296 HydrophobicContact CG2-CE2 3.34Å; V208-F296 HydrophobicContact CG2-CZ 3.66Å; Y278-F296 HydrophobicContact CD1-CE1 4.44Å; Y278-F296 AromaticContact CD1-CZ 3.96Å; Y278-F296 HydrophobicContact CD1-CZ 3.96Å; M282-F296 HydrophobicContact CE-CD1 3.87Å; M282-F296 HydrophobicContact CE-CD2 3.97Å; M282-F296 HydrophobicContact CE-CE1 3.66Å; M282-F296 HydrophobicContact CE-CE2 3.73Å; M282-F296 HydrophobicContact CE-CG 4.05Å; M282-F296 HydrophobicContact CE-CZ 3.59Å; M282-F296 HydrophobicContact CG-CD2 3.73Å; M282-F296 HydrophobicContact CG-CE2 3.43Å; M282-F296 VanDerWaalsContact CG-CE2 3.43Å; M282-F296 HydrophobicContact CG-CZ 4.16Å; M282-F296 HydrophobicContact SD-CE2 4.47Å; L285-F296 HydrophobicContact CD1-CD2 4.01Å; L285-F296 HydrophobicContact CD1-CE2 4.17Å; W293-F296 HydrophobicContact CZ3-CB 4.28Å; F296-N298 HydrophobicContact CE1-CB 4.12Å; F296-F373 HydrophobicContact CD1-CD2 4.43Å; F296-F373 AromaticContact CD1-CE2 3.95Å; F296-F373 HydrophobicContact CD1-CE2 3.95Å; F296-F373 HydrophobicContact CE1-CD2 4.5Å; F296-F373 AromaticContact CE1-CE2 3.68Å; F296-F373 HydrophobicContact CE1-CE2 3.68Å; F296-F373 HydrophobicContact CE1-CZ 4.49Å; F296-L374 WeakPolarHBondContact O-CA 3.37Å; F296-L375 PolarHBondContact N-O 3.03Å; F296-L375 PolarHBondContact O-N 2.76Å; F296-V380 HydrophobicContact CB-CG2 4.12Å
297	I	98.9	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.9	173	-54.5	-173.9	0	0	0	109.8	I205 A206 F207 V208 L299 L312 L316 L374 F473	I205-I297 HydrophobicContact CD1-CD1 4.17Å; I205-I297 HydrophobicContact CG2-CB 4.33Å; I205-I297 HydrophobicContact CG2-CD1 3.55Å; I205-I297 HydrophobicContact CG2-CG1 3.74Å; A206-I297 PolarHBondContact O-N 2.86Å; F207-I297 CarbonylContact C-O 3.54Å; F207-I297 WeakPolarHBondContact CA-O 3.43Å; F207-I297 HydrophobicContact CD1-CB 3.97Å; F207-I297 HydrophobicContact CD1-CG2 4.14Å; F207-I297 HydrophobicContact CE1-CB 4.17Å; F207-I297 HydrophobicContact CE1-CD1 3.95Å; F207-I297 HydrophobicContact CE1-CG2 4.17Å; F207-I297 HydrophobicContact CZ-CD1 4.37Å; V208-I297 PolarHBondContact N-O 3Å; I297-L299 HydrophobicContact CG2-CG 4.39Å; I297-L312 HydrophobicContact CD1-CD2 4.47Å; I297-L316 HydrophobicContact CD1-CD1 4.18Å; I297-L374 HydrophobicContact CD1-CD2 3.46Å; I297-L374 VanDerWaalsContact CD1-CD2 3.46Å; I297-L374 HydrophobicContact CD1-CG 4.01Å; I297-L374 HydrophobicContact CG1-CB 4.18Å; I297-L374 HydrophobicContact CG1-CD2 3.81Å; I297-L374 HydrophobicContact CG1-CG 3.82Å; I297-L374 HydrophobicContact CG2-CG 4.26Å; I297-F473 HydrophobicContact CG2-CE2 4.43Å
298	N	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.1	172	62.5	-14.6	0	0	0	113.2	V208 Y278 F296 D371 W372 F373 R428	V208-N298 WeakPolarHBondContact O-CA 3.46Å; Y278-N298 HydrophobicContact CE1-CB 3.72Å; Y278-N298 PolarHBondContact OH-ND2 2.93Å; F296-N298 HydrophobicContact CE1-CB 4.12Å; N298-D371 PolarHBondContact ND2-O 2.93Å; N298-W372 HydrophobicContact CB-CE3 4.3Å; N298-W372 HydrophobicContact CB-CZ3 4.13Å; N298-F373 PolarHBondContact OD1-N 3.24Å; N298-F373 PolarHBondContact OD1-O 3.16Å; N298-R428 VanDerWaalsContact O-CZ 3.31Å; N298-R428 PolarHBondContact O-NH1 2.91Å; N298-R428 PolarHBondContact O-NH2 2.82Å; N298-R428 PolarHBondContact OD1-NH2 3.43Å
299	L	98.9	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.7	173.4	-63.4	169.2	0	0	0	110.6	F207 V208 L209 V210 I226 I297 D303 F473	F207-L299 HydrophobicContact CD1-CD1 3.74Å; F207-L299 HydrophobicContact CE1-CD1 4.03Å; V208-L299 PolarHBondContact O-N 2.71Å; L209-L299 WeakPolarHBondContact CA-O 3.18Å; L209-L299 HydrophobicContact CD2-CB 3.79Å; L209-L299 HydrophobicContact CD2-CD1 4Å; L209-L299 HydrophobicContact CD2-CG 4.38Å; V210-L299 PolarHBondContact N-O 3.43Å; I226-L299 HydrophobicContact CD1-CD1 3.76Å; I297-L299 HydrophobicContact CG2-CG 4.39Å; L299-D303 HydrophobicContact CB-CB 4.33Å; L299-D303 HydrophobicContact CD2-CB 3.78Å; L299-F473 HydrophobicContact CD1-CD1 4.31Å; L299-F473 HydrophobicContact CD1-CE1 3.92Å; L299-F473 HydrophobicContact CD1-CZ 4.43Å; L299-F473 HydrophobicContact CD2-CB 4.34Å; L299-F473 HydrophobicContact CD2-CD1 3.66Å; L299-F473 HydrophobicContact CD2-CD2 4.44Å; L299-F473 HydrophobicContact CD2-CE1 4.05Å; L299-F473 HydrophobicContact CD2-CG 3.89Å
300	S	98.8	Very high	98.1	Very high	13 Å²	13	20.8 Å²	20.8	9%	0.091	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	167.5	166.2	73.3	0	0	0	0	111.2	L222 A302 D303 R475	L222-S300 VanDerWaalsContact CD2-O 3.32Å; L222-S300 WeakPolarHBondContact CD2-O 3.27Å; S300-A302 PolarHBondContact O-N 2.86Å; S300-A302 PolarHBondContact OG-N 2.8Å; S300-D303 WeakPolarHBondContact CB-OD2 3.16Å; S300-D303 PolarHBondContact N-OD2 2.76Å; S300-D303 PolarHBondContact O-N 2.9Å; S300-D303 PolarHBondContact OG-OD2 3.46Å; S300-R475 PolarHBondContact OG-NH2 3.18Å
301	A	98.3	Very high	97.9	Very high	16 Å²	16	18.3 Å²	18.3	13%	0.132	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.1	173.3	0	0	0	0	0	114.1	I211 F219	I211-A301 HydrophobicContact CB-CB 4.16Å; I211-A301 HydrophobicContact CG2-CB 3.74Å; F219-A301 HydrophobicContact CB-CB 4.29Å; F219-A301 HydrophobicContact CD2-CB 4.25Å
302	A	98.6	Very high	97.9	Very high	12 Å²	12	18.4 Å²	18.4	10%	0.099	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	9.8	177.8	0	0	0	0	0	113.3	S300 K476 F477	S300-A302 PolarHBondContact O-N 2.86Å; S300-A302 PolarHBondContact OG-N 2.8Å; A302-K476 HydrophobicContact CB-CB 4.18Å; A302-K476 HydrophobicContact CB-CG 4.2Å; A302-K476 CarbonylContact O-C 3.58Å; A302-K476 VanDerWaalsContact O-CA 3.27Å; A302-K476 WeakPolarHBondContact O-CA 3.46Å; A302-F477 WeakPolarHBondContact CA-O 3.42Å; A302-F477 WeakPolarHBondContact CB-O 3.2Å; A302-F477 PolarHBondContact O-N 3.37Å
303	D	98.9	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	158.3	164.9	-71.2	-116.5	0	0	0	109.7	L222 L299 S300 R428 A474 R475	L222-D303 WeakPolarHBondContact CD1-O 3.38Å; L222-D303 WeakPolarHBondContact CD2-O 3.23Å; L299-D303 HydrophobicContact CB-CB 4.33Å; L299-D303 HydrophobicContact CD2-CB 3.78Å; S300-D303 WeakPolarHBondContact CB-OD2 3.16Å; S300-D303 PolarHBondContact N-OD2 2.76Å; S300-D303 PolarHBondContact O-N 2.9Å; S300-D303 PolarHBondContact OG-OD2 3.46Å; D303-R428 IonicContact OD1-NH1 3.59Å; D303-R428 PolarHBondContact OD1-NH1 2.84Å; D303-A474 CarbonylContact C-O 3.57Å; D303-A474 WeakPolarHBondContact CA-O 3.41Å; D303-R475 HydrophobicContact CB-CB 4.49Å; D303-R475 WeakPolarHBondContact OD1-CD 3.36Å; D303-R475 IonicContact OD1-NE 3.28Å; D303-R475 IonicContact OD2-CZ 2.68Å; D303-R475 IonicContact OD2-NE 2.65Å; D303-R475 PolarHBondContact OD2-NE 2.9Å; D303-R475 IonicContact OD2-NH2 3.95Å
304	Y	98.9	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.7	166.9	-143.8	-101.9	0	0	0	110.4	R221 L222 A225 F473 A474 F477 V486 L489 D490	R221-Y304 HydrophobicContact CG-CE2 4.42Å; R221-Y304 WeakPolarHBondContact CG-OH 3.5Å; L222-Y304 HydrophobicContact CB-CD2 4.31Å; L222-Y304 HydrophobicContact CB-CE2 4.31Å; L222-Y304 HydrophobicContact CD1-CD2 4.1Å; A225-Y304 HydrophobicContact CB-CE1 4.33Å; Y304-F473 CarbonylContact O-C 3.56Å; Y304-F473 WeakPolarHBondContact O-CA 3.37Å; Y304-A474 PolarHBondContact N-O 3.06Å; Y304-A474 PolarHBondContact O-N 2.77Å; Y304-F477 VanDerWaalsContact CB-CE2 3.42Å; Y304-V486 HydrophobicContact CD2-CG1 4.27Å; Y304-V486 HydrophobicContact CE1-CG1 4.47Å; Y304-V486 HydrophobicContact CE2-CG1 3.84Å; Y304-L489 HydrophobicContact CD1-CD2 3.74Å; Y304-L489 HydrophobicContact CD1-CG 4.06Å; Y304-L489 HydrophobicContact CG-CD2 4.39Å; Y304-D490 HydrophobicContact CE1-CB 4.34Å; Y304-D490 PolarHBondContact OH-OD1 3.48Å
305	P	98.8	Very high	97.5	Very high	6 Å²	6	13.9 Å²	13.9	4%	0.039	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	146.9	169	26.4	-35.1	0	0	0	111.1	A225 I226 F472 F473 L493	A225-P305 HydrophobicContact CB-CG 3.91Å; I226-P305 HydrophobicContact CG2-CB 4.43Å; I226-P305 HydrophobicContact CG2-CG 3.97Å; P305-F472 CarbonylContact C-O 3.52Å; P305-F472 WeakPolarHBondContact CA-O 3.44Å; P305-F473 HydrophobicContact CB-CD1 4.17Å; P305-F473 HydrophobicContact CB-CE1 4.09Å; P305-L493 HydrophobicContact CB-CD1 4.38Å; P305-L493 HydrophobicContact CG-CD1 4.38Å; P305-L493 VanDerWaalsContact O-CD1 3.3Å; P305-L493 WeakPolarHBondContact O-CD1 3.46Å
306	I	98.4	Very high	97.5	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.015	8%	0.078	C	C	.	.	S	Bend	trans	-121.3	3.1	171.9	59	167.4	0	0	0	113	I429 F464 F472 A474 L489	I306-I429 HydrophobicContact CD1-CD1 3.49Å; I306-I429 VanDerWaalsContact CD1-CD1 3.49Å; I306-I429 HydrophobicContact CD1-CG1 3.85Å; I306-F464 HydrophobicContact CB-CB 4.21Å; I306-F464 HydrophobicContact CG2-CB 4.08Å; I306-F464 HydrophobicContact CG2-CD1 3.7Å; I306-F464 HydrophobicContact CG2-CE1 4.28Å; I306-F464 HydrophobicContact CG2-CG 3.85Å; I306-F472 VanDerWaalsContact CG1-C 3.46Å; I306-F472 PolarHBondContact N-O 3.29Å; I306-A474 HydrophobicContact CG2-CB 3.62Å; I306-L489 HydrophobicContact CG2-CD1 4.22Å; I306-L489 HydrophobicContact CG2-CD2 3.98Å
307	R	96.8	Very high	97.4	Very high	23 Å²	23	14.7 Å²	14.7	9%	0.087	8%	0.084	C	C	.	.	S	Bend	trans	-142.9	159.9	172	-73.7	-171.1	-176.2	-104.3	-3.4	108.7	E192 Q466 T471 F472	E192-R307 IonicContact OE1-CZ 3.53Å; E192-R307 IonicContact OE1-NH1 2.84Å; E192-R307 PolarHBondContact OE1-NH1 3Å; E192-R307 IonicContact OE1-NH2 3.4Å; E192-R307 PolarHBondContact OE1-NH2 3.32Å; R307-Q466 PolarHBondContact NH2-O 2.98Å; R307-T471 VanDerWaalsContact CD-O 3.24Å; R307-T471 WeakPolarHBondContact CD-O 3.38Å; R307-T471 PolarHBondContact NE-O 2.89Å; R307-F472 HydrophobicContact CB-CD1 3.65Å; R307-F472 HydrophobicContact CB-CE1 4.14Å; R307-F472 HydrophobicContact CG-CD1 4.34Å
308	N	94.6	Very high	97.1	Very high	52 Å²	52	19.9 Å²	19.9	28%	0.278	11%	0.106	S	C	.	.			trans	-77.6	165.1	-174.8	74.4	46.5	0	0	0	112.5	N310 Q311 L312 F494	N308-N310 VanDerWaalsContact C-N 3.28Å; N308-N310 PolarHBondContact O-N 2.94Å; N308-N310 PolarHBondContact OD1-N 3.13Å; N308-Q311 VanDerWaalsContact N-OE1 3.16Å; N308-Q311 PolarHBondContact O-N 2.71Å; N308-Q311 WeakPolarHBondContact OD1-CG 3.34Å; N308-Q311 PolarHBondContact OD1-N 3.05Å; N308-L312 PolarHBondContact O-N 2.84Å; N308-F494 HydrophobicContact CB-CE1 4.46Å
309	N	96.8	Very high	97	Very high	16 Å²	16	21.6 Å²	21.6	9%	0.086	11%	0.114	C	C	.	.	H	α-helix	trans	-58	-38	-179.4	171.5	75.6	0	0	0	112.9	H231 L312 V313	H231-N309 PolarHBondContact CD2-OD1 3.32Å; H231-N309 PolarHBondContact NE2-OD1 2.86Å; N309-L312 PolarHBondContact O-N 3.44Å; N309-V313 WeakPolarHBondContact O-CG2 3.38Å; N309-V313 PolarHBondContact O-N 2.67Å
310	N	94.6	Very high	96.9	Very high	77 Å²	77	25 Å²	25	41%	0.412	13%	0.127	S	C	.	.	H	α-helix	trans	-71.2	-41.3	-173.4	-60.7	-0.1	0	0	0	110.5	N308 L312 V313 A314	N308-N310 VanDerWaalsContact C-N 3.28Å; N308-N310 PolarHBondContact O-N 2.94Å; N308-N310 PolarHBondContact OD1-N 3.13Å; N310-L312 VanDerWaalsContact C-N 3.34Å; N310-L312 PolarHBondContact O-N 3.13Å; N310-V313 PolarHBondContact O-N 3.1Å; N310-A314 VanDerWaalsContact O-CB 3.32Å; N310-A314 WeakPolarHBondContact O-CB 3.37Å; N310-A314 PolarHBondContact O-N 3.48Å
311	Q	94.8	Very high	96.9	Very high	40 Å²	40	29.9 Å²	29.9	19%	0.187	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-41.2	172	-68.2	170.7	-35.2	0	0	111.8	V195 N308 F315 F472	V195-Q311 HydrophobicContact CG2-CB 4.44Å; V195-Q311 HydrophobicContact CG2-CG 4.25Å; N308-Q311 VanDerWaalsContact N-OE1 3.16Å; N308-Q311 PolarHBondContact O-N 2.71Å; N308-Q311 WeakPolarHBondContact OD1-CG 3.34Å; N308-Q311 PolarHBondContact OD1-N 3.05Å; Q311-F315 VanDerWaalsContact O-CB 3.3Å; Q311-F315 WeakPolarHBondContact O-CB 3.47Å; Q311-F315 PolarHBondContact O-N 2.89Å; Q311-F472 HydrophobicContact CB-CE1 4.04Å
312	L	97.1	Very high	96.9	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-46.2	176.3	177.6	64.3	0	0	0	111.6	I205 F207 I297 N308 N309 N310 L316 F472 F473	I205-L312 HydrophobicContact CD1-CD2 3.82Å; I205-L312 HydrophobicContact CD1-CG 4.06Å; F207-L312 HydrophobicContact CZ-CD2 4.28Å; I297-L312 HydrophobicContact CD1-CD2 4.47Å; N308-L312 PolarHBondContact O-N 2.84Å; N309-L312 PolarHBondContact O-N 3.44Å; N310-L312 VanDerWaalsContact C-N 3.34Å; N310-L312 PolarHBondContact O-N 3.13Å; L312-L316 HydrophobicContact CD1-CD1 3.71Å; L312-L316 HydrophobicContact CD1-CG 4.11Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.12Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.33Å; L312-F472 HydrophobicContact CB-CD1 3.85Å; L312-F472 HydrophobicContact CB-CE1 4.25Å; L312-F472 HydrophobicContact CD1-CB 3.93Å; L312-F472 HydrophobicContact CD1-CD1 3.94Å; L312-F472 HydrophobicContact CD1-CD2 4.19Å; L312-F472 HydrophobicContact CD1-CG 3.75Å; L312-F473 HydrophobicContact CD1-CE2 4.33Å; L312-F473 HydrophobicContact CD2-CE2 3.91Å; L312-F473 HydrophobicContact CD2-CZ 3.76Å
313	V	97.6	Very high	96.9	Very high	16 Å²	16	30 Å²	30	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-67	-42	178.8	172	0	0	0	0	111.3	P199 P202 V203 I205 N309 N310 S317	P199-V313 HydrophobicContact CG-CG1 4.43Å; P202-V313 HydrophobicContact CB-CG1 3.65Å; V203-V313 HydrophobicContact CG2-CG1 4.34Å; I205-V313 HydrophobicContact CD1-CG2 4.41Å; N309-V313 WeakPolarHBondContact O-CG2 3.38Å; N309-V313 PolarHBondContact O-N 2.67Å; N310-V313 PolarHBondContact O-N 3.1Å; V313-S317 VanDerWaalsContact O-CB 3.23Å; V313-S317 WeakPolarHBondContact O-CB 3.31Å; V313-S317 PolarHBondContact O-N 3.16Å; V313-S317 PolarHBondContact O-OG 2.86Å
314	A	95.4	Very high	96.9	Very high	10 Å²	10	30 Å²	30	8%	0.083	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-49.8	175.6	0	0	0	0	0	111.4	V195 N310 S317 K318	V195-A314 HydrophobicContact CB-CB 4.29Å; V195-A314 HydrophobicContact CG1-CB 4.45Å; N310-A314 VanDerWaalsContact O-CB 3.32Å; N310-A314 WeakPolarHBondContact O-CB 3.37Å; N310-A314 PolarHBondContact O-N 3.48Å; A314-S317 PolarHBondContact O-N 2.86Å; A314-K318 PolarHBondContact O-N 3.18Å; A314-K318 VanDerWaalsContact O-N 3.09Å
315	F	95.8	Very high	96.8	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-51.1	177.9	-178.5	-98.5	0	0	0	112.6	I188 W190 V195 Q311 S317 K318 F319 F324 L427 P470 F472	I188-F315 HydrophobicContact CD1-CZ 3.89Å; I188-F315 HydrophobicContact CG2-CE2 4.12Å; I188-F315 HydrophobicContact CG2-CZ 4.42Å; W190-F315 HydrophobicContact CE3-CD2 4.05Å; W190-F315 AromaticContact CE3-CE2 3.95Å; W190-F315 HydrophobicContact CE3-CE2 3.95Å; W190-F315 AromaticContact CZ3-CD2 3.67Å; W190-F315 HydrophobicContact CZ3-CD2 3.67Å; W190-F315 HydrophobicContact CZ3-CE2 4.03Å; V195-F315 HydrophobicContact CG1-CB 3.93Å; V195-F315 HydrophobicContact CG1-CD2 4.42Å; Q311-F315 VanDerWaalsContact O-CB 3.3Å; Q311-F315 WeakPolarHBondContact O-CB 3.47Å; Q311-F315 PolarHBondContact O-N 2.89Å; F315-S317 VanDerWaalsContact C-N 3.29Å; F315-S317 PolarHBondContact O-N 3.21Å; F315-K318 WeakPolarHBondContact O-CB 3.47Å; F315-K318 PolarHBondContact O-N 3.1Å; F315-F319 HydrophobicContact CD1-CD2 4.48Å; F315-F319 AromaticContact CD2-CD2 3.83Å; F315-F319 HydrophobicContact CD2-CD2 3.83Å; F315-F319 AromaticContact CD2-CE2 3.87Å; F315-F319 HydrophobicContact CD2-CE2 3.87Å; F315-F319 HydrophobicContact CE1-CD2 4.27Å; F315-F319 AromaticContact CE2-CD2 3.62Å; F315-F319 HydrophobicContact CE2-CD2 3.62Å; F315-F319 AromaticContact CE2-CE2 3.58Å; F315-F319 HydrophobicContact CE2-CE2 3.58Å; F315-F319 HydrophobicContact CG-CD2 4.28Å; F315-F319 AromaticContact CZ-CD2 3.85Å; F315-F319 HydrophobicContact CZ-CD2 3.85Å; F315-F319 HydrophobicContact CZ-CE2 4.19Å; F315-F319 WeakPolarHBondContact O-CD2 3.4Å; F315-F319 PolarHBondContact O-N 3.42Å; F315-F319 VanDerWaalsContact O-N 3.14Å; F315-F324 HydrophobicContact CE1-CD1 4.39Å; F315-F324 AromaticContact CE1-CE1 3.52Å; F315-F324 HydrophobicContact CE1-CE1 3.52Å; F315-F324 AromaticContact CE1-CZ 3.63Å; F315-F324 HydrophobicContact CE1-CZ 3.63Å; F315-F324 AromaticContact CZ-CE1 3.79Å; F315-F324 HydrophobicContact CZ-CE1 3.79Å; F315-F324 HydrophobicContact CZ-CZ 4.15Å; F315-L427 HydrophobicContact CD1-CD1 4.08Å; F315-L427 HydrophobicContact CE1-CD1 3.6Å; F315-L427 HydrophobicContact CE1-CD2 3.83Å; F315-L427 HydrophobicContact CE1-CG 4.38Å; F315-L427 HydrophobicContact CZ-CD2 4Å; F315-P470 HydrophobicContact CD2-CB 4.49Å; F315-P470 HydrophobicContact CE2-CB 3.75Å; F315-P470 HydrophobicContact CE2-CG 3.9Å; F315-P470 HydrophobicContact CZ-CB 3.85Å; F315-P470 HydrophobicContact CZ-CG 3.83Å; F315-F472 HydrophobicContact CB-CE1 4.37Å; F315-F472 HydrophobicContact CB-CE2 4.05Å; F315-F472 HydrophobicContact CB-CZ 3.55Å; F315-F472 HydrophobicContact CD1-CD2 4.48Å; F315-F472 AromaticContact CD1-CE2 3.58Å; F315-F472 HydrophobicContact CD1-CE2 3.58Å; F315-F472 HydrophobicContact CD1-CZ 4.02Å; F315-F472 HydrophobicContact CD2-CE2 4.18Å; F315-F472 HydrophobicContact CD2-CZ 4.15Å; F315-F472 HydrophobicContact CE1-CE2 4.03Å; F315-F472 AromaticContact CG-CE2 3.66Å; F315-F472 HydrophobicContact CG-CE2 3.66Å; F315-F472 AromaticContact CG-CZ 3.64Å; F315-F472 HydrophobicContact CG-CZ 3.64Å; F315-F472 HydrophobicContact CZ-CE2 4.48Å
316	L	97.1	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.2	-24.8	-179.3	-68.2	178.7	0	0	0	113	V203 I205 F295 I297 L312 F319 R320 F324 L374 L427	V203-L316 HydrophobicContact CG2-CB 3.63Å; I205-L316 HydrophobicContact CD1-CD1 4Å; I205-L316 HydrophobicContact CG1-CD1 4.48Å; F295-L316 HydrophobicContact CD1-CD2 4.44Å; F295-L316 HydrophobicContact CD2-CB 4.03Å; F295-L316 HydrophobicContact CD2-CD1 4.22Å; F295-L316 HydrophobicContact CD2-CD2 4.44Å; F295-L316 HydrophobicContact CD2-CG 4.47Å; F295-L316 HydrophobicContact CE1-CD2 4.12Å; F295-L316 HydrophobicContact CE2-CB 3.78Å; F295-L316 HydrophobicContact CE2-CD2 4.1Å; F295-L316 HydrophobicContact CE2-CG 4.37Å; F295-L316 WeakPolarHBondContact CE2-O 3.35Å; F295-L316 HydrophobicContact CG-CD1 4.32Å; F295-L316 HydrophobicContact CZ-CB 4.42Å; F295-L316 HydrophobicContact CZ-CD2 3.93Å; I297-L316 HydrophobicContact CD1-CD1 4.18Å; L312-L316 HydrophobicContact CD1-CD1 3.71Å; L312-L316 HydrophobicContact CD1-CG 4.11Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.12Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.33Å; L316-F319 CarbonylContact O-C 3.55Å; L316-R320 VanDerWaalsContact O-CA 3.24Å; L316-R320 WeakPolarHBondContact O-CA 3.32Å; L316-R320 WeakPolarHBondContact O-CB 3.49Å; L316-R320 PolarHBondContact O-N 2.94Å; L316-R320 VanDerWaalsContact O-N 3.16Å; L316-F324 HydrophobicContact CD2-CD2 4.23Å; L316-F324 HydrophobicContact CD2-CE2 3.79Å; L316-F324 HydrophobicContact CD2-CZ 4.32Å; L316-L374 HydrophobicContact CD1-CD2 3.95Å; L316-L374 HydrophobicContact CD2-CD2 3.96Å; L316-L427 HydrophobicContact CD2-CD1 4.46Å
317	S	96.7	Very high	96.7	Very high	17 Å²	17	33.2 Å²	33.2	12%	0.119	16%	0.163	C	C	.	.	H	α-helix	trans	-72.8	-31.6	172.9	-55.8	0	0	0	0	112.8	P202 V203 V313 A314 F315	P202-S317 WeakPolarHBondContact CA-OG 3.45Å; V203-S317 PolarHBondContact N-OG 3.29Å; V313-S317 VanDerWaalsContact O-CB 3.23Å; V313-S317 WeakPolarHBondContact O-CB 3.31Å; V313-S317 PolarHBondContact O-N 3.16Å; V313-S317 PolarHBondContact O-OG 2.86Å; A314-S317 PolarHBondContact O-N 2.86Å; F315-S317 VanDerWaalsContact C-N 3.29Å; F315-S317 PolarHBondContact O-N 3.21Å
318	K	94.6	Very high	96.5	Very high	108 Å²	108	34 Å²	34	47%	0.47	17%	0.168	S	C	.	.	H	α-helix	trans	-72.6	-31.1	173.9	-176.4	177.7	178.6	-179.8	0	112.5	S194 A314 F315	S194-K318 PolarHBondContact OG-NZ 2.94Å; A314-K318 PolarHBondContact O-N 3.18Å; A314-K318 VanDerWaalsContact O-N 3.09Å; F315-K318 WeakPolarHBondContact O-CB 3.47Å; F315-K318 PolarHBondContact O-N 3.1Å
319	F	96	Very high	96.2	Very high	36 Å²	36	34.6 Å²	34.6	16%	0.158	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	38	-174.2	-63	-63.2	0	0	0	113.1	I188 F315 L316 D321 L322 F324	I188-F319 HydrophobicContact CB-CZ 4.44Å; I188-F319 HydrophobicContact CD1-CD1 4.25Å; I188-F319 HydrophobicContact CD1-CD2 4.16Å; I188-F319 HydrophobicContact CD1-CE1 4.42Å; I188-F319 HydrophobicContact CD1-CE2 4.34Å; I188-F319 HydrophobicContact CD1-CG 4.12Å; I188-F319 HydrophobicContact CD1-CZ 4.48Å; I188-F319 HydrophobicContact CG1-CD1 4.33Å; I188-F319 HydrophobicContact CG1-CE1 4.12Å; I188-F319 HydrophobicContact CG1-CZ 4.25Å; I188-F319 HydrophobicContact CG2-CE1 4.29Å; I188-F319 HydrophobicContact CG2-CE2 3.72Å; I188-F319 HydrophobicContact CG2-CZ 3.59Å; F315-F319 HydrophobicContact CD1-CD2 4.48Å; F315-F319 AromaticContact CD2-CD2 3.83Å; F315-F319 HydrophobicContact CD2-CD2 3.83Å; F315-F319 AromaticContact CD2-CE2 3.87Å; F315-F319 HydrophobicContact CD2-CE2 3.87Å; F315-F319 HydrophobicContact CE1-CD2 4.27Å; F315-F319 AromaticContact CE2-CD2 3.62Å; F315-F319 HydrophobicContact CE2-CD2 3.62Å; F315-F319 AromaticContact CE2-CE2 3.58Å; F315-F319 HydrophobicContact CE2-CE2 3.58Å; F315-F319 HydrophobicContact CG-CD2 4.28Å; F315-F319 AromaticContact CZ-CD2 3.85Å; F315-F319 HydrophobicContact CZ-CD2 3.85Å; F315-F319 HydrophobicContact CZ-CE2 4.19Å; F315-F319 WeakPolarHBondContact O-CD2 3.4Å; F315-F319 PolarHBondContact O-N 3.42Å; F315-F319 VanDerWaalsContact O-N 3.14Å; L316-F319 CarbonylContact O-C 3.55Å; F319-D321 VanDerWaalsContact C-N 3.29Å; F319-D321 PolarHBondContact O-N 3.49Å; F319-L322 HydrophobicContact CB-CD1 4.05Å; F319-L322 HydrophobicContact CB-CG 4.45Å; F319-L322 HydrophobicContact CD1-CD1 3.83Å; F319-L322 HydrophobicContact CG-CD1 4.28Å; F319-L322 PolarHBondContact O-N 3.37Å; F319-F324 HydrophobicContact CB-CE2 4.48Å; F319-F324 HydrophobicContact CB-CZ 3.83Å
320	R	97.3	Very high	95.7	Very high	73 Å²	73	39.9 Å²	39.9	28%	0.275	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.6	-166	81.5	-170.5	-51.1	122.4	1.4	115.2	K201 V203 D294 F295 L316 L322 N376	K201-R320 PolarHBondContact O-NH1 3.1Å; V203-R320 HydrophobicContact CG1-CB 4.33Å; D294-R320 IonicContact OD1-CZ 3.34Å; D294-R320 IonicContact OD1-NH2 2.67Å; D294-R320 PolarHBondContact OD1-NH2 2.92Å; F295-R320 HydrophobicContact CE2-CB 4.36Å; F295-R320 WeakPolarHBondContact CZ-O 3.4Å; L316-R320 VanDerWaalsContact O-CA 3.24Å; L316-R320 WeakPolarHBondContact O-CA 3.32Å; L316-R320 WeakPolarHBondContact O-CB 3.49Å; L316-R320 PolarHBondContact O-N 2.94Å; L316-R320 VanDerWaalsContact O-N 3.16Å; R320-L322 VanDerWaalsContact C-N 3.34Å; R320-N376 WeakPolarHBondContact O-CB 3.36Å
321	D	97.6	Very high	95.6	Very high	115 Å²	115	39.6 Å²	39.6	62%	0.615	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.8	-175.2	-50.3	-68.5	0	0	0	113	F319 N376 S421	F319-D321 VanDerWaalsContact C-N 3.29Å; F319-D321 PolarHBondContact O-N 3.49Å; D321-N376 PolarHBondContact O-ND2 3.49Å; D321-S421 WeakPolarHBondContact O-CB 3.43Å
322	L	98.3	Very high	95.5	Very high	29 Å²	29	40.4 Å²	40.4	15%	0.152	21%	0.208	C	C	.	.			trans	-97.3	158.8	-179.9	-57.1	-174.6	0	0	0	112.7	V186 I188 F319 R320 F324 N376 S421 V423	V186-L322 HydrophobicContact CG1-CD1 3.92Å; V186-L322 HydrophobicContact CG1-CD2 4.2Å; I188-L322 HydrophobicContact CD1-CD1 4.27Å; I188-L322 HydrophobicContact CG1-CD1 4.46Å; F319-L322 HydrophobicContact CB-CD1 4.05Å; F319-L322 HydrophobicContact CB-CG 4.45Å; F319-L322 HydrophobicContact CD1-CD1 3.83Å; F319-L322 HydrophobicContact CG-CD1 4.28Å; F319-L322 PolarHBondContact O-N 3.37Å; R320-L322 VanDerWaalsContact C-N 3.34Å; L322-F324 HydrophobicContact CB-CE2 4.15Å; L322-F324 HydrophobicContact CB-CZ 4.26Å; L322-N376 PolarHBondContact O-ND2 3.4Å; L322-S421 WeakPolarHBondContact CA-O 3.32Å; L322-V423 HydrophobicContact CB-CG2 3.97Å; L322-V423 HydrophobicContact CD1-CG2 3.66Å; L322-V423 HydrophobicContact CG-CG2 4.29Å
323	N	98.7	Very high	95.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.5	176.8	-74.9	-69.9	0	0	0	110.1	L375 N376 F379 L413 S421 V423	N323-L375 HydrophobicContact CB-CD2 4.1Å; N323-L375 VanDerWaalsContact OD1-CA 3.27Å; N323-L375 WeakPolarHBondContact OD1-CA 3.27Å; N323-N376 PolarHBondContact ND2-ND2 3.07Å; N323-N376 VanDerWaalsContact ND2-ND2 3.16Å; N323-N376 PolarHBondContact OD1-N 2.81Å; N323-F379 WeakPolarHBondContact ND2-CB 3.45Å; N323-L413 HydrophobicContact CB-CD1 4.49Å; N323-L413 HydrophobicContact CB-CD2 3.78Å; N323-S421 PolarHBondContact N-O 2.76Å; N323-S421 PolarHBondContact ND2-OG 3.13Å; N323-V423 PolarHBondContact O-N 2.65Å
324	F	98.6	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	97.2	-169.8	-63.8	-91.1	0	0	0	110.7	I188 F295 F315 L316 F319 L322 F373 L374 V423 N425 L427	I188-F324 HydrophobicContact CD1-CE1 3.51Å; I188-F324 HydrophobicContact CD1-CZ 4.03Å; F295-F324 HydrophobicContact CE1-CD2 4.22Å; F295-F324 HydrophobicContact CE1-CE2 4.16Å; F295-F324 HydrophobicContact CZ-CE2 4.25Å; F315-F324 HydrophobicContact CE1-CD1 4.39Å; F315-F324 AromaticContact CE1-CE1 3.52Å; F315-F324 HydrophobicContact CE1-CE1 3.52Å; F315-F324 AromaticContact CE1-CZ 3.63Å; F315-F324 HydrophobicContact CE1-CZ 3.63Å; F315-F324 AromaticContact CZ-CE1 3.79Å; F315-F324 HydrophobicContact CZ-CE1 3.79Å; F315-F324 HydrophobicContact CZ-CZ 4.15Å; L316-F324 HydrophobicContact CD2-CD2 4.23Å; L316-F324 HydrophobicContact CD2-CE2 3.79Å; L316-F324 HydrophobicContact CD2-CZ 4.32Å; F319-F324 HydrophobicContact CB-CE2 4.48Å; F319-F324 HydrophobicContact CB-CZ 3.83Å; L322-F324 HydrophobicContact CB-CE2 4.15Å; L322-F324 HydrophobicContact CB-CZ 4.26Å; F324-F373 CarbonylContact O-C 3.58Å; F324-F373 VanDerWaalsContact O-CA 3.3Å; F324-F373 WeakPolarHBondContact O-CA 3.34Å; F324-F373 WeakPolarHBondContact O-CB 3.08Å; F324-L374 HydrophobicContact CB-CB 4.07Å; F324-L374 HydrophobicContact CB-CD1 4.05Å; F324-L374 HydrophobicContact CD2-CB 4.32Å; F324-L374 PolarHBondContact N-O 3.4Å; F324-L374 PolarHBondContact O-N 3.18Å; F324-V423 HydrophobicContact CD1-CB 4.16Å; F324-V423 HydrophobicContact CD1-CG1 4.1Å; F324-V423 HydrophobicContact CE1-CB 4.41Å; F324-V423 HydrophobicContact CE1-CG1 4.26Å; F324-V423 HydrophobicContact CE1-CG2 4.42Å; F324-N425 WeakPolarHBondContact CB-O 3.11Å; F324-L427 HydrophobicContact CB-CG 4.34Å; F324-L427 HydrophobicContact CD1-CD1 3.96Å; F324-L427 HydrophobicContact CD1-CD2 3.77Å; F324-L427 HydrophobicContact CD1-CG 3.84Å; F324-L427 HydrophobicContact CE1-CD1 4.29Å; F324-L427 HydrophobicContact CE1-CD2 4.1Å; F324-L427 HydrophobicContact CE1-CG 4.46Å; F324-L427 HydrophobicContact CG-CD1 4.15Å; F324-L427 HydrophobicContact CG-CG 4.24Å
325	I	97.8	Very high	95.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.7	-176.4	-162.6	162.5	0	0	0	109	F373 F409 H410 L413 M422 V423 D424 N425	I325-F373 HydrophobicContact CB-CB 4.36Å; I325-F373 HydrophobicContact CD1-CB 4.46Å; I325-F373 HydrophobicContact CD1-CD1 4.44Å; I325-F373 HydrophobicContact CG1-CB 4.13Å; I325-F409 HydrophobicContact CD1-CB 3.61Å; I325-H410 HydrophobicContact CD1-CB 4.47Å; I325-H410 WeakPolarHBondContact CD1-ND1 3.24Å; I325-L413 HydrophobicContact CG2-CD2 4.14Å; I325-M422 HydrophobicContact CG2-CE 3.81Å; I325-M422 HydrophobicContact CG2-CG 4.06Å; I325-M422 HydrophobicContact CG2-SD 4.1Å; I325-V423 PolarHBondContact N-O 2.89Å; I325-D424 CarbonylContact O-C 3.52Å; I325-D424 WeakPolarHBondContact O-CA 3.23Å; I325-N425 PolarHBondContact O-N 3.11Å; I325-N425 VanDerWaalsContact O-N 3.11Å
326	K	97.3	Very high	95.4	Very high	67 Å²	67	48.7 Å²	48.7	29%	0.291	25%	0.247	S	C	.	.			trans	-120.1	116.3	-175.8	-173.2	68.3	-151.9	149.4	0	111.1	G369 S370 H410 D424 N426	K326-G369 CarbonylContact O-C 3.59Å; K326-G369 VanDerWaalsContact O-CA 3.28Å; K326-G369 WeakPolarHBondContact O-CA 3.35Å; K326-S370 PolarHBondContact O-N 2.86Å; K326-H410 PolarHBondContact O-NE2 2.79Å; K326-D424 VanDerWaalsContact CD-O 3.32Å; K326-D424 WeakPolarHBondContact CD-O 3.42Å; K326-D424 WeakPolarHBondContact CD-OD1 3.47Å; K326-D424 WeakPolarHBondContact CE-OD1 3.4Å; K326-D424 PolarHBondContact NZ-O 2.98Å; K326-D424 IonicContact NZ-OD1 2.73Å; K326-D424 PolarHBondContact NZ-OD1 3Å; K326-D424 IonicContact NZ-OD2 3.25Å; K326-D424 PolarHBondContact NZ-OD2 3.02Å; K326-N426 HydrophobicContact CB-CB 3.84Å
327	S	96.5	Very high	95.4	Very high	9 Å²	9	55.2 Å²	55.2	6%	0.063	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-76.2	160.3	171.7	-61.6	0	0	0	0	111.5	K183 G329 D367 G368 M422 D424	K183-S327 PolarHBondContact NZ-OG 2.72Å; S327-G329 VanDerWaalsContact C-N 3.28Å; S327-G329 PolarHBondContact O-N 2.82Å; S327-D367 WeakPolarHBondContact CB-OD2 3.44Å; S327-D367 PolarHBondContact OG-OD2 3.12Å; S327-G368 CarbonylContact C-O 3.36Å; S327-G368 WeakPolarHBondContact CA-O 3.22Å; S327-M422 WeakPolarHBondContact OG-CE 3.43Å; S327-D424 PolarHBondContact N-OD1 3.4Å
328	H	93.3	Very high	95.3	Very high	41 Å²	41	58.9 Å²	58.9	19%	0.19	29%	0.286	C	S	.	.			trans	-72.2	-18.4	-177.8	72	89.1	0	0	0	113.9	R330 F335 D367 G368	H328-R330 VanDerWaalsContact CE1-C 3.5Å; H328-R330 PolarHBondContact CE1-O 3.33Å; H328-R330 PolarHBondContact ND1-N 3.34Å; H328-R330 WeakPolarHBondContact O-CG 3.46Å; H328-R330 PolarHBondContact O-N 3.4Å; H328-F335 HydrophobicContact CB-CD2 3.75Å; H328-F335 HydrophobicContact CB-CE2 4.08Å; H328-F335 HydrophobicContact CB-CG 4.34Å; H328-F335 AromaticContact CD2-CD1 3.7Å; H328-F335 AromaticContact CD2-CD2 3.72Å; H328-F335 AromaticContact CD2-CG 3.42Å; H328-F335 VanDerWaalsContact CD2-CG 3.42Å; H328-F335 WeakPolarHBondContact CD2-CG 3.3Å; H328-F335 AromaticContact CG-CD2 3.65Å; H328-F335 AromaticContact CG-CG 3.74Å; H328-F335 WeakPolarHBondContact NE2-CB 3.41Å; H328-F335 AromaticContact NE2-CD1 3.93Å; H328-F335 AromaticContact NE2-CG 3.68Å; H328-D367 IonicContact CD2-OD1 2.77Å; H328-D367 IonicContact NE2-OD1 2.84Å; H328-G368 WeakPolarHBondContact CB-O 3.49Å; H328-G368 PolarHBondContact CD2-O 2.69Å; H328-G368 VanDerWaalsContact CD2-O 3.24Å; H328-G368 PolarHBondContact N-O 3.39Å
329	G	88.3	Confident	95.4	Very high	63 Å²	63	55.2 Å²	55.2	65%	0.649	27%	0.27	S	S	*	.			trans	61.2	33.5	169.8	0	0	0	0	0	115.4	S327	S327-G329 VanDerWaalsContact C-N 3.28Å; S327-G329 PolarHBondContact O-N 2.82Å
330	R	85.8	Confident	95.5	Very high	128 Å²	128	53.5 Å²	53.5	48%	0.483	26%	0.263	S	S	.	.	S	Bend	trans	-142.9	-167.1	-175.8	-64	-178.2	-174.9	-147.1	-5	110.2	I39 H328 N332	I39-R330 PolarHBondContact O-NH2 3.45Å; H328-R330 VanDerWaalsContact CE1-C 3.5Å; H328-R330 PolarHBondContact CE1-O 3.33Å; H328-R330 PolarHBondContact ND1-N 3.34Å; H328-R330 WeakPolarHBondContact O-CG 3.46Å; H328-R330 PolarHBondContact O-N 3.4Å; R330-N332 PolarHBondContact O-N 2.78Å
331	D	93.2	Very high	95.5	Very high	70 Å²	70	50.1 Å²	50.1	37%	0.374	25%	0.25	S	S	.	.			trans	-57.1	114.7	169.3	160.9	-157.4	0	0	0	111.8	A333 R334 F335	D331-A333 PolarHBondContact OD2-N 3.33Å; D331-A333 VanDerWaalsContact OD2-N 3.15Å; D331-R334 HydrophobicContact CB-CB 4.24Å; D331-R334 PolarHBondContact O-N 3Å; D331-R334 WeakPolarHBondContact OD1-CB 3.39Å; D331-R334 IonicContact OD1-CZ 3.14Å; D331-R334 IonicContact OD1-NE 3.47Å; D331-R334 PolarHBondContact OD1-NE 2.98Å; D331-R334 IonicContact OD1-NH2 2.69Å; D331-R334 PolarHBondContact OD1-NH2 3.41Å; D331-R334 VanDerWaalsContact OD1-NH2 3.14Å; D331-R334 PolarHBondContact OD2-N 2.89Å; D331-F335 PolarHBondContact O-N 3.16Å; D331-F335 VanDerWaalsContact O-N 3.14Å
332	N	93.5	Very high	95.5	Very high	58 Å²	58	45.9 Å²	45.9	31%	0.31	23%	0.227	S	C	.	.	H	α-helix	trans	-70.8	-37.6	-174.8	-170.9	10.4	0	0	0	112.9	R330 R334 F335 I336 V366	R330-N332 PolarHBondContact O-N 2.78Å; N332-R334 PolarHBondContact O-N 2.99Å; N332-F335 WeakPolarHBondContact O-CA 3.25Å; N332-F335 WeakPolarHBondContact O-CB 3.36Å; N332-F335 PolarHBondContact O-N 3.41Å; N332-I336 PolarHBondContact O-N 2.91Å; N332-V366 PolarHBondContact ND2-O 3.06Å
333	A	94.8	Very high	95.6	Very high	46 Å²	46	47 Å²	47	38%	0.38	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-32.2	177.6	0	0	0	0	0	111.4	D331 R337	D331-A333 PolarHBondContact OD2-N 3.33Å; D331-A333 VanDerWaalsContact OD2-N 3.15Å; A333-R337 PolarHBondContact O-N 2.92Å; A333-R337 PolarHBondContact O-NH1 3.36Å; A333-R337 VanDerWaalsContact O-NH1 3.11Å
334	R	95.1	Very high	95.6	Very high	117 Å²	117	47 Å²	47	44%	0.442	23%	0.23	S	C	.	.	H	α-helix	trans	-77.5	-28.2	171.2	-176	-171	-44.3	-138.9	0.2	113.7	D331 N332 K338	D331-R334 HydrophobicContact CB-CB 4.24Å; D331-R334 PolarHBondContact O-N 3Å; D331-R334 WeakPolarHBondContact OD1-CB 3.39Å; D331-R334 IonicContact OD1-CZ 3.14Å; D331-R334 IonicContact OD1-NE 3.47Å; D331-R334 PolarHBondContact OD1-NE 2.98Å; D331-R334 IonicContact OD1-NH2 2.69Å; D331-R334 PolarHBondContact OD1-NH2 3.41Å; D331-R334 VanDerWaalsContact OD1-NH2 3.14Å; D331-R334 PolarHBondContact OD2-N 2.89Å; N332-R334 PolarHBondContact O-N 2.99Å; R334-K338 HydrophobicContact CG-CD 4.36Å; R334-K338 VanDerWaalsContact O-CB 3.31Å; R334-K338 WeakPolarHBondContact O-CB 3.33Å; R334-K338 VanDerWaalsContact O-CG 3.31Å; R334-K338 WeakPolarHBondContact O-CG 3.38Å; R334-K338 PolarHBondContact O-N 3.27Å
335	F	95.9	Very high	95.6	Very high	17 Å²	17	47 Å²	47	8%	0.075	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-55.2	171.2	172.5	-104.4	0	0	0	110.4	H328 D331 N332 R337 K338 Q339 L341 G368	H328-F335 HydrophobicContact CB-CD2 3.75Å; H328-F335 HydrophobicContact CB-CE2 4.08Å; H328-F335 HydrophobicContact CB-CG 4.34Å; H328-F335 AromaticContact CD2-CD1 3.7Å; H328-F335 AromaticContact CD2-CD2 3.72Å; H328-F335 AromaticContact CD2-CG 3.42Å; H328-F335 VanDerWaalsContact CD2-CG 3.42Å; H328-F335 WeakPolarHBondContact CD2-CG 3.3Å; H328-F335 AromaticContact CG-CD2 3.65Å; H328-F335 AromaticContact CG-CG 3.74Å; H328-F335 WeakPolarHBondContact NE2-CB 3.41Å; H328-F335 AromaticContact NE2-CD1 3.93Å; H328-F335 AromaticContact NE2-CG 3.68Å; D331-F335 PolarHBondContact O-N 3.16Å; D331-F335 VanDerWaalsContact O-N 3.14Å; N332-F335 WeakPolarHBondContact O-CA 3.25Å; N332-F335 WeakPolarHBondContact O-CB 3.36Å; N332-F335 PolarHBondContact O-N 3.41Å; F335-R337 VanDerWaalsContact C-N 3.34Å; F335-R337 PolarHBondContact O-N 3.44Å; F335-K338 PolarHBondContact O-N 3.23Å; F335-Q339 HydrophobicContact CD1-CG 4.42Å; F335-Q339 HydrophobicContact CD2-CG 3.77Å; F335-Q339 HydrophobicContact CE1-CG 4.04Å; F335-Q339 HydrophobicContact CE2-CG 3.35Å; F335-Q339 HydrophobicContact CG-CG 4.28Å; F335-Q339 HydrophobicContact CZ-CG 3.49Å; F335-Q339 VanDerWaalsContact CZ-CG 3.49Å; F335-Q339 WeakPolarHBondContact O-CG 3.42Å; F335-Q339 PolarHBondContact O-N 2.97Å; F335-L341 HydrophobicContact CD1-CD1 4.44Å; F335-L341 HydrophobicContact CE1-CD1 3.91Å; F335-G368 VanDerWaalsContact CE1-N 3.31Å; F335-G368 VanDerWaalsContact CZ-C 3.42Å
336	I	96.9	Very high	95.6	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.138	24%	0.238	C	C	.	.	H	α-helix	trans	-46.8	-54.3	177.3	-72	166.7	0	0	0	111.6	N332 K338 Q339 G340 L341 D342 I360 V366	N332-I336 PolarHBondContact O-N 2.91Å; I336-K338 VanDerWaalsContact C-N 3.35Å; I336-K338 PolarHBondContact O-N 3.5Å; I336-Q339 PolarHBondContact O-N 3.25Å; I336-G340 PolarHBondContact O-N 3.45Å; I336-G340 VanDerWaalsContact O-N 3.08Å; I336-L341 HydrophobicContact CG1-CD1 4.41Å; I336-L341 HydrophobicContact CG2-CB 4.21Å; I336-L341 PolarHBondContact O-N 2.92Å; I336-D342 HydrophobicContact CG2-CB 4.31Å; I336-I360 HydrophobicContact CG2-CD1 3.95Å; I336-I360 HydrophobicContact CG2-CG1 4.03Å; I336-V366 HydrophobicContact CG1-CG1 4.42Å
337	R	96.8	Very high	95.7	Very high	138 Å²	138	47.9 Å²	47.9	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-67.8	-25.7	179.6	-69.2	-171.5	-61.4	-86.3	-0.2	114.7	A333 F335	A333-R337 PolarHBondContact O-N 2.92Å; A333-R337 PolarHBondContact O-NH1 3.36Å; A333-R337 VanDerWaalsContact O-NH1 3.11Å; F335-R337 VanDerWaalsContact C-N 3.34Å; F335-R337 PolarHBondContact O-N 3.44Å
338	K	95.3	Very high	95.7	Very high	94 Å²	94	48 Å²	48	41%	0.409	23%	0.234	S	C	.	.	H	α-helix	trans	-84.1	-31.5	178.6	-81	-167.2	170.9	-159.9	0	113.2	R334 F335 I336 G340 W448	R334-K338 HydrophobicContact CG-CD 4.36Å; R334-K338 VanDerWaalsContact O-CB 3.31Å; R334-K338 WeakPolarHBondContact O-CB 3.33Å; R334-K338 VanDerWaalsContact O-CG 3.31Å; R334-K338 WeakPolarHBondContact O-CG 3.38Å; R334-K338 PolarHBondContact O-N 3.27Å; F335-K338 PolarHBondContact O-N 3.23Å; I336-K338 VanDerWaalsContact C-N 3.35Å; I336-K338 PolarHBondContact O-N 3.5Å; K338-G340 VanDerWaalsContact C-N 3.3Å; K338-W448 PolarHBondContact O-NE1 2.83Å
339	Q	96.6	Very high	95.8	Very high	30 Å²	30	48.7 Å²	48.7	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-77.4	-18.7	171.4	-61.8	-57.7	108.4	0	0	112.4	F335 I336 L341 E406	F335-Q339 HydrophobicContact CD1-CG 4.42Å; F335-Q339 HydrophobicContact CD2-CG 3.77Å; F335-Q339 HydrophobicContact CE1-CG 4.04Å; F335-Q339 HydrophobicContact CE2-CG 3.35Å; F335-Q339 HydrophobicContact CG-CG 4.28Å; F335-Q339 HydrophobicContact CZ-CG 3.49Å; F335-Q339 VanDerWaalsContact CZ-CG 3.49Å; F335-Q339 WeakPolarHBondContact O-CG 3.42Å; F335-Q339 PolarHBondContact O-N 2.97Å; I336-Q339 PolarHBondContact O-N 3.25Å; Q339-L341 HydrophobicContact CB-CD1 4.21Å; Q339-L341 HydrophobicContact CB-CG 3.88Å; Q339-E406 PolarHBondContact NE2-OE2 3.37Å
340	G	97.7	Very high	96.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	28.8	-172.7	0	0	0	0	0	112.5	I336 K338 D342 R343	I336-G340 PolarHBondContact O-N 3.45Å; I336-G340 VanDerWaalsContact O-N 3.08Å; K338-G340 VanDerWaalsContact C-N 3.3Å; G340-D342 WeakPolarHBondContact CA-OD1 3.4Å; G340-D342 PolarHBondContact O-N 2.95Å; G340-R343 WeakPolarHBondContact O-CB 3.42Å; G340-R343 PolarHBondContact O-N 3.39Å
341	L	98.3	Very high	96.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.7	177.9	-69	169.8	0	0	0	111.5	F335 I336 Q339 R343 R358 I360 V366 Y398 T401	F335-L341 HydrophobicContact CD1-CD1 4.44Å; F335-L341 HydrophobicContact CE1-CD1 3.91Å; I336-L341 HydrophobicContact CG1-CD1 4.41Å; I336-L341 HydrophobicContact CG2-CB 4.21Å; I336-L341 PolarHBondContact O-N 2.92Å; Q339-L341 HydrophobicContact CB-CD1 4.21Å; Q339-L341 HydrophobicContact CB-CG 3.88Å; L341-R343 PolarHBondContact O-N 3.32Å; L341-R358 PolarHBondContact O-NE 3.03Å; L341-R358 PolarHBondContact O-NH2 3.1Å; L341-I360 HydrophobicContact CB-CD1 4.09Å; L341-V366 HydrophobicContact CD1-CG1 4.06Å; L341-Y398 HydrophobicContact CD2-CE1 4.03Å; L341-T401 HydrophobicContact CD2-CG2 3.52Å
342	D	98.1	Very high	97	Very high	26 Å²	26	41.3 Å²	41.3	14%	0.139	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.4	170	63.5	-39	0	0	0	114.1	I336 G340 R358	I336-D342 HydrophobicContact CG2-CB 4.31Å; G340-D342 WeakPolarHBondContact CA-OD1 3.4Å; G340-D342 PolarHBondContact O-N 2.95Å; D342-R358 PolarHBondContact O-N 2.64Å; D342-R358 VanDerWaalsContact O-O 3.05Å
343	R	98.5	Very high	97.3	Very high	53 Å²	53	39 Å²	39	20%	0.2	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.9	-179.8	-48	-60.7	161	145.9	-1.6	111.3	G340 L341 F345 R354 G356 D357 R358 W448	G340-R343 WeakPolarHBondContact O-CB 3.42Å; G340-R343 PolarHBondContact O-N 3.39Å; L341-R343 PolarHBondContact O-N 3.32Å; R343-F345 HydrophobicContact CB-CD2 4.31Å; R343-F345 HydrophobicContact CB-CE2 3.76Å; R343-F345 HydrophobicContact CB-CZ 4.42Å; R343-R354 HydrophobicContact CB-CG 4.39Å; R343-G356 WeakPolarHBondContact CA-O 3.31Å; R343-D357 WeakPolarHBondContact CD-OD1 3.42Å; R343-D357 IonicContact CZ-OD1 3.15Å; R343-D357 IonicContact CZ-OD2 3.92Å; R343-D357 IonicContact NE-OD1 3.89Å; R343-D357 IonicContact NH1-OD1 3.33Å; R343-D357 PolarHBondContact NH1-OD1 3.08Å; R343-D357 IonicContact NH1-OD2 3.87Å; R343-D357 PolarHBondContact NH1-OD2 3.11Å; R343-D357 VanDerWaalsContact NH1-OD2 3.15Å; R343-R358 PolarHBondContact O-NE 2.8Å; R343-R358 VanDerWaalsContact O-NE 3.11Å; R343-R358 PolarHBondContact O-NH2 3.45Å; R343-W448 HydrophobicContact CG-CH2 4.4Å; R343-W448 HydrophobicContact CG-CZ3 4.32Å
344	L	98.6	Very high	97.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.3	174.1	-171.6	74.1	0	0	0	109.7	V160 H164 L169 M170 L355 G356 Y400	V160-L344 HydrophobicContact CG1-CD2 4.21Å; H164-L344 HydrophobicContact CB-CD2 3.8Å; L169-L344 HydrophobicContact CD2-CD1 3.86Å; L169-L344 HydrophobicContact CD2-CD2 4.02Å; M170-L344 HydrophobicContact CE-CD1 4.03Å; M170-L344 HydrophobicContact CG-CD1 4.3Å; M170-L344 HydrophobicContact SD-CD1 4.09Å; L344-L355 HydrophobicContact CD2-CB 4.22Å; L344-L355 PolarHBondContact O-N 3.23Å; L344-G356 PolarHBondContact N-O 3.14Å; L344-Y400 HydrophobicContact CD1-CG 4.25Å
345	F	98.8	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.3	175.1	-71.3	-91.7	0	0	0	112	R343 M352 W353 R354 Y400 L402 W448	R343-F345 HydrophobicContact CB-CD2 4.31Å; R343-F345 HydrophobicContact CB-CE2 3.76Å; R343-F345 HydrophobicContact CB-CZ 4.42Å; F345-M352 HydrophobicContact CB-CE 3.8Å; F345-M352 HydrophobicContact CD1-CB 4.48Å; F345-M352 HydrophobicContact CG-CE 4.46Å; F345-W353 CarbonylContact C-O 3.51Å; F345-W353 WeakPolarHBondContact CA-O 3.21Å; F345-R354 HydrophobicContact CD1-CB 4.05Å; F345-R354 HydrophobicContact CD1-CG 4.43Å; F345-R354 HydrophobicContact CE1-CB 3.72Å; F345-R354 HydrophobicContact CE1-CG 3.98Å; F345-R354 HydrophobicContact CZ-CB 4.35Å; F345-R354 HydrophobicContact CZ-CG 4.11Å; F345-Y400 PolarHBondContact N-O 2.77Å; F345-Y400 CarbonylContact O-C 3.54Å; F345-Y400 WeakPolarHBondContact O-CA 3.3Å; F345-Y400 WeakPolarHBondContact O-CB 3.02Å; F345-L402 HydrophobicContact CD1-CB 4.29Å; F345-L402 HydrophobicContact CD2-CB 3.62Å; F345-L402 HydrophobicContact CE1-CB 4.26Å; F345-L402 HydrophobicContact CE1-CD2 4.26Å; F345-L402 HydrophobicContact CE2-CB 3.57Å; F345-L402 HydrophobicContact CE2-CD2 4.19Å; F345-L402 HydrophobicContact CE2-CG 4.48Å; F345-L402 HydrophobicContact CG-CB 3.98Å; F345-L402 HydrophobicContact CZ-CB 3.91Å; F345-L402 HydrophobicContact CZ-CD2 3.8Å; F345-L402 HydrophobicContact CZ-CG 4.38Å; F345-W448 HydrophobicContact CZ-CD2 4.33Å; F345-W448 AromaticContact CZ-CE3 3.95Å; F345-W448 HydrophobicContact CZ-CE3 3.95Å
346	Y	98.5	Very high	97.7	Very high	44 Å²	44	34.4 Å²	34.4	17%	0.173	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.2	171.7	-173.4	-112	0	0	0	111.9	Q156 I157 V160 C348 W353 Y400	Q156-Y346 HydrophobicContact CB-CD1 4.45Å; Q156-Y346 HydrophobicContact CB-CE1 3.49Å; Q156-Y346 VanDerWaalsContact CB-CE1 3.49Å; Q156-Y346 HydrophobicContact CG-CE1 4.34Å; Q156-Y346 PolarHBondContact OE1-OH 3.04Å; I157-Y346 HydrophobicContact CG1-CD1 4.4Å; V160-Y346 HydrophobicContact CG2-CD2 3.96Å; V160-Y346 HydrophobicContact CG2-CE2 4Å; V160-Y346 HydrophobicContact CG2-CG 4.32Å; Y346-C348 HydrophobicContact CD1-CB 4.21Å; Y346-C348 HydrophobicContact CE1-CB 3.77Å; Y346-W353 PolarHBondContact N-O 3.28Å; Y346-W353 PolarHBondContact O-N 3.44Å; Y346-Y400 AromaticContact CD2-CD1 3.9Å; Y346-Y400 HydrophobicContact CD2-CD1 3.9Å; Y346-Y400 AromaticContact CD2-CE1 3.64Å; Y346-Y400 HydrophobicContact CD2-CE1 3.64Å; Y346-Y400 HydrophobicContact CE2-CE1 4.02Å
347	E	98.6	Very high	97.8	Very high	41 Å²	41	37.5 Å²	37.5	19%	0.192	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.9	-179.2	-165.8	172.6	150.6	0	0	111.3	I268 G271 A272 S273 H351 M352	I268-E347 HydrophobicContact CD1-CG 3.91Å; G271-E347 VanDerWaalsContact C-OE2 3.25Å; G271-E347 VanDerWaalsContact CA-OE2 3.22Å; G271-E347 WeakPolarHBondContact CA-OE2 3.21Å; A272-E347 WeakPolarHBondContact CA-OE2 3.44Å; A272-E347 HydrophobicContact CB-CB 4.33Å; A272-E347 PolarHBondContact N-OE2 2.91Å; S273-E347 VanDerWaalsContact CB-OE1 3.24Å; S273-E347 WeakPolarHBondContact CB-OE1 3.32Å; S273-E347 WeakPolarHBondContact CB-OE2 3.27Å; S273-E347 PolarHBondContact N-OE2 3.26Å; S273-E347 VanDerWaalsContact OG-CD 3.29Å; S273-E347 PolarHBondContact OG-OE1 3.42Å; S273-E347 PolarHBondContact OG-OE2 3.09Å; S273-E347 VanDerWaalsContact OG-OE2 3.13Å; E347-H351 WeakPolarHBondContact CA-O 3.47Å; E347-M352 HydrophobicContact CB-SD 3.61Å; E347-M352 HydrophobicContact CG-SD 3.96Å
348	C	97.7	Very high	97.8	Very high	11 Å²	11	31.8 Å²	31.8	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	162.1	167.5	60.3	0	0	0	0	110.8	C153 Y346 T350 H351 W353	C153-C348 WeakPolarHBondContact CA-SG 3.1Å; C153-C348 HydrophobicContact CB-CB 3.63Å; C153-C348 WeakPolarHBondContact CB-SG 3.46Å; C153-C348 VanDerWaalsContact SG-C 3.57Å; C153-C348 WeakPolarHBondContact SG-CB 3.26Å; C153-C348 CovalentContact SG-SG 2.04Å; C153-C348 PolarHBondContact SG-SG 3.25Å; Y346-C348 HydrophobicContact CD1-CB 4.21Å; Y346-C348 HydrophobicContact CE1-CB 3.77Å; C348-T350 PolarHBondContact O-N 2.04Å; C348-T350 VanDerWaalsContact O-N 3.12Å; C348-H351 PolarHBondContact N-O 2.95Å; C348-H351 PolarHBondContact O-N 3.26Å; C348-H351 VanDerWaalsContact O-O 3.12Å; C348-W353 PolarHBondContact O-NE1 3Å
349	D	95.8	Very high	97.9	Very high	56 Å²	56	33.6 Å²	33.6	30%	0.299	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	26.5	-171.1	-70.2	-0.1	0	0	0	114.6	K149 S150 C153 H351	K149-D349 WeakPolarHBondContact CA-OD2 3.28Å; K149-D349 WeakPolarHBondContact CB-OD2 3.37Å; K149-D349 PolarHBondContact N-OD2 2.71Å; S150-D349 VanDerWaalsContact CB-OD1 3.26Å; S150-D349 WeakPolarHBondContact CB-OD1 3.33Å; S150-D349 PolarHBondContact N-OD2 3.35Å; S150-D349 PolarHBondContact OG-OD1 2.72Å; S150-D349 PolarHBondContact OG-OD2 2.98Å; C153-D349 HydrophobicContact CB-CB 4.44Å; C153-D349 WeakPolarHBondContact CB-OD1 3.48Å; D349-H351 VanDerWaalsContact C-N 3.28Å; D349-H351 PolarHBondContact O-N 2.84Å
350	T	95.8	Very high	98	Very high	76 Å²	76	34.5 Å²	34.5	47%	0.466	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	35.5	-171.1	61	0	0	0	0	114.2	A266 C348	A266-T350 HydrophobicContact CB-CG2 3.83Å; C348-T350 PolarHBondContact O-N 2.04Å; C348-T350 VanDerWaalsContact O-N 3.12Å
351	H	98.4	Very high	98	Very high	30 Å²	30	34.7 Å²	34.7	14%	0.139	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.1	176.6	-169.4	94.7	0	0	0	111	E347 C348 D349 W353 K443 H444 I445 V446	E347-H351 WeakPolarHBondContact CA-O 3.47Å; C348-H351 PolarHBondContact N-O 2.95Å; C348-H351 PolarHBondContact O-N 3.26Å; C348-H351 VanDerWaalsContact O-O 3.12Å; D349-H351 VanDerWaalsContact C-N 3.28Å; D349-H351 PolarHBondContact O-N 2.84Å; H351-W353 HydrophobicContact CB-CZ2 3.83Å; H351-W353 AromaticContact CD2-CD2 3.55Å; H351-W353 AromaticContact CD2-CE2 3.68Å; H351-W353 AromaticContact CD2-CE3 3.6Å; H351-W353 AromaticContact CD2-CH2 3.97Å; H351-W353 AromaticContact CD2-CZ2 3.91Å; H351-W353 AromaticContact CD2-CZ3 3.8Å; H351-W353 AromaticContact CG-CZ2 3.99Å; H351-K443 PolarHBondContact NE2-O 3.2Å; H351-H444 PolarHBondContact CE1-O 2.04Å; H351-H444 PolarHBondContact ND1-O 2.77Å; H351-H444 PolarHBondContact NE2-O 2.94Å; H351-H444 VanDerWaalsContact NE2-O 3.17Å; H351-I445 CarbonylContact C-O 3.52Å; H351-I445 VanDerWaalsContact CA-O 3.27Å; H351-I445 WeakPolarHBondContact CA-O 3.46Å; H351-I445 WeakPolarHBondContact CE1-CA 3.13Å; H351-I445 PolarHBondContact CE1-N 2.99Å; H351-I445 PolarHBondContact CE1-O 2.71Å; H351-I445 VanDerWaalsContact CE1-O 3.27Å; H351-I445 VanDerWaalsContact CG-O 3.31Å; H351-I445 VanDerWaalsContact ND1-C 3.29Å; H351-I445 PolarHBondContact ND1-O 3.24Å; H351-I445 VanDerWaalsContact ND1-O 3.15Å; H351-I445 PolarHBondContact NE2-N 2.57Å; H351-V446 PolarHBondContact NE2-N 2.86Å
352	M	98.4	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	101.1	171.2	-71.1	-67.1	-83.9	0	0	110.8	I268 A272 F345 E347 T401 L402 I445 V446 D447	I268-M352 HydrophobicContact CD1-CG 4Å; A272-M352 HydrophobicContact CB-CE 4.22Å; A272-M352 HydrophobicContact CB-SD 4.39Å; F345-M352 HydrophobicContact CB-CE 3.8Å; F345-M352 HydrophobicContact CD1-CB 4.48Å; F345-M352 HydrophobicContact CG-CE 4.46Å; E347-M352 HydrophobicContact CB-SD 3.61Å; E347-M352 HydrophobicContact CG-SD 3.96Å; M352-T401 WeakPolarHBondContact CE-O 3.48Å; M352-L402 HydrophobicContact CB-CD1 4.33Å; M352-L402 HydrophobicContact CE-CB 4.47Å; M352-L402 HydrophobicContact CE-CD1 4.39Å; M352-L402 HydrophobicContact CG-CD1 4.31Å; M352-I445 PolarHBondContact N-O 2.98Å; M352-V446 HydrophobicContact CB-CB 3.92Å; M352-V446 HydrophobicContact CB-CG1 3.72Å; M352-V446 HydrophobicContact CG-CG1 3.91Å; M352-D447 PolarHBondContact O-N 2.76Å
353	W	98.6	Very high	97.9	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.3	178.7	-54.5	97.5	0	0	0	110.7	A144 R147 A148 C153 I157 F345 Y346 C348 H351 L355 D447	A144-W353 HydrophobicContact CB-CB 4.08Å; A144-W353 HydrophobicContact CB-CD2 4.26Å; A144-W353 HydrophobicContact CB-CE3 3.8Å; A144-W353 HydrophobicContact CB-CG 4.41Å; R147-W353 HydrophobicContact CB-CH2 3.94Å; R147-W353 HydrophobicContact CB-CZ3 3.6Å; A148-W353 HydrophobicContact CB-CH2 4.12Å; A148-W353 HydrophobicContact CB-CZ2 3.9Å; C153-W353 PolarHBondContact SG-NE1 3.08Å; I157-W353 HydrophobicContact CD1-CB 4.49Å; I157-W353 HydrophobicContact CD1-CD2 4.13Å; I157-W353 HydrophobicContact CD1-CG 3.94Å; I157-W353 HydrophobicContact CG1-CG 4.5Å; F345-W353 CarbonylContact C-O 3.51Å; F345-W353 WeakPolarHBondContact CA-O 3.21Å; Y346-W353 PolarHBondContact N-O 3.28Å; Y346-W353 PolarHBondContact O-N 3.44Å; C348-W353 PolarHBondContact O-NE1 3Å; H351-W353 HydrophobicContact CB-CZ2 3.83Å; H351-W353 AromaticContact CD2-CD2 3.55Å; H351-W353 AromaticContact CD2-CE2 3.68Å; H351-W353 AromaticContact CD2-CE3 3.6Å; H351-W353 AromaticContact CD2-CH2 3.97Å; H351-W353 AromaticContact CD2-CZ2 3.91Å; H351-W353 AromaticContact CD2-CZ3 3.8Å; H351-W353 AromaticContact CG-CZ2 3.99Å; W353-L355 HydrophobicContact CB-CD2 3.95Å; W353-D447 WeakPolarHBondContact CA-OD2 3.35Å
354	R	98.7	Very high	97.8	Very high	68 Å²	68	41.4 Å²	41.4	26%	0.257	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.7	169.4	-167.9	177.7	84.2	-160.9	12.9	108.9	E140 R343 F345 D447	E140-R354 WeakPolarHBondContact CB-O 3.28Å; E140-R354 HydrophobicContact CG-CG 4.3Å; E140-R354 IonicContact OE1-CZ 2.71Å; E140-R354 IonicContact OE1-NE 2.83Å; E140-R354 IonicContact OE1-NH2 3.3Å; E140-R354 PolarHBondContact OE1-NH2 2.9Å; R343-R354 HydrophobicContact CB-CG 4.39Å; F345-R354 HydrophobicContact CD1-CB 4.05Å; F345-R354 HydrophobicContact CD1-CG 4.43Å; F345-R354 HydrophobicContact CE1-CB 3.72Å; F345-R354 HydrophobicContact CE1-CG 3.98Å; F345-R354 HydrophobicContact CZ-CB 4.35Å; F345-R354 HydrophobicContact CZ-CG 4.11Å; R354-D447 HydrophobicContact CB-CB 3.62Å; R354-D447 PolarHBondContact N-OD2 2.91Å
355	L	98.6	Very high	97.7	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-19.8	-171.6	-58.6	-169.4	0	0	0	114.4	E140 A144 I157 V160 L344 W353	E140-L355 VanDerWaalsContact CB-C 3.44Å; E140-L355 WeakPolarHBondContact CB-O 3.25Å; A144-L355 HydrophobicContact CB-CD2 3.89Å; I157-L355 HydrophobicContact CG1-CD2 4.28Å; I157-L355 HydrophobicContact CG2-CD2 3.72Å; V160-L355 HydrophobicContact CB-CD1 4.11Å; V160-L355 HydrophobicContact CG1-CD1 3.66Å; L344-L355 HydrophobicContact CD2-CB 4.22Å; L344-L355 PolarHBondContact O-N 3.23Å; W353-L355 HydrophobicContact CB-CD2 3.95Å
356	G	97.9	Very high	97.6	Very high	13 Å²	13	44.2 Å²	44.2	13%	0.134	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156	-158.5	178.3	0	0	0	0	0	112.2	R343 L344	R343-G356 WeakPolarHBondContact CA-O 3.31Å; L344-G356 PolarHBondContact N-O 3.14Å
357	D	98.1	Very high	97.5	Very high	91 Å²	91	42.3 Å²	42.3	49%	0.487	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.2	-175.6	-64.6	-3.2	0	0	0	111.4	H164 R343	H164-D357 PolarHBondContact NE2-O 3.45Å; R343-D357 WeakPolarHBondContact CD-OD1 3.42Å; R343-D357 IonicContact CZ-OD1 3.15Å; R343-D357 IonicContact CZ-OD2 3.92Å; R343-D357 IonicContact NE-OD1 3.89Å; R343-D357 IonicContact NH1-OD1 3.33Å; R343-D357 PolarHBondContact NH1-OD1 3.08Å; R343-D357 IonicContact NH1-OD2 3.87Å; R343-D357 PolarHBondContact NH1-OD2 3.11Å; R343-D357 VanDerWaalsContact NH1-OD2 3.15Å
358	R	97.8	Very high	97.5	Very high	18 Å²	18	40.4 Å²	40.4	7%	0.068	22%	0.222	C	C	.	.			trans	-143.9	157.3	174.2	64.4	175.7	-179.8	-174.2	-6.5	111.1	M170 L341 D342 R343 F397 Y400 T401	M170-R358 HydrophobicContact CG-CB 4.37Å; M170-R358 PolarHBondContact SD-NH1 3.09Å; M170-R358 VanDerWaalsContact SD-NH1 3.41Å; L341-R358 PolarHBondContact O-NE 3.03Å; L341-R358 PolarHBondContact O-NH2 3.1Å; D342-R358 PolarHBondContact O-N 2.64Å; D342-R358 VanDerWaalsContact O-O 3.05Å; R343-R358 PolarHBondContact O-NE 2.8Å; R343-R358 VanDerWaalsContact O-NE 3.11Å; R343-R358 PolarHBondContact O-NH2 3.45Å; R358-F397 PolarHBondContact NH1-O 2.57Å; R358-Y400 PolarHBondContact NH1-O 2.86Å; R358-T401 PolarHBondContact NH1-OG1 2.96Å; R358-T401 VanDerWaalsContact NH1-OG1 3.16Å; R358-T401 PolarHBondContact NH2-OG1 2.82Å
359	K	97.3	Very high	97.4	Very high	133 Å²	133	40.8 Å²	40.8	58%	0.578	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-71.3	156.5	169.9	-60.3	-179.6	-167.3	162.2	0	110.8	D172	D172-K359 IonicContact OD1-NZ 3.74Å; D172-K359 PolarHBondContact OD1-NZ 3.13Å
360	I	97.9	Very high	97.6	Very high	49 Å²	49	38.9 Å²	38.9	25%	0.251	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-83	134.8	157.6	-58.6	-56.8	0	0	0	107.2	I336 L341 V366 F397	I336-I360 HydrophobicContact CG2-CD1 3.95Å; I336-I360 HydrophobicContact CG2-CG1 4.03Å; L341-I360 HydrophobicContact CB-CD1 4.09Å; I360-V366 HydrophobicContact CG2-CB 4.43Å; I360-V366 HydrophobicContact CG2-CG2 3.59Å; I360-F397 HydrophobicContact CD1-CZ 4.17Å
361	P	97.9	Very high	97.7	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.032	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-65.9	140.2	-177.1	-19.8	32.5	0	0	0	112.5	P171 D172 V174 I364 M394 F397	P171-P361 HydrophobicContact CG-CG 4Å; D172-P361 CarbonylContact O-C 3.59Å; D172-P361 WeakPolarHBondContact O-CA 3.24Å; V174-P361 HydrophobicContact CG2-CB 3.84Å; V174-P361 HydrophobicContact CG2-CG 4.44Å; P361-I364 HydrophobicContact CB-CD1 4.37Å; P361-M394 HydrophobicContact CG-CE 4.36Å; P361-F397 HydrophobicContact CG-CD2 3.99Å; P361-F397 HydrophobicContact CG-CE2 4.11Å
362	E	97.8	Very high	97.7	Very high	139 Å²	139	35.7 Å²	35.7	65%	0.65	20%	0.199	S	C	*	.	B	Isolated β-bridge	trans	-72.9	163	176.1	-64	-177.8	-166.1	0	0	111.9	D172 A173 V174 I364	D172-E362 PolarHBondContact O-N 3.04Å; A173-E362 CarbonylContact C-O 3.55Å; A173-E362 WeakPolarHBondContact CA-O 3.48Å; A173-E362 HydrophobicContact CB-CB 4.17Å; V174-E362 PolarHBondContact N-O 3.3Å; E362-I364 VanDerWaalsContact C-N 3.32Å; E362-I364 PolarHBondContact O-N 2.83Å
363	G	96.1	Very high	97.7	Very high	60 Å²	60	35.7 Å²	35.7	62%	0.619	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	-17.7	177.3	0	0	0	0	0	116.4	V174 R176	V174-G363 CarbonylContact O-C 3.57Å; R176-G363 WeakPolarHBondContact CB-O 3.48Å
364	I	97.3	Very high	97.7	Very high	22 Å²	22	35.2 Å²	35.2	11%	0.113	20%	0.197	C	C	.	.	S	Bend	trans	-116.6	154.6	-179.2	56.2	169.2	0	0	0	113.7	V174 P361 E362 V366 L390 M394 T411 N415	V174-I364 HydrophobicContact CB-CD1 4.25Å; V174-I364 HydrophobicContact CB-CG1 4.44Å; V174-I364 HydrophobicContact CB-CG2 3.88Å; V174-I364 HydrophobicContact CG1-CG2 3.85Å; P361-I364 HydrophobicContact CB-CD1 4.37Å; E362-I364 VanDerWaalsContact C-N 3.32Å; E362-I364 PolarHBondContact O-N 2.83Å; I364-V366 HydrophobicContact CD1-CG2 4.31Å; I364-L390 HydrophobicContact CG2-CD1 3.99Å; I364-M394 HydrophobicContact CD1-CE 3.47Å; I364-M394 VanDerWaalsContact CD1-CE 3.47Å; I364-M394 HydrophobicContact CD1-SD 3.91Å; I364-T411 HydrophobicContact CD1-CG2 4.14Å; I364-N415 HydrophobicContact CG2-CB 4.2Å
365	S	95.1	Very high	97.8	Very high	51 Å²	51	32 Å²	32	36%	0.357	19%	0.185	S	C	.	.			trans	-91.4	113.6	166.6	-66.1	0	0	0	0	110.5	N415	S365-N415 PolarHBondContact N-OD1 2.98Å; S365-N415 PolarHBondContact O-ND2 3.33Å
366	V	97.1	Very high	97.8	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.055	19%	0.187	C	C	.	.			trans	-82.7	134.5	172.6	173.8	0	0	0	0	110.1	N332 I336 L341 I360 I364 T411	N332-V366 PolarHBondContact ND2-O 3.06Å; I336-V366 HydrophobicContact CG1-CG1 4.42Å; L341-V366 HydrophobicContact CD1-CG1 4.06Å; I360-V366 HydrophobicContact CG2-CB 4.43Å; I360-V366 HydrophobicContact CG2-CG2 3.59Å; I364-V366 HydrophobicContact CD1-CG2 4.31Å; V366-T411 HydrophobicContact CG2-CG2 4.18Å
367	D	97.2	Very high	97.8	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.193	C	C	.	.			trans	-139	166.4	172.3	-174.7	70.5	0	0	0	110.7	K183 S327 H328 S407 H410 T411 E414	K183-D367 IonicContact NZ-OD1 2.69Å; K183-D367 PolarHBondContact NZ-OD1 3.21Å; K183-D367 IonicContact NZ-OD2 3.94Å; K183-D367 PolarHBondContact NZ-OD2 3.41Å; S327-D367 WeakPolarHBondContact CB-OD2 3.44Å; S327-D367 PolarHBondContact OG-OD2 3.12Å; H328-D367 IonicContact CD2-OD1 2.77Å; H328-D367 IonicContact NE2-OD1 2.84Å; D367-S407 WeakPolarHBondContact O-CA 3.34Å; D367-S407 WeakPolarHBondContact O-CB 3.34Å; D367-H410 HydrophobicContact CB-CB 4.05Å; D367-H410 IonicContact OD2-CD2 3.36Å; D367-H410 PolarHBondContact OD2-CD2 3.37Å; D367-H410 VanDerWaalsContact OD2-CD2 3.29Å; D367-H410 IonicContact OD2-CG 2.9Å; D367-T411 PolarHBondContact N-OG1 2.78Å; D367-T411 PolarHBondContact O-OG1 2.99Å; D367-E414 WeakPolarHBondContact CB-OE1 3.35Å
368	G	97.7	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.			trans	-170	-173.3	164.3	0	0	0	0	0	112.9	S327 H328 F335 E406	S327-G368 CarbonylContact C-O 3.36Å; S327-G368 WeakPolarHBondContact CA-O 3.22Å; H328-G368 WeakPolarHBondContact CB-O 3.49Å; H328-G368 PolarHBondContact CD2-O 2.69Å; H328-G368 VanDerWaalsContact CD2-O 3.24Å; H328-G368 PolarHBondContact N-O 3.39Å; F335-G368 VanDerWaalsContact CE1-N 3.31Å; F335-G368 VanDerWaalsContact CZ-C 3.42Å; G368-E406 CarbonylContact C-O 3.5Å; G368-E406 WeakPolarHBondContact CA-O 3.33Å
369	G	97.2	Very high	97.9	Very high	19 Å²	19	33.9 Å²	33.9	20%	0.196	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	172.5	-98.3	178.6	0	0	0	0	0	111.2	K326 E406 H410	K326-G369 CarbonylContact O-C 3.59Å; K326-G369 VanDerWaalsContact O-CA 3.28Å; K326-G369 WeakPolarHBondContact O-CA 3.35Å; G369-E406 PolarHBondContact N-O 2.69Å; G369-H410 PolarHBondContact N-NE2 2.83Å
370	S	98.2	Very high	98	Very high	17 Å²	17	27.5 Å²	27.5	12%	0.119	16%	0.163	C	C	.	.			trans	-98.1	133.6	179.5	-162	0	0	0	0	112.7	K326 W372 H410 N426	K326-S370 PolarHBondContact O-N 2.86Å; S370-W372 PolarHBondContact O-N 2.61Å; S370-W372 PolarHBondContact OG-N 3.43Å; S370-H410 PolarHBondContact O-CE1 3.18Å; S370-N426 WeakPolarHBondContact CB-ND2 3.44Å; S370-N426 PolarHBondContact OG-ND2 2.87Å
371	D	98.4	Very high	98	Very high	26 Å²	26	29.3 Å²	29.3	14%	0.139	17%	0.171	C	C	.	.	S	Bend	trans	-69.3	-2.2	167	61.4	-38.1	0	0	0	114.5	N298 F373 A405 E406	N298-D371 PolarHBondContact ND2-O 2.93Å; D371-F373 WeakPolarHBondContact O-CD1 3.2Å; D371-F373 WeakPolarHBondContact O-CE1 3.39Å; D371-A405 HydrophobicContact CB-CB 4.02Å; D371-E406 HydrophobicContact CB-CG 3.76Å
372	W	98.8	Very high	98.1	Very high	13 Å²	13	30.6 Å²	30.6	5%	0.049	18%	0.175	C	C	.	.			trans	-103.8	125.3	176.7	-57.5	90.9	0	0	0	109.2	N298 S370 N426 R428 R475	N298-W372 HydrophobicContact CB-CE3 4.3Å; N298-W372 HydrophobicContact CB-CZ3 4.13Å; S370-W372 PolarHBondContact O-N 2.61Å; S370-W372 PolarHBondContact OG-N 3.43Å; W372-N426 WeakPolarHBondContact O-CB 3.37Å; W372-N426 PolarHBondContact O-ND2 2.84Å; W372-R428 HydrophobicContact CB-CG 3.92Å; W372-R475 VanDerWaalsContact CZ2-CZ 3.45Å
373	F	98.8	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.145	C	C	.	.			trans	-152.5	174.9	-170.2	44.9	-107.3	0	0	0	112.1	M282 F296 N298 F324 I325 D371 L375 F409 R428	M282-F373 HydrophobicContact CE-CE2 4.22Å; F296-F373 HydrophobicContact CD1-CD2 4.43Å; F296-F373 AromaticContact CD1-CE2 3.95Å; F296-F373 HydrophobicContact CD1-CE2 3.95Å; F296-F373 HydrophobicContact CE1-CD2 4.5Å; F296-F373 AromaticContact CE1-CE2 3.68Å; F296-F373 HydrophobicContact CE1-CE2 3.68Å; F296-F373 HydrophobicContact CE1-CZ 4.49Å; N298-F373 PolarHBondContact OD1-N 3.24Å; N298-F373 PolarHBondContact OD1-O 3.16Å; F324-F373 CarbonylContact O-C 3.58Å; F324-F373 VanDerWaalsContact O-CA 3.3Å; F324-F373 WeakPolarHBondContact O-CA 3.34Å; F324-F373 WeakPolarHBondContact O-CB 3.08Å; I325-F373 HydrophobicContact CB-CB 4.36Å; I325-F373 HydrophobicContact CD1-CB 4.46Å; I325-F373 HydrophobicContact CD1-CD1 4.44Å; I325-F373 HydrophobicContact CG1-CB 4.13Å; D371-F373 WeakPolarHBondContact O-CD1 3.2Å; D371-F373 WeakPolarHBondContact O-CE1 3.39Å; F373-L375 HydrophobicContact CD2-CD1 3.82Å; F373-L375 HydrophobicContact CD2-CD2 4.41Å; F373-L375 HydrophobicContact CD2-CG 3.68Å; F373-L375 HydrophobicContact CE2-CD1 3.75Å; F373-L375 HydrophobicContact CE2-CG 4.12Å; F373-L375 HydrophobicContact CG-CG 4.38Å; F373-F409 HydrophobicContact CD1-CD2 4.37Å; F373-F409 AromaticContact CE1-CD2 3.48Å; F373-F409 HydrophobicContact CE1-CD2 3.48Å; F373-F409 VanDerWaalsContact CE1-CD2 3.48Å; F373-F409 AromaticContact CE1-CE2 3.79Å; F373-F409 HydrophobicContact CE1-CE2 3.79Å; F373-F409 HydrophobicContact CE1-CG 4.2Å; F373-F409 AromaticContact CZ-CD2 3.59Å; F373-F409 HydrophobicContact CZ-CD2 3.59Å; F373-F409 AromaticContact CZ-CE2 3.49Å; F373-F409 HydrophobicContact CZ-CE2 3.49Å; F373-F409 VanDerWaalsContact CZ-CE2 3.49Å; F373-F409 HydrophobicContact CZ-CG 4.23Å; F373-F409 HydrophobicContact CZ-CZ 4.05Å; F373-R428 PolarHBondContact O-NH2 3.19Å
374	L	98.9	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.5	163.3	-52.6	77.2	0	0	0	107.4	F295 F296 I297 L316 F324 N426 L427	F295-L374 HydrophobicContact CD1-CB 4.45Å; F296-L374 WeakPolarHBondContact O-CA 3.37Å; I297-L374 HydrophobicContact CD1-CD2 3.46Å; I297-L374 VanDerWaalsContact CD1-CD2 3.46Å; I297-L374 HydrophobicContact CD1-CG 4.01Å; I297-L374 HydrophobicContact CG1-CB 4.18Å; I297-L374 HydrophobicContact CG1-CD2 3.81Å; I297-L374 HydrophobicContact CG1-CG 3.82Å; I297-L374 HydrophobicContact CG2-CG 4.26Å; L316-L374 HydrophobicContact CD1-CD2 3.95Å; L316-L374 HydrophobicContact CD2-CD2 3.96Å; F324-L374 HydrophobicContact CB-CB 4.07Å; F324-L374 HydrophobicContact CB-CD1 4.05Å; F324-L374 HydrophobicContact CD2-CB 4.32Å; F324-L374 PolarHBondContact N-O 3.4Å; F324-L374 PolarHBondContact O-N 3.18Å; L374-N426 VanDerWaalsContact CD1-O 3.23Å; L374-N426 WeakPolarHBondContact CD1-O 3.32Å; L374-L427 HydrophobicContact CD1-CB 4.04Å; L374-L427 HydrophobicContact CD1-CD1 3.86Å; L374-L427 HydrophobicContact CD1-CG 4.01Å; L374-L427 HydrophobicContact CD2-CD1 3.79Å
375	L	98.9	Very high	98.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.7	-177.5	-58.1	176.5	0	0	0	110	M282 F295 F296 N323 F373 F379 V380 F409	M282-L375 HydrophobicContact CE-CD1 4.04Å; F295-L375 WeakPolarHBondContact CA-O 3.36Å; F295-L375 WeakPolarHBondContact CD1-O 3.37Å; F296-L375 PolarHBondContact N-O 3.03Å; F296-L375 PolarHBondContact O-N 2.76Å; N323-L375 HydrophobicContact CB-CD2 4.1Å; N323-L375 VanDerWaalsContact OD1-CA 3.27Å; N323-L375 WeakPolarHBondContact OD1-CA 3.27Å; F373-L375 HydrophobicContact CD2-CD1 3.82Å; F373-L375 HydrophobicContact CD2-CD2 4.41Å; F373-L375 HydrophobicContact CD2-CG 3.68Å; F373-L375 HydrophobicContact CE2-CD1 3.75Å; F373-L375 HydrophobicContact CE2-CG 4.12Å; F373-L375 HydrophobicContact CG-CG 4.38Å; L375-F379 HydrophobicContact CB-CD1 4.42Å; L375-F379 HydrophobicContact CD1-CD1 4.13Å; L375-F379 HydrophobicContact CD1-CE1 4.13Å; L375-F379 HydrophobicContact CD2-CD1 3.97Å; L375-F379 HydrophobicContact CD2-CE1 4.13Å; L375-F379 HydrophobicContact CG-CD1 4.38Å; L375-V380 HydrophobicContact CB-CG2 3.8Å; L375-V380 HydrophobicContact CD1-CG2 4.44Å; L375-F409 HydrophobicContact CD1-CD1 3.71Å; L375-F409 HydrophobicContact CD1-CE1 4.11Å; L375-F409 HydrophobicContact CD1-CG 4.25Å
376	N	98.8	Very high	98.5	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.053	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	158.5	176	67.4	48.1	0	0	0	111.5	D294 F295 R320 D321 L322 N323 V378 F379 V380	D294-N376 CarbonylContact O-C 3.59Å; D294-N376 WeakPolarHBondContact O-CA 3.36Å; F295-N376 HydrophobicContact CD1-CB 4.28Å; F295-N376 HydrophobicContact CE1-CB 3.92Å; F295-N376 HydrophobicContact CZ-CB 4.28Å; R320-N376 WeakPolarHBondContact O-CB 3.36Å; D321-N376 PolarHBondContact O-ND2 3.49Å; L322-N376 PolarHBondContact O-ND2 3.4Å; N323-N376 PolarHBondContact ND2-ND2 3.07Å; N323-N376 VanDerWaalsContact ND2-ND2 3.16Å; N323-N376 PolarHBondContact OD1-N 2.81Å; N376-V378 VanDerWaalsContact C-N 3.25Å; N376-V378 PolarHBondContact O-N 3.09Å; N376-V378 PolarHBondContact OD1-N 3.01Å; N376-F379 PolarHBondContact O-N 2.04Å; N376-F379 PolarHBondContact OD1-N 3.47Å; N376-V380 WeakPolarHBondContact O-CG2 3.39Å; N376-V380 PolarHBondContact O-N 3.39Å; N376-V380 VanDerWaalsContact O-N 3.13Å
377	R	98.8	Very high	98.5	Very high	68 Å²	68	34 Å²	34	26%	0.257	17%	0.173	S	C	.	.	H	α-helix	trans	-55.7	-39.7	-177	-169.7	-169.4	-175.7	89.1	5.7	112.4	L286 W293 D294 V380 E381	L286-R377 HydrophobicContact CD2-CG 4.2Å; W293-R377 VanDerWaalsContact CE2-NH1 3.28Å; W293-R377 HydrophobicContact CE3-CB 4.13Å; W293-R377 HydrophobicContact CE3-CG 4.25Å; W293-R377 HydrophobicContact CH2-CB 4.22Å; W293-R377 HydrophobicContact CH2-CG 3.84Å; W293-R377 HydrophobicContact CZ2-CG 4.29Å; W293-R377 HydrophobicContact CZ3-CB 3.74Å; W293-R377 HydrophobicContact CZ3-CG 3.84Å; W293-R377 WeakPolarHBondContact O-CD 3.43Å; W293-R377 PolarHBondContact O-NH1 3.02Å; D294-R377 PolarHBondContact O-N 2.99Å; R377-V380 PolarHBondContact O-N 3.36Å; R377-E381 VanDerWaalsContact O-CB 3.28Å; R377-E381 WeakPolarHBondContact O-CB 3.43Å; R377-E381 PolarHBondContact O-N 3.36Å
378	V	98.8	Very high	98.5	Very high	85 Å²	85	35.3 Å²	35.3	52%	0.515	18%	0.179	S	C	.	.	H	α-helix	trans	-62.5	-46.8	-176.1	-177.8	0	0	0	0	111	N376 E381 Y382	N376-V378 VanDerWaalsContact C-N 3.25Å; N376-V378 PolarHBondContact O-N 3.09Å; N376-V378 PolarHBondContact OD1-N 3.01Å; V378-E381 PolarHBondContact O-N 2.85Å; V378-Y382 PolarHBondContact O-N 3.4Å
379	F	98.9	Very high	98.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-36.2	176.8	179.9	-114.5	0	0	0	112.6	N323 L375 N376 E381 Y382 V383 F409 V412 L413 H418	N323-F379 WeakPolarHBondContact ND2-CB 3.45Å; L375-F379 HydrophobicContact CB-CD1 4.42Å; L375-F379 HydrophobicContact CD1-CD1 4.13Å; L375-F379 HydrophobicContact CD1-CE1 4.13Å; L375-F379 HydrophobicContact CD2-CD1 3.97Å; L375-F379 HydrophobicContact CD2-CE1 4.13Å; L375-F379 HydrophobicContact CG-CD1 4.38Å; N376-F379 PolarHBondContact O-N 2.04Å; N376-F379 PolarHBondContact OD1-N 3.47Å; F379-E381 VanDerWaalsContact C-N 3.34Å; F379-Y382 HydrophobicContact CD2-CD1 4.01Å; F379-Y382 AromaticContact CE2-CD1 3.96Å; F379-Y382 HydrophobicContact CE2-CD1 3.96Å; F379-Y382 HydrophobicContact CE2-CE1 4.37Å; F379-Y382 PolarHBondContact O-N 2.84Å; F379-V383 HydrophobicContact CD1-CG2 4.25Å; F379-V383 HydrophobicContact CD2-CG2 4.24Å; F379-V383 HydrophobicContact CE1-CG2 3.8Å; F379-V383 HydrophobicContact CE2-CG2 3.78Å; F379-V383 HydrophobicContact CG-CG2 4.46Å; F379-V383 HydrophobicContact CZ-CG2 3.54Å; F379-V383 WeakPolarHBondContact O-CB 3.24Å; F379-V383 VanDerWaalsContact O-CG2 3.29Å; F379-V383 WeakPolarHBondContact O-CG2 3.5Å; F379-V383 PolarHBondContact O-N 2.79Å; F379-F409 HydrophobicContact CE1-CD1 4.5Å; F379-V412 HydrophobicContact CE2-CG1 4.15Å; F379-V412 HydrophobicContact CZ-CB 4.44Å; F379-V412 HydrophobicContact CZ-CG1 4.11Å; F379-L413 HydrophobicContact CD1-CD1 4.42Å; F379-L413 HydrophobicContact CD2-CD1 3.77Å; F379-L413 HydrophobicContact CE1-CB 4.22Å; F379-L413 HydrophobicContact CE1-CD1 4.32Å; F379-L413 HydrophobicContact CE2-CB 3.99Å; F379-L413 HydrophobicContact CE2-CD1 3.66Å; F379-L413 HydrophobicContact CE2-CG 4.43Å; F379-L413 HydrophobicContact CG-CD1 4.17Å; F379-L413 HydrophobicContact CZ-CB 3.61Å; F379-L413 HydrophobicContact CZ-CD1 3.96Å; F379-L413 HydrophobicContact CZ-CG 4.32Å; F379-H418 HydrophobicContact CD2-CB 4.02Å
380	V	98.9	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-40.5	173.6	175	0	0	0	0	111.3	M282 L286 W293 F296 L375 N376 R377 V383 I384	M282-V380 HydrophobicContact CB-CG1 3.63Å; M282-V380 HydrophobicContact CE-CG2 4.34Å; M282-V380 HydrophobicContact CG-CG1 3.61Å; M282-V380 HydrophobicContact SD-CG1 3.94Å; M282-V380 HydrophobicContact SD-CG2 4.41Å; L286-V380 HydrophobicContact CD1-CG1 4.34Å; W293-V380 HydrophobicContact CH2-CB 4.05Å; W293-V380 HydrophobicContact CH2-CG1 3.84Å; W293-V380 HydrophobicContact CH2-CG2 4.46Å; F296-V380 HydrophobicContact CB-CG2 4.12Å; L375-V380 HydrophobicContact CB-CG2 3.8Å; L375-V380 HydrophobicContact CD1-CG2 4.44Å; N376-V380 WeakPolarHBondContact O-CG2 3.39Å; N376-V380 PolarHBondContact O-N 3.39Å; N376-V380 VanDerWaalsContact O-N 3.13Å; R377-V380 PolarHBondContact O-N 3.36Å; V380-V383 PolarHBondContact O-N 2.67Å; V380-I384 WeakPolarHBondContact O-CG1 3.48Å; V380-I384 PolarHBondContact O-N 2.69Å
381	E	98.8	Very high	98.7	Very high	87 Å²	87	36.1 Å²	36.1	41%	0.407	18%	0.178	S	C	.	.	H	α-helix	trans	-64.1	-42.7	175.9	-177.3	155	-159.6	0	0	111.8	L286 R377 V378 F379 I384 N385	L286-E381 HydrophobicContact CD1-CB 4.44Å; L286-E381 HydrophobicContact CD2-CB 4.17Å; R377-E381 VanDerWaalsContact O-CB 3.28Å; R377-E381 WeakPolarHBondContact O-CB 3.43Å; R377-E381 PolarHBondContact O-N 3.36Å; V378-E381 PolarHBondContact O-N 2.85Å; F379-E381 VanDerWaalsContact C-N 3.34Å; E381-I384 PolarHBondContact O-N 3.38Å; E381-N385 VanDerWaalsContact O-CB 3.32Å; E381-N385 WeakPolarHBondContact O-CB 3.39Å; E381-N385 PolarHBondContact O-N 3.29Å
382	Y	98.9	Very high	98.7	Very high	32 Å²	32	38.3 Å²	38.3	13%	0.125	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-51.8	170.1	170.9	-101.8	0	0	0	112.4	V378 F379 I384 S386 D388 V391 V412 S416 H418	V378-Y382 PolarHBondContact O-N 3.4Å; F379-Y382 HydrophobicContact CD2-CD1 4.01Å; F379-Y382 AromaticContact CE2-CD1 3.96Å; F379-Y382 HydrophobicContact CE2-CD1 3.96Å; F379-Y382 HydrophobicContact CE2-CE1 4.37Å; F379-Y382 PolarHBondContact O-N 2.84Å; Y382-I384 VanDerWaalsContact C-N 3.27Å; Y382-I384 PolarHBondContact O-N 3.08Å; Y382-S386 WeakPolarHBondContact O-CB 3.01Å; Y382-S386 PolarHBondContact O-N 2.84Å; Y382-D388 WeakPolarHBondContact CE2-OD2 3.29Å; Y382-D388 PolarHBondContact OH-OD2 2.89Å; Y382-V391 HydrophobicContact CD1-CG2 4.27Å; Y382-V391 HydrophobicContact CE1-CG2 3.55Å; Y382-V391 HydrophobicContact CE2-CG2 4.31Å; Y382-V412 HydrophobicContact CE1-CG1 3.92Å; Y382-S416 VanDerWaalsContact CE1-CB 3.41Å; Y382-H418 WeakPolarHBondContact CB-NE2 3.28Å; Y382-H418 AromaticContact CD1-CD2 3.71Å; Y382-H418 AromaticContact CD2-CD2 3.99Å; Y382-H418 AromaticContact CD2-NE2 3.73Å; Y382-H418 AromaticContact CG-CD2 3.55Å; Y382-H418 AromaticContact CG-NE2 3.51Å
383	V	98.8	Very high	98.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-36.5	-179.5	166.7	0	0	0	0	112.1	L279 F379 V380 V391 K395 F408 F409 V412	L279-V383 HydrophobicContact CD2-CG1 3.61Å; F379-V383 HydrophobicContact CD1-CG2 4.25Å; F379-V383 HydrophobicContact CD2-CG2 4.24Å; F379-V383 HydrophobicContact CE1-CG2 3.8Å; F379-V383 HydrophobicContact CE2-CG2 3.78Å; F379-V383 HydrophobicContact CG-CG2 4.46Å; F379-V383 HydrophobicContact CZ-CG2 3.54Å; F379-V383 WeakPolarHBondContact O-CB 3.24Å; F379-V383 VanDerWaalsContact O-CG2 3.29Å; F379-V383 WeakPolarHBondContact O-CG2 3.5Å; F379-V383 PolarHBondContact O-N 2.79Å; V380-V383 PolarHBondContact O-N 2.67Å; V383-V391 WeakPolarHBondContact O-CG1 3.06Å; V383-K395 WeakPolarHBondContact O-CE 3.42Å; V383-K395 PolarHBondContact O-NZ 3.29Å; V383-F408 HydrophobicContact CG1-CE1 3.88Å; V383-F408 HydrophobicContact CG1-CZ 4.14Å; V383-F409 HydrophobicContact CG1-CE1 4.31Å; V383-V412 HydrophobicContact CG2-CG1 4.06Å
384	I	98.8	Very high	98.7	Very high	30 Å²	30	38.7 Å²	38.7	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-82.6	-54.1	179.4	-62.4	-54.1	0	0	0	111.9	L279 M282 A283 L286 V380 E381 Y382 K395	L279-I384 HydrophobicContact CB-CD1 4.24Å; L279-I384 HydrophobicContact CD2-CD1 3.92Å; L279-I384 VanDerWaalsContact O-CD1 3.23Å; L279-I384 WeakPolarHBondContact O-CD1 3.48Å; M282-I384 HydrophobicContact CB-CD1 3.82Å; M282-I384 HydrophobicContact CB-CG1 3.8Å; A283-I384 HydrophobicContact CB-CG2 3.93Å; L286-I384 HydrophobicContact CD1-CB 3.8Å; L286-I384 HydrophobicContact CD1-CG1 3.93Å; L286-I384 HydrophobicContact CD1-CG2 4.12Å; V380-I384 WeakPolarHBondContact O-CG1 3.48Å; V380-I384 PolarHBondContact O-N 2.69Å; E381-I384 PolarHBondContact O-N 3.38Å; Y382-I384 VanDerWaalsContact C-N 3.27Å; Y382-I384 PolarHBondContact O-N 3.08Å; I384-K395 PolarHBondContact O-NZ 2.6Å
385	N	98.5	Very high	98.7	Very high	97 Å²	97	41.8 Å²	41.8	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-88.4	-19.4	-166.8	-67.4	-24	0	0	0	114.7	E381	E381-N385 VanDerWaalsContact O-CB 3.32Å; E381-N385 WeakPolarHBondContact O-CB 3.39Å; E381-N385 PolarHBondContact O-N 3.29Å
386	S	98.4	Very high	98.6	Very high	30 Å²	30	46.9 Å²	46.9	21%	0.21	23%	0.228	C	C	.	.			trans	-66	142.6	-179.9	-169	0	0	0	0	112.2	Y382 D388	Y382-S386 WeakPolarHBondContact O-CB 3.01Å; Y382-S386 PolarHBondContact O-N 2.84Å; S386-D388 PolarHBondContact OG-N 3.03Å; S386-D388 VanDerWaalsContact OG-N 3.15Å; S386-D388 PolarHBondContact OG-OD2 3.29Å
387	K	97.6	Very high	98.6	Very high	195 Å²	195	46.5 Å²	46.5	85%	0.848	23%	0.226	S	C	*	.			trans	-116.3	16.4	173.4	-59	-179.5	-178.2	177.5	0	111.6
388	D	98.2	Very high	98.6	Very high	30 Å²	30	43.3 Å²	43.3	16%	0.16	21%	0.214	C	C	.	.	S	Bend	trans	-65.4	167.7	173.2	70.4	51.1	0	0	0	111.8	Y177 Y382 S386 L390 V391 T392	Y177-D388 HydrophobicContact CE2-CB 3.8Å; Y382-D388 WeakPolarHBondContact CE2-OD2 3.29Å; Y382-D388 PolarHBondContact OH-OD2 2.89Å; S386-D388 PolarHBondContact OG-N 3.03Å; S386-D388 VanDerWaalsContact OG-N 3.15Å; S386-D388 PolarHBondContact OG-OD2 3.29Å; D388-L390 VanDerWaalsContact C-N 3.32Å; D388-L390 PolarHBondContact O-N 2.57Å; D388-L390 WeakPolarHBondContact OD1-CA 3.16Å; D388-L390 WeakPolarHBondContact OD1-CB 3.45Å; D388-L390 PolarHBondContact OD1-N 2.75Å; D388-V391 PolarHBondContact OD1-N 2.9Å; D388-T392 WeakPolarHBondContact O-CB 3.36Å; D388-T392 PolarHBondContact O-N 2.93Å; D388-T392 VanDerWaalsContact O-N 3.1Å; D388-T392 PolarHBondContact O-OG1 3.47Å
389	D	98.6	Very high	98.6	Very high	53 Å²	53	41.4 Å²	41.4	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-64.8	-35.4	-175	-177.1	60	0	0	0	112.4	T175 Y177 N393	T175-D389 VanDerWaalsContact CB-OD2 3.31Å; T175-D389 WeakPolarHBondContact CB-OD2 3.27Å; T175-D389 PolarHBondContact N-OD2 2.9Å; T175-D389 PolarHBondContact OG1-OD2 2.96Å; Y177-D389 WeakPolarHBondContact OH-CB 3.47Å; Y177-D389 PolarHBondContact OH-N 3.47Å; D389-N393 VanDerWaalsContact O-CB 3.26Å; D389-N393 WeakPolarHBondContact O-CB 3.14Å; D389-N393 PolarHBondContact O-N 2.83Å; D389-N393 PolarHBondContact O-ND2 2.82Å; D389-N393 VanDerWaalsContact O-ND2 3.08Å; D389-N393 PolarHBondContact OD1-ND2 3.27Å
390	L	98.8	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-56.6	-179.9	175.9	66	0	0	0	111.2	V174 Y177 I364 D388 T392 N393 M394 N415	V174-L390 HydrophobicContact CG1-CB 4.3Å; V174-L390 HydrophobicContact CG1-CD1 3.88Å; Y177-L390 HydrophobicContact CD2-CB 3.98Å; Y177-L390 HydrophobicContact CD2-CD2 4.4Å; Y177-L390 HydrophobicContact CE2-CB 3.84Å; I364-L390 HydrophobicContact CG2-CD1 3.99Å; D388-L390 VanDerWaalsContact C-N 3.32Å; D388-L390 PolarHBondContact O-N 2.57Å; D388-L390 WeakPolarHBondContact OD1-CA 3.16Å; D388-L390 WeakPolarHBondContact OD1-CB 3.45Å; D388-L390 PolarHBondContact OD1-N 2.75Å; L390-T392 VanDerWaalsContact C-N 3.31Å; L390-T392 PolarHBondContact O-N 2.85Å; L390-N393 PolarHBondContact O-N 2.94Å; L390-M394 HydrophobicContact CD1-CG 3.84Å; L390-M394 HydrophobicContact CG-CG 4.48Å; L390-M394 VanDerWaalsContact O-CB 3.23Å; L390-M394 WeakPolarHBondContact O-CB 3.35Å; L390-M394 WeakPolarHBondContact O-CG 3.45Å; L390-M394 PolarHBondContact O-N 3.47Å; L390-N415 HydrophobicContact CD1-CB 3.89Å; L390-N415 VanDerWaalsContact CD2-C 3.42Å; L390-N415 HydrophobicContact CD2-CB 3.71Å; L390-N415 HydrophobicContact CG-CB 4.48Å
391	V	98.7	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-37.6	-176.8	172.2	0	0	0	0	110.7	Y382 V383 D388 K395 V412	Y382-V391 HydrophobicContact CD1-CG2 4.27Å; Y382-V391 HydrophobicContact CE1-CG2 3.55Å; Y382-V391 HydrophobicContact CE2-CG2 4.31Å; V383-V391 WeakPolarHBondContact O-CG1 3.06Å; D388-V391 PolarHBondContact OD1-N 2.9Å; V391-K395 HydrophobicContact CG1-CD 4.01Å; V391-K395 VanDerWaalsContact CG1-CE 3.45Å; V391-K395 WeakPolarHBondContact O-CB 3.29Å; V391-K395 WeakPolarHBondContact O-CD 3.39Å; V391-K395 VanDerWaalsContact O-CG 3.23Å; V391-K395 WeakPolarHBondContact O-CG 3.26Å; V391-K395 PolarHBondContact O-N 3.27Å; V391-K395 VanDerWaalsContact O-N 3.09Å; V391-V412 HydrophobicContact CG2-CG1 4.08Å
392	T	98.6	Very high	98.6	Very high	73 Å²	73	39.2 Å²	39.2	45%	0.448	20%	0.195	S	C	.	.	H	α-helix	trans	-66	-51.2	177.8	-56.5	0	0	0	0	111.5	D388 L390 K395 R396	D388-T392 WeakPolarHBondContact O-CB 3.36Å; D388-T392 PolarHBondContact O-N 2.93Å; D388-T392 VanDerWaalsContact O-N 3.1Å; D388-T392 PolarHBondContact O-OG1 3.47Å; L390-T392 VanDerWaalsContact C-N 3.31Å; L390-T392 PolarHBondContact O-N 2.85Å; T392-K395 PolarHBondContact O-N 2.76Å; T392-R396 PolarHBondContact O-N 3.12Å
393	N	98.6	Very high	98.6	Very high	20 Å²	20	38.8 Å²	38.8	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-74.3	-30.4	-178.1	-75.9	-51.5	0	0	0	113.3	P171 V174 D389 L390 R396 F397	P171-N393 HydrophobicContact CB-CB 4.05Å; P171-N393 HydrophobicContact CG-CB 4Å; V174-N393 HydrophobicContact CG1-CB 4.34Å; V174-N393 HydrophobicContact CG2-CB 3.65Å; D389-N393 VanDerWaalsContact O-CB 3.26Å; D389-N393 WeakPolarHBondContact O-CB 3.14Å; D389-N393 PolarHBondContact O-N 2.83Å; D389-N393 PolarHBondContact O-ND2 2.82Å; D389-N393 VanDerWaalsContact O-ND2 3.08Å; D389-N393 PolarHBondContact OD1-ND2 3.27Å; L390-N393 PolarHBondContact O-N 2.94Å; N393-R396 PolarHBondContact O-N 3.03Å; N393-F397 WeakPolarHBondContact O-CB 3.33Å; N393-F397 PolarHBondContact O-N 2.87Å
394	M	98.7	Very high	98.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-40.9	172.7	-69.8	-60.4	99.5	0	0	112.1	V174 P361 I364 L390 R396 F397 Y398 F408 T411 V412	V174-M394 HydrophobicContact CG1-CE 4.47Å; V174-M394 HydrophobicContact CG2-CE 4Å; P361-M394 HydrophobicContact CG-CE 4.36Å; I364-M394 HydrophobicContact CD1-CE 3.47Å; I364-M394 VanDerWaalsContact CD1-CE 3.47Å; I364-M394 HydrophobicContact CD1-SD 3.91Å; L390-M394 HydrophobicContact CD1-CG 3.84Å; L390-M394 HydrophobicContact CG-CG 4.48Å; L390-M394 VanDerWaalsContact O-CB 3.23Å; L390-M394 WeakPolarHBondContact O-CB 3.35Å; L390-M394 WeakPolarHBondContact O-CG 3.45Å; L390-M394 PolarHBondContact O-N 3.47Å; M394-R396 PolarHBondContact O-N 2.94Å; M394-F397 HydrophobicContact CE-CB 4.3Å; M394-F397 PolarHBondContact O-N 2.86Å; M394-Y398 HydrophobicContact CB-CD2 4.32Å; M394-Y398 WeakPolarHBondContact O-CB 3.36Å; M394-Y398 WeakPolarHBondContact O-CD2 3.18Å; M394-Y398 PolarHBondContact O-N 3.38Å; M394-Y398 HydrophobicContact SD-CD2 4.13Å; M394-Y398 HydrophobicContact SD-CE2 3.72Å; M394-F408 HydrophobicContact CB-CD2 4.27Å; M394-F408 HydrophobicContact CB-CE2 3.97Å; M394-T411 HydrophobicContact SD-CG2 3.62Å; M394-V412 HydrophobicContact CB-CG2 3.69Å; M394-V412 HydrophobicContact CG-CG2 3.87Å
395	K	98.8	Very high	98.5	Very high	65 Å²	65	37.4 Å²	37.4	28%	0.283	19%	0.188	S	C	.	.	H	α-helix	trans	-56.9	-40.6	171.9	-76.6	167.7	-178.4	165.6	0	111.3	L279 V383 I384 V391 T392 A399 F408	L279-K395 HydrophobicContact CD1-CG 4.45Å; V383-K395 WeakPolarHBondContact O-CE 3.42Å; V383-K395 PolarHBondContact O-NZ 3.29Å; I384-K395 PolarHBondContact O-NZ 2.6Å; V391-K395 HydrophobicContact CG1-CD 4.01Å; V391-K395 VanDerWaalsContact CG1-CE 3.45Å; V391-K395 WeakPolarHBondContact O-CB 3.29Å; V391-K395 WeakPolarHBondContact O-CD 3.39Å; V391-K395 VanDerWaalsContact O-CG 3.23Å; V391-K395 WeakPolarHBondContact O-CG 3.26Å; V391-K395 PolarHBondContact O-N 3.27Å; V391-K395 VanDerWaalsContact O-N 3.09Å; T392-K395 PolarHBondContact O-N 2.76Å; K395-A399 PolarHBondContact O-N 2.99Å; K395-F408 HydrophobicContact CG-CE2 4.27Å; K395-F408 HydrophobicContact CG-CZ 4.34Å
396	R	98.4	Very high	98.6	Very high	107 Å²	107	34 Å²	34	40%	0.404	17%	0.169	S	C	.	.	H	α-helix	trans	-68.5	-48.8	176.8	-176.3	-179.7	-178.2	172.2	2.8	113.2	Q168 L169 T392 N393 M394	Q168-R396 PolarHBondContact O-NH2 3.06Å; L169-R396 PolarHBondContact O-NE 3.35Å; T392-R396 PolarHBondContact O-N 3.12Å; N393-R396 PolarHBondContact O-N 3.03Å; M394-R396 PolarHBondContact O-N 2.94Å
397	F	98.8	Very high	98.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-44.8	-179.9	-179.5	-92.4	0	0	0	111.7	M170 P171 R358 I360 P361 N393 M394 A399 Y400 T401	M170-F397 HydrophobicContact SD-CD2 3.72Å; M170-F397 HydrophobicContact SD-CE2 4.25Å; M170-F397 HydrophobicContact SD-CG 4.43Å; P171-F397 HydrophobicContact CG-CB 4.43Å; R358-F397 PolarHBondContact NH1-O 2.57Å; I360-F397 HydrophobicContact CD1-CZ 4.17Å; P361-F397 HydrophobicContact CG-CD2 3.99Å; P361-F397 HydrophobicContact CG-CE2 4.11Å; N393-F397 WeakPolarHBondContact O-CB 3.33Å; N393-F397 PolarHBondContact O-N 2.87Å; M394-F397 HydrophobicContact CE-CB 4.3Å; M394-F397 PolarHBondContact O-N 2.86Å; F397-A399 VanDerWaalsContact C-N 3.34Å; F397-A399 PolarHBondContact O-N 3.18Å; F397-Y400 PolarHBondContact O-N 3.1Å; F397-T401 PolarHBondContact O-OG1 3.11Å
398	Y	98.8	Very high	98.6	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-78.7	-10.7	-176.1	-78.4	-81	0	0	0	115.3	L275 L341 M394 Y400 T401 P404 S407 F408 T411	L275-Y398 HydrophobicContact CD2-CG 4.48Å; L341-Y398 HydrophobicContact CD2-CE1 4.03Å; M394-Y398 HydrophobicContact CB-CD2 4.32Å; M394-Y398 WeakPolarHBondContact O-CB 3.36Å; M394-Y398 WeakPolarHBondContact O-CD2 3.18Å; M394-Y398 PolarHBondContact O-N 3.38Å; M394-Y398 HydrophobicContact SD-CD2 4.13Å; M394-Y398 HydrophobicContact SD-CE2 3.72Å; Y398-Y400 PolarHBondContact O-N 3.03Å; Y398-T401 WeakPolarHBondContact CA-OG1 3.06Å; Y398-T401 HydrophobicContact CD1-CG2 3.65Å; Y398-T401 HydrophobicContact CE1-CG2 3.88Å; Y398-P404 HydrophobicContact CD1-CB 3.78Å; Y398-P404 HydrophobicContact CG-CB 4.49Å; Y398-S407 WeakPolarHBondContact CE1-OG 3.47Å; Y398-S407 WeakPolarHBondContact OH-CB 3.41Å; Y398-S407 PolarHBondContact OH-O 3.34Å; Y398-F408 HydrophobicContact CD1-CB 3.98Å; Y398-F408 HydrophobicContact CD2-CB 4.04Å; Y398-F408 AromaticContact CD2-CD2 3.6Å; Y398-F408 HydrophobicContact CD2-CD2 3.6Å; Y398-F408 HydrophobicContact CD2-CG 4.3Å; Y398-F408 HydrophobicContact CE1-CB 4.22Å; Y398-F408 HydrophobicContact CE2-CB 4.25Å; Y398-F408 HydrophobicContact CE2-CD2 4.33Å; Y398-F408 HydrophobicContact CG-CB 3.87Å; Y398-F408 AromaticContact CG-CD2 3.83Å; Y398-F408 HydrophobicContact CG-CD2 3.83Å; Y398-F408 HydrophobicContact CG-CG 4.34Å; Y398-T411 PolarHBondContact OH-OG1 3.4Å; Y398-T411 VanDerWaalsContact OH-OG1 3.1Å
399	A	98.6	Very high	98.7	Very high	45 Å²	45	21.9 Å²	21.9	37%	0.372	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.2	168.3	0	0	0	0	0	113.3	K395 F397	K395-A399 PolarHBondContact O-N 2.99Å; F397-A399 VanDerWaalsContact C-N 3.34Å; F397-A399 PolarHBondContact O-N 3.18Å
400	Y	98.7	Very high	98.7	Very high	40 Å²	40	19.4 Å²	19.4	16%	0.157	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	33.7	-177.6	-61.5	-85.5	0	0	0	112.4	V160 L169 M170 L344 F345 Y346 R358 F397 Y398	V160-Y400 HydrophobicContact CB-CE1 4.34Å; V160-Y400 HydrophobicContact CG1-CD1 3.75Å; V160-Y400 HydrophobicContact CG1-CE1 3.59Å; V160-Y400 HydrophobicContact CG2-CE1 3.72Å; L169-Y400 HydrophobicContact CD1-CE1 4.38Å; L169-Y400 HydrophobicContact CD1-CE2 3.91Å; L169-Y400 HydrophobicContact CD2-CD1 4.24Å; L169-Y400 HydrophobicContact CD2-CD2 4.42Å; L169-Y400 HydrophobicContact CD2-CE1 4.29Å; L169-Y400 HydrophobicContact CD2-CE2 4.47Å; L169-Y400 HydrophobicContact CD2-CG 4.31Å; L169-Y400 HydrophobicContact CG-CD2 4.47Å; L169-Y400 HydrophobicContact CG-CE2 4.27Å; M170-Y400 HydrophobicContact CE-CD2 3.61Å; M170-Y400 HydrophobicContact CE-CE2 4.49Å; M170-Y400 HydrophobicContact CE-CG 4Å; L344-Y400 HydrophobicContact CD1-CG 4.25Å; F345-Y400 PolarHBondContact N-O 2.77Å; F345-Y400 CarbonylContact O-C 3.54Å; F345-Y400 WeakPolarHBondContact O-CA 3.3Å; F345-Y400 WeakPolarHBondContact O-CB 3.02Å; Y346-Y400 AromaticContact CD2-CD1 3.9Å; Y346-Y400 HydrophobicContact CD2-CD1 3.9Å; Y346-Y400 AromaticContact CD2-CE1 3.64Å; Y346-Y400 HydrophobicContact CD2-CE1 3.64Å; Y346-Y400 HydrophobicContact CE2-CE1 4.02Å; R358-Y400 PolarHBondContact NH1-O 2.86Å; F397-Y400 PolarHBondContact O-N 3.1Å; Y398-Y400 PolarHBondContact O-N 3.03Å
401	T	98.8	Very high	98.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.			trans	-123.5	138.1	-171.7	-66.2	0	0	0	0	111.6	L341 M352 R358 F397 Y398 P404	L341-T401 HydrophobicContact CD2-CG2 3.52Å; M352-T401 WeakPolarHBondContact CE-O 3.48Å; R358-T401 PolarHBondContact NH1-OG1 2.96Å; R358-T401 VanDerWaalsContact NH1-OG1 3.16Å; R358-T401 PolarHBondContact NH2-OG1 2.82Å; F397-T401 PolarHBondContact O-OG1 3.11Å; Y398-T401 WeakPolarHBondContact CA-OG1 3.06Å; Y398-T401 HydrophobicContact CD1-CG2 3.65Å; Y398-T401 HydrophobicContact CE1-CG2 3.88Å; T401-P404 HydrophobicContact CG2-CB 4.25Å; T401-P404 WeakPolarHBondContact O-CD 3.26Å
402	L	98.6	Very high	98.6	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.098	C	C	.	.	S	Bend	trans	-73.3	138.8	167	-178.8	73.2	0	0	0	110.7	F345 M352 V446 W448	F345-L402 HydrophobicContact CD1-CB 4.29Å; F345-L402 HydrophobicContact CD2-CB 3.62Å; F345-L402 HydrophobicContact CE1-CB 4.26Å; F345-L402 HydrophobicContact CE1-CD2 4.26Å; F345-L402 HydrophobicContact CE2-CB 3.57Å; F345-L402 HydrophobicContact CE2-CD2 4.19Å; F345-L402 HydrophobicContact CE2-CG 4.48Å; F345-L402 HydrophobicContact CG-CB 3.98Å; F345-L402 HydrophobicContact CZ-CB 3.91Å; F345-L402 HydrophobicContact CZ-CD2 3.8Å; F345-L402 HydrophobicContact CZ-CG 4.38Å; M352-L402 HydrophobicContact CB-CD1 4.33Å; M352-L402 HydrophobicContact CE-CB 4.47Å; M352-L402 HydrophobicContact CE-CD1 4.39Å; M352-L402 HydrophobicContact CG-CD1 4.31Å; L402-V446 HydrophobicContact CD1-CB 4.23Å; L402-V446 HydrophobicContact CD1-CG1 4.19Å; L402-W448 HydrophobicContact CD2-CB 3.5Å; L402-W448 VanDerWaalsContact CD2-CB 3.5Å; L402-W448 VanDerWaalsContact CD2-CD1 3.47Å; L402-W448 HydrophobicContact CD2-CD2 4.16Å; L402-W448 HydrophobicContact CD2-CG 3.44Å; L402-W448 VanDerWaalsContact CD2-CG 3.44Å
403	L	98.3	Very high	98.6	Very high	23 Å²	23	15.9 Å²	15.9	12%	0.12	8%	0.077	C	C	.	.	S	Bend	trans	52.1	45.9	179.7	-65.5	157.2	0	0	0	113.3	W269 G270 A405 E406	W269-L403 HydrophobicContact CH2-CD1 3.8Å; W269-L403 HydrophobicContact CH2-CD2 4.01Å; W269-L403 HydrophobicContact CH2-CG 4.23Å; W269-L403 HydrophobicContact CZ2-CD1 4.37Å; W269-L403 HydrophobicContact CZ2-CD2 3.97Å; W269-L403 HydrophobicContact CZ3-CD1 4.44Å; W269-L403 HydrophobicContact CZ3-CD2 4.47Å; G270-L403 PolarHBondContact O-N 2.76Å; L403-A405 VanDerWaalsContact C-N 3.27Å; L403-A405 PolarHBondContact O-N 3.04Å; L403-A405 VanDerWaalsContact O-N 3.16Å; L403-E406 HydrophobicContact CB-CB 4.43Å; L403-E406 HydrophobicContact CB-CG 4.33Å; L403-E406 WeakPolarHBondContact O-CB 3.36Å; L403-E406 PolarHBondContact O-N 2.79Å
404	P	98.7	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-63.3	-31.7	-167.5	30.4	-39.7	0	0	0	113.3	G271 L275 Y398 T401 E406 S407 F408	G271-P404 WeakPolarHBondContact O-CD 3.34Å; L275-P404 HydrophobicContact CB-CB 3.97Å; L275-P404 HydrophobicContact CB-CG 3.63Å; L275-P404 HydrophobicContact CD2-CB 3.98Å; Y398-P404 HydrophobicContact CD1-CB 3.78Å; Y398-P404 HydrophobicContact CG-CB 4.49Å; T401-P404 HydrophobicContact CG2-CB 4.25Å; T401-P404 WeakPolarHBondContact O-CD 3.26Å; P404-E406 PolarHBondContact O-N 2.86Å; P404-S407 PolarHBondContact O-N 2.88Å; P404-F408 VanDerWaalsContact O-CB 3.25Å; P404-F408 WeakPolarHBondContact O-CB 3.25Å; P404-F408 PolarHBondContact O-N 2.79Å
405	A	98.4	Very high	98.6	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.017	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-67.5	-18.4	177.7	0	0	0	0	0	113.5	L274 Y278 D371 L403 S407	L274-A405 HydrophobicContact CD2-CB 4.19Å; L274-A405 HydrophobicContact CG-CB 4.36Å; Y278-A405 HydrophobicContact CD2-CB 4.08Å; Y278-A405 HydrophobicContact CE2-CB 3.9Å; D371-A405 HydrophobicContact CB-CB 4.02Å; L403-A405 VanDerWaalsContact C-N 3.27Å; L403-A405 PolarHBondContact O-N 3.04Å; L403-A405 VanDerWaalsContact O-N 3.16Å; A405-S407 VanDerWaalsContact C-N 3.27Å; A405-S407 PolarHBondContact O-N 2.76Å
406	E	98.7	Very high	98.6	Very high	27 Å²	27	12.1 Å²	12.1	13%	0.126	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-78.1	-4.5	174.9	-68.1	-170.7	160.4	0	0	113.1	Q339 G368 G369 D371 L403 P404 H410	Q339-E406 PolarHBondContact NE2-OE2 3.37Å; G368-E406 CarbonylContact C-O 3.5Å; G368-E406 WeakPolarHBondContact CA-O 3.33Å; G369-E406 PolarHBondContact N-O 2.69Å; D371-E406 HydrophobicContact CB-CG 3.76Å; L403-E406 HydrophobicContact CB-CB 4.43Å; L403-E406 HydrophobicContact CB-CG 4.33Å; L403-E406 WeakPolarHBondContact O-CB 3.36Å; L403-E406 PolarHBondContact O-N 2.79Å; P404-E406 PolarHBondContact O-N 2.86Å; E406-H410 PolarHBondContact O-CE1 2.67Å
407	S	98.7	Very high	98.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.7	-21.3	-177.5	39.7	0	0	0	0	116.7	D367 Y398 P404 A405 F409 H410 T411	D367-S407 WeakPolarHBondContact O-CA 3.34Å; D367-S407 WeakPolarHBondContact O-CB 3.34Å; Y398-S407 WeakPolarHBondContact CE1-OG 3.47Å; Y398-S407 WeakPolarHBondContact OH-CB 3.41Å; Y398-S407 PolarHBondContact OH-O 3.34Å; P404-S407 PolarHBondContact O-N 2.88Å; A405-S407 VanDerWaalsContact C-N 3.27Å; A405-S407 PolarHBondContact O-N 2.76Å; S407-F409 PolarHBondContact O-N 2.88Å; S407-H410 PolarHBondContact O-N 3.41Å; S407-T411 VanDerWaalsContact O-CB 3.31Å; S407-T411 WeakPolarHBondContact O-CB 3.23Å; S407-T411 PolarHBondContact O-N 2.81Å; S407-T411 PolarHBondContact O-OG1 2.95Å
408	F	98.9	Very high	98.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.5	-52.1	177.4	170.7	-92.2	0	0	0	112.4	L275 L279 V383 M394 K395 Y398 P404 H410 T411 V412	L275-F408 HydrophobicContact CD1-CB 4.2Å; L275-F408 HydrophobicContact CD1-CD1 3.55Å; L275-F408 HydrophobicContact CD1-CE1 4.05Å; L275-F408 HydrophobicContact CD1-CG 3.85Å; L275-F408 HydrophobicContact CD2-CB 3.82Å; L275-F408 HydrophobicContact CD2-CD1 4.14Å; L275-F408 HydrophobicContact CD2-CD2 3.67Å; L275-F408 HydrophobicContact CD2-CE2 4.26Å; L275-F408 HydrophobicContact CD2-CG 3.6Å; L275-F408 HydrophobicContact CG-CG 4.4Å; L279-F408 HydrophobicContact CD1-CZ 4.42Å; L279-F408 HydrophobicContact CD2-CE1 3.91Å; L279-F408 HydrophobicContact CD2-CZ 4.11Å; V383-F408 HydrophobicContact CG1-CE1 3.88Å; V383-F408 HydrophobicContact CG1-CZ 4.14Å; M394-F408 HydrophobicContact CB-CD2 4.27Å; M394-F408 HydrophobicContact CB-CE2 3.97Å; K395-F408 HydrophobicContact CG-CE2 4.27Å; K395-F408 HydrophobicContact CG-CZ 4.34Å; Y398-F408 HydrophobicContact CD1-CB 3.98Å; Y398-F408 HydrophobicContact CD2-CB 4.04Å; Y398-F408 AromaticContact CD2-CD2 3.6Å; Y398-F408 HydrophobicContact CD2-CD2 3.6Å; Y398-F408 HydrophobicContact CD2-CG 4.3Å; Y398-F408 HydrophobicContact CE1-CB 4.22Å; Y398-F408 HydrophobicContact CE2-CB 4.25Å; Y398-F408 HydrophobicContact CE2-CD2 4.33Å; Y398-F408 HydrophobicContact CG-CB 3.87Å; Y398-F408 AromaticContact CG-CD2 3.83Å; Y398-F408 HydrophobicContact CG-CD2 3.83Å; Y398-F408 HydrophobicContact CG-CG 4.34Å; P404-F408 VanDerWaalsContact O-CB 3.25Å; P404-F408 WeakPolarHBondContact O-CB 3.25Å; P404-F408 PolarHBondContact O-N 2.79Å; F408-H410 PolarHBondContact O-N 2.81Å; F408-T411 PolarHBondContact O-N 3.33Å; F408-V412 HydrophobicContact CD2-CG2 4.22Å; F408-V412 HydrophobicContact CE1-CG2 4.3Å; F408-V412 HydrophobicContact CE2-CG2 3.91Å; F408-V412 HydrophobicContact CZ-CG2 3.94Å; F408-V412 WeakPolarHBondContact O-CB 3.31Å; F408-V412 WeakPolarHBondContact O-CG2 3.26Å; F408-V412 PolarHBondContact O-N 3.26Å
409	F	98.8	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.8	-36.6	-174.7	-66.2	-75.9	0	0	0	112	L275 Y278 M282 I325 F373 L375 F379 V383 S407 L413	L275-F409 HydrophobicContact CD1-CE2 3.61Å; L275-F409 HydrophobicContact CD1-CZ 3.7Å; Y278-F409 HydrophobicContact CD2-CE2 4.47Å; M282-F409 HydrophobicContact CE-CE1 3.69Å; M282-F409 HydrophobicContact CE-CZ 3.78Å; M282-F409 HydrophobicContact SD-CE1 3.95Å; M282-F409 HydrophobicContact SD-CZ 4.19Å; I325-F409 HydrophobicContact CD1-CB 3.61Å; F373-F409 HydrophobicContact CD1-CD2 4.37Å; F373-F409 AromaticContact CE1-CD2 3.48Å; F373-F409 HydrophobicContact CE1-CD2 3.48Å; F373-F409 VanDerWaalsContact CE1-CD2 3.48Å; F373-F409 AromaticContact CE1-CE2 3.79Å; F373-F409 HydrophobicContact CE1-CE2 3.79Å; F373-F409 HydrophobicContact CE1-CG 4.2Å; F373-F409 AromaticContact CZ-CD2 3.59Å; F373-F409 HydrophobicContact CZ-CD2 3.59Å; F373-F409 AromaticContact CZ-CE2 3.49Å; F373-F409 HydrophobicContact CZ-CE2 3.49Å; F373-F409 VanDerWaalsContact CZ-CE2 3.49Å; F373-F409 HydrophobicContact CZ-CG 4.23Å; F373-F409 HydrophobicContact CZ-CZ 4.05Å; L375-F409 HydrophobicContact CD1-CD1 3.71Å; L375-F409 HydrophobicContact CD1-CE1 4.11Å; L375-F409 HydrophobicContact CD1-CG 4.25Å; F379-F409 HydrophobicContact CE1-CD1 4.5Å; V383-F409 HydrophobicContact CG1-CE1 4.31Å; S407-F409 PolarHBondContact O-N 2.88Å; F409-L413 WeakPolarHBondContact O-CB 3.31Å; F409-L413 PolarHBondContact O-N 3.31Å
410	H	98.6	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.2	-52.5	172.4	-47.6	67.3	0	0	0	111.1	I325 K326 D367 G369 S370 E406 S407 F408 V412 L413 E414	I325-H410 HydrophobicContact CD1-CB 4.47Å; I325-H410 WeakPolarHBondContact CD1-ND1 3.24Å; K326-H410 PolarHBondContact O-NE2 2.79Å; D367-H410 HydrophobicContact CB-CB 4.05Å; D367-H410 IonicContact OD2-CD2 3.36Å; D367-H410 PolarHBondContact OD2-CD2 3.37Å; D367-H410 VanDerWaalsContact OD2-CD2 3.29Å; D367-H410 IonicContact OD2-CG 2.9Å; G369-H410 PolarHBondContact N-NE2 2.83Å; S370-H410 PolarHBondContact O-CE1 3.18Å; E406-H410 PolarHBondContact O-CE1 2.67Å; S407-H410 PolarHBondContact O-N 3.41Å; F408-H410 PolarHBondContact O-N 2.81Å; H410-V412 PolarHBondContact O-N 2.93Å; H410-L413 PolarHBondContact O-N 3.22Å; H410-E414 WeakPolarHBondContact O-CB 3.3Å; H410-E414 WeakPolarHBondContact O-CG 3.45Å; H410-E414 PolarHBondContact O-N 2.75Å
411	T	98.5	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.8	-40.1	-177.5	-57.6	0	0	0	0	111.7	I364 V366 D367 M394 Y398 S407 F408 N415	I364-T411 HydrophobicContact CD1-CG2 4.14Å; V366-T411 HydrophobicContact CG2-CG2 4.18Å; D367-T411 PolarHBondContact N-OG1 2.78Å; D367-T411 PolarHBondContact O-OG1 2.99Å; M394-T411 HydrophobicContact SD-CG2 3.62Å; Y398-T411 PolarHBondContact OH-OG1 3.4Å; Y398-T411 VanDerWaalsContact OH-OG1 3.1Å; S407-T411 VanDerWaalsContact O-CB 3.31Å; S407-T411 WeakPolarHBondContact O-CB 3.23Å; S407-T411 PolarHBondContact O-N 2.81Å; S407-T411 PolarHBondContact O-OG1 2.95Å; F408-T411 PolarHBondContact O-N 3.33Å; T411-N415 PolarHBondContact O-ND2 3.2Å
412	V	98.8	Very high	98.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.7	-44.8	174.9	175.1	0	0	0	0	110.9	F379 Y382 V383 V391 M394 F408 H410 N415 S416	F379-V412 HydrophobicContact CE2-CG1 4.15Å; F379-V412 HydrophobicContact CZ-CB 4.44Å; F379-V412 HydrophobicContact CZ-CG1 4.11Å; Y382-V412 HydrophobicContact CE1-CG1 3.92Å; V383-V412 HydrophobicContact CG2-CG1 4.06Å; V391-V412 HydrophobicContact CG2-CG1 4.08Å; M394-V412 HydrophobicContact CB-CG2 3.69Å; M394-V412 HydrophobicContact CG-CG2 3.87Å; F408-V412 HydrophobicContact CD2-CG2 4.22Å; F408-V412 HydrophobicContact CE1-CG2 4.3Å; F408-V412 HydrophobicContact CE2-CG2 3.91Å; F408-V412 HydrophobicContact CZ-CG2 3.94Å; F408-V412 WeakPolarHBondContact O-CB 3.31Å; F408-V412 WeakPolarHBondContact O-CG2 3.26Å; F408-V412 PolarHBondContact O-N 3.26Å; H410-V412 PolarHBondContact O-N 2.93Å; V412-N415 PolarHBondContact O-N 3.37Å; V412-S416 WeakPolarHBondContact O-CB 3.28Å; V412-S416 PolarHBondContact O-N 3.18Å; V412-S416 PolarHBondContact O-OG 3.1Å
413	L	98.4	Very high	98.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.4	-53.3	-179.2	-176.4	58.5	0	0	0	111.6	N323 I325 F379 F409 H410 N415 S416 H418 C419 M422	N323-L413 HydrophobicContact CB-CD1 4.49Å; N323-L413 HydrophobicContact CB-CD2 3.78Å; I325-L413 HydrophobicContact CG2-CD2 4.14Å; F379-L413 HydrophobicContact CD1-CD1 4.42Å; F379-L413 HydrophobicContact CD2-CD1 3.77Å; F379-L413 HydrophobicContact CE1-CB 4.22Å; F379-L413 HydrophobicContact CE1-CD1 4.32Å; F379-L413 HydrophobicContact CE2-CB 3.99Å; F379-L413 HydrophobicContact CE2-CD1 3.66Å; F379-L413 HydrophobicContact CE2-CG 4.43Å; F379-L413 HydrophobicContact CG-CD1 4.17Å; F379-L413 HydrophobicContact CZ-CB 3.61Å; F379-L413 HydrophobicContact CZ-CD1 3.96Å; F379-L413 HydrophobicContact CZ-CG 4.32Å; F409-L413 WeakPolarHBondContact O-CB 3.31Å; F409-L413 PolarHBondContact O-N 3.31Å; H410-L413 PolarHBondContact O-N 3.22Å; L413-N415 PolarHBondContact O-N 3.29Å; L413-N415 VanDerWaalsContact O-N 3.16Å; L413-S416 PolarHBondContact O-N 2.77Å; L413-S416 PolarHBondContact O-OG 3.29Å; L413-H418 HydrophobicContact CD1-CB 4.01Å; L413-H418 WeakPolarHBondContact CD1-O 3.32Å; L413-C419 VanDerWaalsContact O-CA 3.26Å; L413-C419 WeakPolarHBondContact O-CA 3.46Å; L413-C419 VanDerWaalsContact O-CB 3.31Å; L413-C419 WeakPolarHBondContact O-CB 3.46Å; L413-C419 PolarHBondContact O-N 2.98Å; L413-M422 HydrophobicContact CD2-CB 3.7Å; L413-M422 HydrophobicContact CD2-CG 3.83Å; L413-M422 HydrophobicContact CD2-SD 3.99Å; L413-M422 HydrophobicContact CG-CB 4.14Å; L413-M422 HydrophobicContact CG-SD 4.38Å
414	E	97.6	Very high	98.1	Very high	6 Å²	6	18 Å²	18	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-20	-176	-73.2	-173.4	-158.5	0	0	114.6	R176 C178 K183 D367 H410 M422	R176-E414 PolarHBondContact NH1-O 3.24Å; C178-E414 WeakPolarHBondContact CB-O 3.32Å; C178-E414 PolarHBondContact SG-O 2.58Å; K183-E414 WeakPolarHBondContact CD-OE2 3.36Å; K183-E414 VanDerWaalsContact CE-OE1 3.28Å; K183-E414 WeakPolarHBondContact CE-OE1 3.38Å; K183-E414 WeakPolarHBondContact CE-OE2 3.42Å; K183-E414 IonicContact NZ-OE1 2.63Å; K183-E414 PolarHBondContact NZ-OE1 3.34Å; K183-E414 IonicContact NZ-OE2 3.22Å; K183-E414 PolarHBondContact NZ-OE2 3.4Å; D367-E414 WeakPolarHBondContact CB-OE1 3.35Å; H410-E414 WeakPolarHBondContact O-CB 3.3Å; H410-E414 WeakPolarHBondContact O-CG 3.45Å; H410-E414 PolarHBondContact O-N 2.75Å; E414-M422 HydrophobicContact CG-CE 4.26Å; E414-M422 HydrophobicContact CG-SD 3.48Å; E414-M422 WeakPolarHBondContact CG-SD 3.3Å; E414-M422 VanDerWaalsContact OE1-CE 3.26Å; E414-M422 WeakPolarHBondContact OE1-CE 3.2Å
415	N	98.4	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-109.2	-7.7	178.2	-61.6	-78.5	0	0	0	113.6	R176 Y177 C178 I364 S365 L390 T411 V412 L413	R176-N415 HydrophobicContact CB-CB 4.45Å; R176-N415 HydrophobicContact CG-CB 4.17Å; R176-N415 PolarHBondContact NH1-OD1 2.61Å; Y177-N415 CarbonylContact C-O 3.58Å; Y177-N415 WeakPolarHBondContact CA-O 3.49Å; Y177-N415 PolarHBondContact N-O 2.71Å; C178-N415 PolarHBondContact N-O 2.88Å; I364-N415 HydrophobicContact CG2-CB 4.2Å; S365-N415 PolarHBondContact N-OD1 2.98Å; S365-N415 PolarHBondContact O-ND2 3.33Å; L390-N415 HydrophobicContact CD1-CB 3.89Å; L390-N415 VanDerWaalsContact CD2-C 3.42Å; L390-N415 HydrophobicContact CD2-CB 3.71Å; L390-N415 HydrophobicContact CG-CB 4.48Å; T411-N415 PolarHBondContact O-ND2 3.2Å; V412-N415 PolarHBondContact O-N 3.37Å; L413-N415 PolarHBondContact O-N 3.29Å; L413-N415 VanDerWaalsContact O-N 3.16Å
416	S	98.3	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-80.2	167.9	175.9	70.3	0	0	0	0	112.7	C178 Y382 V412 L413 H418 C419	C178-S416 VanDerWaalsContact CA-O 3.31Å; C178-S416 WeakPolarHBondContact CA-O 3.26Å; C178-S416 VanDerWaalsContact CB-O 3.31Å; C178-S416 WeakPolarHBondContact CB-O 3.4Å; Y382-S416 VanDerWaalsContact CE1-CB 3.41Å; V412-S416 WeakPolarHBondContact O-CB 3.28Å; V412-S416 PolarHBondContact O-N 3.18Å; V412-S416 PolarHBondContact O-OG 3.1Å; L413-S416 PolarHBondContact O-N 2.77Å; L413-S416 PolarHBondContact O-OG 3.29Å; S416-H418 PolarHBondContact O-N 2.87Å; S416-H418 VanDerWaalsContact O-N 3.08Å; S416-H418 WeakPolarHBondContact OG-CB 3.3Å; S416-H418 PolarHBondContact OG-N 3.26Å; S416-H418 VanDerWaalsContact OG-N 3.09Å; S416-C419 WeakPolarHBondContact O-CB 3.44Å; S416-C419 PolarHBondContact O-N 2.77Å; S416-C419 PolarHBondContact O-SG 2.93Å
417	A	97.4	Very high	97.9	Very high	68 Å²	68	17.7 Å²	17.7	56%	0.562	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.9	166.9	0	0	0	0	0	114
418	H	97.6	Very high	97.9	Very high	52 Å²	52	17.9 Å²	17.9	24%	0.241	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4.6	177.3	-57.7	-74.5	0	0	0	113.7	F379 Y382 L413 S416 E420 S421	F379-H418 HydrophobicContact CD2-CB 4.02Å; Y382-H418 WeakPolarHBondContact CB-NE2 3.28Å; Y382-H418 AromaticContact CD1-CD2 3.71Å; Y382-H418 AromaticContact CD2-CD2 3.99Å; Y382-H418 AromaticContact CD2-NE2 3.73Å; Y382-H418 AromaticContact CG-CD2 3.55Å; Y382-H418 AromaticContact CG-NE2 3.51Å; L413-H418 HydrophobicContact CD1-CB 4.01Å; L413-H418 WeakPolarHBondContact CD1-O 3.32Å; S416-H418 PolarHBondContact O-N 2.87Å; S416-H418 VanDerWaalsContact O-N 3.08Å; S416-H418 WeakPolarHBondContact OG-CB 3.3Å; S416-H418 PolarHBondContact OG-N 3.26Å; S416-H418 VanDerWaalsContact OG-N 3.09Å; H418-E420 PolarHBondContact O-N 3.03Å; H418-E420 VanDerWaalsContact O-N 3.12Å; H418-S421 WeakPolarHBondContact O-CB 3.39Å; H418-S421 PolarHBondContact O-N 3.12Å; H418-S421 PolarHBondContact O-OG 2.99Å
419	C	97.4	Very high	97.9	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.02	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-56.4	-31.5	-172.5	61.2	0	0	0	0	114.5	C178 A184 L413 S416 S421 M422	C178-C419 VanDerWaalsContact CA-SG 3.57Å; C178-C419 HydrophobicContact CB-CB 3.69Å; C178-C419 WeakPolarHBondContact CB-SG 3.37Å; C178-C419 WeakPolarHBondContact SG-CB 3.45Å; C178-C419 CovalentContact SG-SG 2.03Å; C178-C419 PolarHBondContact SG-SG 3.29Å; A184-C419 VanDerWaalsContact CB-O 3.26Å; A184-C419 WeakPolarHBondContact CB-O 3.38Å; L413-C419 VanDerWaalsContact O-CA 3.26Å; L413-C419 WeakPolarHBondContact O-CA 3.46Å; L413-C419 VanDerWaalsContact O-CB 3.31Å; L413-C419 WeakPolarHBondContact O-CB 3.46Å; L413-C419 PolarHBondContact O-N 2.98Å; S416-C419 WeakPolarHBondContact O-CB 3.44Å; S416-C419 PolarHBondContact O-N 2.77Å; S416-C419 PolarHBondContact O-SG 2.93Å; C419-S421 PolarHBondContact O-N 3.44Å; C419-M422 WeakPolarHBondContact O-CB 3.48Å; C419-M422 PolarHBondContact O-N 2.95Å
420	E	96.9	Very high	97.9	Very high	118 Å²	118	19.8 Å²	19.8	55%	0.551	11%	0.112	S	C	*	.	G	3₁₀ helix	trans	-67.7	-13.1	176.4	-61.5	-170.2	141.6	0	0	114.1	I180 V186 H418 M422	I180-E420 HydrophobicContact CD1-CG 4.36Å; I180-E420 HydrophobicContact CG2-CG 4.47Å; I180-E420 WeakPolarHBondContact CG2-OE1 3.41Å; V186-E420 WeakPolarHBondContact CG2-O 3.36Å; H418-E420 PolarHBondContact O-N 3.03Å; H418-E420 VanDerWaalsContact O-N 3.12Å; E420-M422 VanDerWaalsContact C-N 3.31Å
421	S	97.5	Very high	97.9	Very high	15 Å²	15	20.4 Å²	20.4	11%	0.105	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-82.1	-5.2	174.7	70.7	0	0	0	0	114	D321 L322 N323 H418 C419 V423	D321-S421 WeakPolarHBondContact O-CB 3.43Å; L322-S421 WeakPolarHBondContact CA-O 3.32Å; N323-S421 PolarHBondContact N-O 2.76Å; N323-S421 PolarHBondContact ND2-OG 3.13Å; H418-S421 WeakPolarHBondContact O-CB 3.39Å; H418-S421 PolarHBondContact O-N 3.12Å; H418-S421 PolarHBondContact O-OG 2.99Å; C419-S421 PolarHBondContact O-N 3.44Å; S421-V423 PolarHBondContact O-N 3.25Å
422	M	97.5	Very high	97.8	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.044	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.9	-172.4	-177.8	163.8	164.1	0	0	113.3	V186 I325 S327 L413 E414 C419 E420	V186-M422 WeakPolarHBondContact CB-O 3.35Å; V186-M422 WeakPolarHBondContact CG2-O 3.44Å; I325-M422 HydrophobicContact CG2-CE 3.81Å; I325-M422 HydrophobicContact CG2-CG 4.06Å; I325-M422 HydrophobicContact CG2-SD 4.1Å; S327-M422 WeakPolarHBondContact OG-CE 3.43Å; L413-M422 HydrophobicContact CD2-CB 3.7Å; L413-M422 HydrophobicContact CD2-CG 3.83Å; L413-M422 HydrophobicContact CD2-SD 3.99Å; L413-M422 HydrophobicContact CG-CB 4.14Å; L413-M422 HydrophobicContact CG-SD 4.38Å; E414-M422 HydrophobicContact CG-CE 4.26Å; E414-M422 HydrophobicContact CG-SD 3.48Å; E414-M422 WeakPolarHBondContact CG-SD 3.3Å; E414-M422 VanDerWaalsContact OE1-CE 3.26Å; E414-M422 WeakPolarHBondContact OE1-CE 3.2Å; C419-M422 WeakPolarHBondContact O-CB 3.48Å; C419-M422 PolarHBondContact O-N 2.95Å; E420-M422 VanDerWaalsContact C-N 3.31Å
423	V	97.6	Very high	97.6	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.042	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.9	169.7	178.4	0	0	0	0	108.5	V186 I188 L322 N323 F324 I325 S421 N425	V186-V423 HydrophobicContact CB-CG2 4.03Å; V186-V423 HydrophobicContact CG1-CG2 3.88Å; I188-V423 HydrophobicContact CD1-CG1 3.95Å; I188-V423 HydrophobicContact CD1-CG2 4.09Å; I188-V423 HydrophobicContact CG1-CG1 4.4Å; I188-V423 HydrophobicContact CG1-CG2 4.45Å; L322-V423 HydrophobicContact CB-CG2 3.97Å; L322-V423 HydrophobicContact CD1-CG2 3.66Å; L322-V423 HydrophobicContact CG-CG2 4.29Å; N323-V423 PolarHBondContact O-N 2.65Å; F324-V423 HydrophobicContact CD1-CB 4.16Å; F324-V423 HydrophobicContact CD1-CG1 4.1Å; F324-V423 HydrophobicContact CE1-CB 4.41Å; F324-V423 HydrophobicContact CE1-CG1 4.26Å; F324-V423 HydrophobicContact CE1-CG2 4.42Å; I325-V423 PolarHBondContact N-O 2.89Å; S421-V423 PolarHBondContact O-N 3.25Å; V423-N425 HydrophobicContact CG1-CB 4.2Å; V423-N425 PolarHBondContact O-N 2.89Å
424	D	96.9	Very high	97.3	Very high	72 Å²	72	34.8 Å²	34.8	39%	0.385	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	50.6	179.2	-174.9	24.3	0	0	0	113	I325 K326 S327	I325-D424 CarbonylContact O-C 3.52Å; I325-D424 WeakPolarHBondContact O-CA 3.23Å; K326-D424 VanDerWaalsContact CD-O 3.32Å; K326-D424 WeakPolarHBondContact CD-O 3.42Å; K326-D424 WeakPolarHBondContact CD-OD1 3.47Å; K326-D424 WeakPolarHBondContact CE-OD1 3.4Å; K326-D424 PolarHBondContact NZ-O 2.98Å; K326-D424 IonicContact NZ-OD1 2.73Å; K326-D424 PolarHBondContact NZ-OD1 3Å; K326-D424 IonicContact NZ-OD2 3.25Å; K326-D424 PolarHBondContact NZ-OD2 3.02Å; S327-D424 PolarHBondContact N-OD1 3.4Å
425	N	96.7	Very high	97.1	Very high	16 Å²	16	41.1 Å²	41.1	9%	0.086	20%	0.202	C	C	.	.			trans	-152.3	109	172.7	179.2	19	0	0	0	109.5	F324 I325 V423 L427 R469 P470	F324-N425 WeakPolarHBondContact CB-O 3.11Å; I325-N425 PolarHBondContact O-N 3.11Å; I325-N425 VanDerWaalsContact O-N 3.11Å; V423-N425 HydrophobicContact CG1-CB 4.2Å; V423-N425 PolarHBondContact O-N 2.89Å; N425-L427 PolarHBondContact O-N 3.35Å; N425-L427 PolarHBondContact OD1-N 2.58Å; N425-L427 VanDerWaalsContact OD1-N 3.1Å; N425-R469 PolarHBondContact OD1-NH1 3.3Å; N425-P470 PolarHBondContact ND2-O 2.88Å
426	N	98.1	Very high	96.8	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.032	21%	0.21	C	C	.	.			trans	-78	10	177	69.4	-11.3	0	0	0	115.2	K326 S370 W372 L374 R428	K326-N426 HydrophobicContact CB-CB 3.84Å; S370-N426 WeakPolarHBondContact CB-ND2 3.44Å; S370-N426 PolarHBondContact OG-ND2 2.87Å; W372-N426 WeakPolarHBondContact O-CB 3.37Å; W372-N426 PolarHBondContact O-ND2 2.84Å; L374-N426 VanDerWaalsContact CD1-O 3.23Å; L374-N426 WeakPolarHBondContact CD1-O 3.32Å; N426-R428 HydrophobicContact CB-CG 4.37Å; N426-R428 WeakPolarHBondContact ND2-CG 3.28Å; N426-R428 WeakPolarHBondContact O-CG 3.38Å; N426-R428 PolarHBondContact O-N 3.35Å; N426-R428 VanDerWaalsContact O-N 3.1Å; N426-R428 PolarHBondContact O-NE 2.9Å; N426-R428 PolarHBondContact OD1-N 3.35Å
427	L	98.1	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	60.1	16.7	-178.7	-44.7	180	0	0	0	115	F315 L316 F324 L374 N425 P470 T471 F472 F473	F315-L427 HydrophobicContact CD1-CD1 4.08Å; F315-L427 HydrophobicContact CE1-CD1 3.6Å; F315-L427 HydrophobicContact CE1-CD2 3.83Å; F315-L427 HydrophobicContact CE1-CG 4.38Å; F315-L427 HydrophobicContact CZ-CD2 4Å; L316-L427 HydrophobicContact CD2-CD1 4.46Å; F324-L427 HydrophobicContact CB-CG 4.34Å; F324-L427 HydrophobicContact CD1-CD1 3.96Å; F324-L427 HydrophobicContact CD1-CD2 3.77Å; F324-L427 HydrophobicContact CD1-CG 3.84Å; F324-L427 HydrophobicContact CE1-CD1 4.29Å; F324-L427 HydrophobicContact CE1-CD2 4.1Å; F324-L427 HydrophobicContact CE1-CG 4.46Å; F324-L427 HydrophobicContact CG-CD1 4.15Å; F324-L427 HydrophobicContact CG-CG 4.24Å; L374-L427 HydrophobicContact CD1-CB 4.04Å; L374-L427 HydrophobicContact CD1-CD1 3.86Å; L374-L427 HydrophobicContact CD1-CG 4.01Å; L374-L427 HydrophobicContact CD2-CD1 3.79Å; N425-L427 PolarHBondContact O-N 3.35Å; N425-L427 PolarHBondContact OD1-N 2.58Å; N425-L427 VanDerWaalsContact OD1-N 3.1Å; L427-P470 HydrophobicContact CD2-CB 4.14Å; L427-P470 HydrophobicContact CD2-CG 4.17Å; L427-P470 WeakPolarHBondContact CD2-O 3.37Å; L427-T471 CarbonylContact O-C 3.57Å; L427-T471 VanDerWaalsContact O-CA 3.26Å; L427-T471 WeakPolarHBondContact O-CA 3.36Å; L427-F472 HydrophobicContact CB-CD2 4.12Å; L427-F472 HydrophobicContact CD1-CD2 3.85Å; L427-F472 HydrophobicContact CD1-CE2 4.24Å; L427-F472 HydrophobicContact CG-CD2 4.39Å; L427-F472 PolarHBondContact O-N 2.88Å; L427-F473 PolarHBondContact O-N 2.91Å
428	R	98.4	Very high	96.5	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	152.1	179	-48	-55.2	173.2	105.4	4.1	113.4	N298 D303 W372 F373 N426 R469 F473	N298-R428 VanDerWaalsContact O-CZ 3.31Å; N298-R428 PolarHBondContact O-NH1 2.91Å; N298-R428 PolarHBondContact O-NH2 2.82Å; N298-R428 PolarHBondContact OD1-NH2 3.43Å; D303-R428 IonicContact OD1-NH1 3.59Å; D303-R428 PolarHBondContact OD1-NH1 2.84Å; W372-R428 HydrophobicContact CB-CG 3.92Å; F373-R428 PolarHBondContact O-NH2 3.19Å; N426-R428 HydrophobicContact CB-CG 4.37Å; N426-R428 WeakPolarHBondContact ND2-CG 3.28Å; N426-R428 WeakPolarHBondContact O-CG 3.38Å; N426-R428 PolarHBondContact O-N 3.35Å; N426-R428 VanDerWaalsContact O-N 3.1Å; N426-R428 PolarHBondContact O-NE 2.9Å; N426-R428 PolarHBondContact OD1-N 3.35Å; R428-R469 PolarHBondContact O-NH1 2.59Å; R428-R469 PolarHBondContact O-NH2 2.04Å; R428-F473 CarbonylContact C-O 3.58Å; R428-F473 VanDerWaalsContact CA-O 3.28Å; R428-F473 WeakPolarHBondContact CA-O 3.47Å
429	I	98.6	Very high	96.3	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109.4	157.5	-51.9	-176.6	0	0	0	108.9	I306 F456 R463 F464 Q466 T471 F473 A474 R475	I306-I429 HydrophobicContact CD1-CD1 3.49Å; I306-I429 VanDerWaalsContact CD1-CD1 3.49Å; I306-I429 HydrophobicContact CD1-CG1 3.85Å; I429-F456 HydrophobicContact CG2-CZ 4.1Å; I429-R463 VanDerWaalsContact CD1-O 3.25Å; I429-R463 WeakPolarHBondContact CD1-O 3.38Å; I429-F464 HydrophobicContact CD1-CD1 4.48Å; I429-Q466 HydrophobicContact CD1-CG 4.3Å; I429-Q466 VanDerWaalsContact CD1-NE2 3.3Å; I429-T471 HydrophobicContact CG1-CG2 3.98Å; I429-F473 PolarHBondContact N-O 2.83Å; I429-A474 HydrophobicContact CB-CB 3.98Å; I429-A474 CarbonylContact O-C 3.5Å; I429-A474 WeakPolarHBondContact O-CA 3.31Å; I429-R475 PolarHBondContact O-N 2.9Å
430	T	98.4	Very high	96.1	Very high	30 Å²	30	45.2 Å²	45.2	18%	0.184	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122	179.8	-51.6	0	0	0	0	110.4	W432 P453 R475	T430-W432 VanDerWaalsContact C-N 3.33Å; T430-W432 HydrophobicContact CG2-CD2 4.48Å; T430-W432 HydrophobicContact CG2-CG 4.38Å; T430-W432 PolarHBondContact O-N 2.78Å; T430-P453 HydrophobicContact CG2-CB 3.88Å; T430-P453 HydrophobicContact CG2-CG 3.39Å; T430-R475 WeakPolarHBondContact CA-O 3.34Å; T430-R475 HydrophobicContact CG2-CG 4.16Å
431	N	98.1	Very high	95.8	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.07	20%	0.202	C	C	.	.			trans	-79.5	69.9	-171.1	-161.9	18.7	0	0	0	113.8	N433 P453 N454 D455 F456 R463 R475	N431-N433 PolarHBondContact O-N 3.11Å; N431-P453 WeakPolarHBondContact O-CA 3.26Å; N431-N454 WeakPolarHBondContact CB-O 3.08Å; N431-N454 PolarHBondContact O-N 3.25Å; N431-D455 PolarHBondContact ND2-O 3.42Å; N431-F456 HydrophobicContact CB-CD1 4.05Å; N431-F456 HydrophobicContact CB-CE1 3.64Å; N431-F456 HydrophobicContact CB-CE2 4.15Å; N431-F456 HydrophobicContact CB-CG 4.49Å; N431-F456 HydrophobicContact CB-CZ 3.7Å; N431-F456 WeakPolarHBondContact ND2-CD1 3.29Å; N431-R463 PolarHBondContact OD1-NH1 3.49Å; N431-R463 PolarHBondContact OD1-NH2 2.83Å; N431-R475 PolarHBondContact N-O 2.85Å
432	W	96.4	Very high	95.6	Very high	90 Å²	90	43.9 Å²	43.9	34%	0.341	21%	0.206	S	C	.	.			trans	-80.7	99.4	-179.8	-74.3	115.9	0	0	0	113.3	T430 C451 P453	T430-W432 VanDerWaalsContact C-N 3.33Å; T430-W432 HydrophobicContact CG2-CD2 4.48Å; T430-W432 HydrophobicContact CG2-CG 4.38Å; T430-W432 PolarHBondContact O-N 2.78Å; W432-C451 HydrophobicContact CH2-CB 4.37Å; W432-C451 HydrophobicContact CZ3-CB 3.73Å; W432-P453 HydrophobicContact CD2-CG 4.24Å; W432-P453 HydrophobicContact CE3-CG 4.28Å; W432-P453 HydrophobicContact CH2-CG 4.11Å; W432-P453 HydrophobicContact CZ2-CG 4.05Å; W432-P453 HydrophobicContact CZ3-CG 4.22Å
433	N	95.8	Very high	95.4	Very high	64 Å²	64	50.7 Å²	50.7	34%	0.342	24%	0.235	S	C	.	.			trans	-106.1	96.8	161.6	179.2	-13.2	0	0	0	110	N431 K435 L436 G437 N454	N431-N433 PolarHBondContact O-N 3.11Å; N433-K435 PolarHBondContact O-N 3.16Å; N433-K435 WeakPolarHBondContact OD1-CB 3.35Å; N433-K435 PolarHBondContact OD1-N 3.13Å; N433-K435 VanDerWaalsContact OD1-N 3.12Å; N433-L436 PolarHBondContact O-N 3.43Å; N433-L436 VanDerWaalsContact O-N 3.09Å; N433-G437 PolarHBondContact O-N 3.35Å; N433-N454 PolarHBondContact O-OD1 3.01Å
434	R	91.9	Very high	95.1	Very high	148 Å²	148	57 Å²	57	56%	0.558	26%	0.264	S	S	*	.	H	α-helix	trans	-64.3	-23.2	-175.2	-66.9	-173.6	179.9	-87.9	-0.5	113.9	L436 C438	R434-L436 PolarHBondContact O-N 2.73Å; R434-C438 WeakPolarHBondContact O-CB 3.49Å
435	K	92.4	Very high	95.1	Very high	139 Å²	139	55.3 Å²	55.3	60%	0.604	26%	0.255	S	S	*	.	H	α-helix	trans	-68.8	-21.1	176.7	-63.1	-173.4	177	-174	0	112.3	E37 N433 K439	E37-K435 WeakPolarHBondContact OE1-CE 3.4Å; E37-K435 IonicContact OE1-NZ 2.79Å; E37-K435 PolarHBondContact OE1-NZ 3.41Å; N433-K435 PolarHBondContact O-N 3.16Å; N433-K435 WeakPolarHBondContact OD1-CB 3.35Å; N433-K435 PolarHBondContact OD1-N 3.13Å; N433-K435 VanDerWaalsContact OD1-N 3.12Å; K435-K439 WeakPolarHBondContact O-CE 3.46Å; K435-K439 PolarHBondContact O-NZ 3.16Å
436	L	92.4	Very high	95.1	Very high	32 Å²	32	54.5 Å²	54.5	17%	0.168	25%	0.25	C	S	.	.	H	α-helix	trans	-110.5	-48.8	177.1	-61.5	-178.5	0	0	0	112.5	N433 R434 C438 K439	N433-L436 PolarHBondContact O-N 3.43Å; N433-L436 VanDerWaalsContact O-N 3.09Å; R434-L436 PolarHBondContact O-N 2.73Å; L436-C438 PolarHBondContact O-N 3.36Å; L436-K439 WeakPolarHBondContact O-CE 3.06Å; L436-K439 VanDerWaalsContact O-CG 3.31Å; L436-K439 WeakPolarHBondContact O-CG 3.21Å
437	G	93.6	Very high	95.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-74.9	-14	-172.7	0	0	0	0	0	117.3	N433 Q441 C451 S452	N433-G437 PolarHBondContact O-N 3.35Å; G437-Q441 PolarHBondContact O-NE2 3.01Å; G437-C451 CarbonylContact O-C 3.59Å; G437-C451 VanDerWaalsContact O-CA 3.27Å; G437-C451 WeakPolarHBondContact O-CA 3.22Å; G437-S452 VanDerWaalsContact CA-O 3.31Å; G437-S452 WeakPolarHBondContact CA-O 3.34Å; G437-S452 PolarHBondContact O-N 3.06Å
438	C	95.9	Very high	95.1	Very high	40 Å²	40	58.1 Å²	58.1	27%	0.27	27%	0.266	S	S	.	.			trans	-103.8	90.1	178.1	-63.5	0	0	0	0	111	R434 L436 C451	R434-C438 WeakPolarHBondContact O-CB 3.49Å; L436-C438 PolarHBondContact O-N 3.36Å; C438-C451 HydrophobicContact CB-CB 4.03Å; C438-C451 WeakPolarHBondContact CB-SG 3.42Å; C438-C451 WeakPolarHBondContact SG-CB 3.43Å; C438-C451 CovalentContact SG-SG 2.04Å; C438-C451 PolarHBondContact SG-SG 3.25Å
439	K	93.2	Very high	95	Very high	104 Å²	104	61 Å²	61	45%	0.452	29%	0.286	S	S	.	.	S	Bend	trans	-125.3	7.1	179.8	-57	-64.9	172.5	-165.3	0	114.1	K435 L436 Q441 A627	K435-K439 WeakPolarHBondContact O-CE 3.46Å; K435-K439 PolarHBondContact O-NZ 3.16Å; L436-K439 WeakPolarHBondContact O-CE 3.06Å; L436-K439 VanDerWaalsContact O-CG 3.31Å; L436-K439 WeakPolarHBondContact O-CG 3.21Å; K439-Q441 PolarHBondContact O-N 3.21Å; K439-A627 HydrophobicContact CG-CB 4.18Å
440	C	93.9	Very high	94.8	Very high	32 Å²	32	60.7 Å²	60.7	22%	0.216	29%	0.286	C	S	.	.			trans	57.5	27.6	-171.4	-161.2	0	0	0	0	113	Y442 K443 C449	C440-Y442 PolarHBondContact O-N 2.84Å; C440-K443 WeakPolarHBondContact O-CB 3.06Å; C440-K443 PolarHBondContact O-N 3.38Å; C440-K443 VanDerWaalsContact O-N 3.14Å; C440-C449 HydrophobicContact CB-CB 3.68Å; C440-C449 WeakPolarHBondContact CB-SG 3.37Å; C440-C449 WeakPolarHBondContact SG-CA 3.47Å; C440-C449 WeakPolarHBondContact SG-CB 3.41Å; C440-C449 CovalentContact SG-SG 2.04Å; C440-C449 PolarHBondContact SG-SG 3.07Å
441	Q	89.6	Confident	94.6	Very high	57 Å²	57	60.8 Å²	60.8	27%	0.266	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.7	-174.5	59.3	-86.1	25.4	0	0	114.1	G437 K439 H444 S452	G437-Q441 PolarHBondContact O-NE2 3.01Å; K439-Q441 PolarHBondContact O-N 3.21Å; Q441-H444 PolarHBondContact O-CE1 2.9Å; Q441-H444 PolarHBondContact O-ND1 3.13Å; Q441-H444 VanDerWaalsContact O-ND1 3.15Å; Q441-S452 PolarHBondContact NE2-OG 2.94Å; Q441-S452 VanDerWaalsContact NE2-OG 3.15Å
442	Y	93.4	Very high	94.5	Very high	48 Å²	48	60.7 Å²	60.7	19%	0.188	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	5.3	-178.3	-53.6	-62.4	0	0	0	114.8	W269 C440 H444 I445 V446 S452	W269-Y442 HydrophobicContact CB-CD1 3.99Å; W269-Y442 HydrophobicContact CB-CE1 4.3Å; W269-Y442 HydrophobicContact CB-CG 4.24Å; W269-Y442 AromaticContact CD1-CE1 3.94Å; W269-Y442 AromaticContact CD1-CE2 3.72Å; W269-Y442 AromaticContact CD1-CZ 3.67Å; W269-Y442 HydrophobicContact CD2-CD1 4.22Å; W269-Y442 AromaticContact CD2-CD2 3.45Å; W269-Y442 HydrophobicContact CD2-CD2 3.45Å; W269-Y442 VanDerWaalsContact CD2-CD2 3.45Å; W269-Y442 AromaticContact CD2-CE2 3.91Å; W269-Y442 HydrophobicContact CD2-CE2 3.91Å; W269-Y442 AromaticContact CD2-CG 3.64Å; W269-Y442 HydrophobicContact CD2-CG 3.64Å; W269-Y442 AromaticContact CE2-CD2 3.48Å; W269-Y442 VanDerWaalsContact CE2-CD2 3.48Å; W269-Y442 AromaticContact CE2-CE2 3.6Å; W269-Y442 AromaticContact CE3-CD2 3.87Å; W269-Y442 HydrophobicContact CE3-CD2 3.87Å; W269-Y442 AromaticContact CE3-CG 3.89Å; W269-Y442 HydrophobicContact CE3-CG 3.89Å; W269-Y442 AromaticContact CG-CD1 3.85Å; W269-Y442 HydrophobicContact CG-CD1 3.85Å; W269-Y442 AromaticContact CG-CD2 3.85Å; W269-Y442 HydrophobicContact CG-CD2 3.85Å; W269-Y442 HydrophobicContact CG-CE1 4Å; W269-Y442 HydrophobicContact CG-CE2 4.01Å; W269-Y442 AromaticContact CG-CG 3.78Å; W269-Y442 HydrophobicContact CG-CG 3.78Å; W269-Y442 HydrophobicContact CH2-CD2 4.35Å; W269-Y442 AromaticContact CZ2-CD2 3.96Å; W269-Y442 HydrophobicContact CZ2-CD2 3.96Å; W269-Y442 HydrophobicContact CZ2-CE2 4.2Å; W269-Y442 HydrophobicContact CZ3-CD2 4.3Å; W269-Y442 AromaticContact NE1-CD2 3.81Å; W269-Y442 AromaticContact NE1-CE2 3.43Å; W269-Y442 AromaticContact NE1-CZ 3.83Å; C440-Y442 PolarHBondContact O-N 2.84Å; Y442-H444 PolarHBondContact O-N 2.66Å; Y442-I445 HydrophobicContact CD1-CD1 4.34Å; Y442-I445 WeakPolarHBondContact O-CA 3.41Å; Y442-I445 PolarHBondContact O-N 3.07Å; Y442-V446 PolarHBondContact O-N 3.02Å; Y442-S452 VanDerWaalsContact OH-CB 3.3Å; Y442-S452 WeakPolarHBondContact OH-CB 3.42Å; Y442-S452 PolarHBondContact OH-OG 2.97Å
443	K	93.4	Very high	94.6	Very high	152 Å²	152	56.8 Å²	56.8	66%	0.661	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-17	-177.1	-172.1	175.5	176.8	-174.9	0	115.3	H351 C440	H351-K443 PolarHBondContact NE2-O 3.2Å; C440-K443 WeakPolarHBondContact O-CB 3.06Å; C440-K443 PolarHBondContact O-N 3.38Å; C440-K443 VanDerWaalsContact O-N 3.14Å
444	H	92.5	Very high	94.7	Very high	138 Å²	138	54.2 Å²	54.2	64%	0.639	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-10	174.8	63.5	-84.3	0	0	0	113.6	H351 Q441 Y442	H351-H444 PolarHBondContact CE1-O 2.04Å; H351-H444 PolarHBondContact ND1-O 2.77Å; H351-H444 PolarHBondContact NE2-O 2.94Å; H351-H444 VanDerWaalsContact NE2-O 3.17Å; Q441-H444 PolarHBondContact O-CE1 2.9Å; Q441-H444 PolarHBondContact O-ND1 3.13Å; Q441-H444 VanDerWaalsContact O-ND1 3.15Å; Y442-H444 PolarHBondContact O-N 2.66Å
445	I	96.3	Very high	95	Very high	37 Å²	37	47.3 Å²	47.3	19%	0.19	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-30.1	179.9	-50.9	-176.7	0	0	0	111	I268 H351 M352 Y442	I268-I445 HydrophobicContact CB-CG2 3.78Å; I268-I445 HydrophobicContact CD1-CG2 4.23Å; I268-I445 HydrophobicContact CG1-CG2 4.36Å; I268-I445 HydrophobicContact CG2-CG2 4.33Å; H351-I445 CarbonylContact C-O 3.52Å; H351-I445 VanDerWaalsContact CA-O 3.27Å; H351-I445 WeakPolarHBondContact CA-O 3.46Å; H351-I445 WeakPolarHBondContact CE1-CA 3.13Å; H351-I445 PolarHBondContact CE1-N 2.99Å; H351-I445 PolarHBondContact CE1-O 2.71Å; H351-I445 VanDerWaalsContact CE1-O 3.27Å; H351-I445 VanDerWaalsContact CG-O 3.31Å; H351-I445 VanDerWaalsContact ND1-C 3.29Å; H351-I445 PolarHBondContact ND1-O 3.24Å; H351-I445 VanDerWaalsContact ND1-O 3.15Å; H351-I445 PolarHBondContact NE2-N 2.57Å; M352-I445 PolarHBondContact N-O 2.98Å; Y442-I445 HydrophobicContact CD1-CD1 4.34Å; Y442-I445 WeakPolarHBondContact O-CA 3.41Å; Y442-I445 PolarHBondContact O-N 3.07Å
446	V	97.6	Very high	95.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-141.2	148.6	-177.4	-51.8	0	0	0	0	111.8	W269 H351 M352 L402 Y442 W448	W269-V446 HydrophobicContact CE3-CG1 4.13Å; W269-V446 HydrophobicContact CE3-CG2 4Å; W269-V446 HydrophobicContact CZ3-CG2 3.91Å; W269-V446 WeakPolarHBondContact O-CG1 3.47Å; H351-V446 PolarHBondContact NE2-N 2.86Å; M352-V446 HydrophobicContact CB-CB 3.92Å; M352-V446 HydrophobicContact CB-CG1 3.72Å; M352-V446 HydrophobicContact CG-CG1 3.91Å; L402-V446 HydrophobicContact CD1-CB 4.23Å; L402-V446 HydrophobicContact CD1-CG1 4.19Å; Y442-V446 PolarHBondContact O-N 3.02Å; V446-W448 HydrophobicContact CG2-CB 4.17Å; V446-W448 PolarHBondContact O-N 2.75Å
447	D	98	Very high	95.6	Very high	31 Å²	31	42.2 Å²	42.2	17%	0.166	21%	0.211	C	C	.	.	S	Bend	trans	-75.5	40.5	173.1	-78	-27	0	0	0	113.5	R147 M352 W353 R354	R147-D447 IonicContact CZ-OD1 3.47Å; R147-D447 IonicContact CZ-OD2 2.66Å; R147-D447 IonicContact NH1-OD1 2.77Å; R147-D447 PolarHBondContact NH1-OD1 2.79Å; R147-D447 IonicContact NH1-OD2 3.54Å; R147-D447 VanDerWaalsContact NH2-CG 3.34Å; R147-D447 IonicContact NH2-OD1 3.32Å; R147-D447 PolarHBondContact NH2-OD1 2.94Å; R147-D447 VanDerWaalsContact NH2-OD1 3.15Å; R147-D447 IonicContact NH2-OD2 3.96Å; R147-D447 PolarHBondContact NH2-OD2 3Å; M352-D447 PolarHBondContact O-N 2.76Å; W353-D447 WeakPolarHBondContact CA-OD2 3.35Å; R354-D447 HydrophobicContact CB-CB 3.62Å; R354-D447 PolarHBondContact N-OD2 2.91Å
448	W	97.8	Very high	95.8	Very high	50 Å²	50	44.1 Å²	44.1	19%	0.189	22%	0.223	C	C	.	.	S	Bend	trans	-152.7	166.6	-176.9	-153.6	-110.1	0	0	0	112.8	K338 R343 F345 L402 V446	K338-W448 PolarHBondContact O-NE1 2.83Å; R343-W448 HydrophobicContact CG-CH2 4.4Å; R343-W448 HydrophobicContact CG-CZ3 4.32Å; F345-W448 HydrophobicContact CZ-CD2 4.33Å; F345-W448 AromaticContact CZ-CE3 3.95Å; F345-W448 HydrophobicContact CZ-CE3 3.95Å; L402-W448 HydrophobicContact CD2-CB 3.5Å; L402-W448 VanDerWaalsContact CD2-CB 3.5Å; L402-W448 VanDerWaalsContact CD2-CD1 3.47Å; L402-W448 HydrophobicContact CD2-CD2 4.16Å; L402-W448 HydrophobicContact CD2-CG 3.44Å; L402-W448 VanDerWaalsContact CD2-CG 3.44Å; V446-W448 HydrophobicContact CG2-CB 4.17Å; V446-W448 PolarHBondContact O-N 2.75Å
449	C	96.5	Very high	95.9	Very high	63 Å²	63	46.6 Å²	46.6	43%	0.426	24%	0.241	S	C	.	.			trans	-103.3	109.1	174.7	-74.2	0	0	0	0	112.3	C440	C440-C449 HydrophobicContact CB-CB 3.68Å; C440-C449 WeakPolarHBondContact CB-SG 3.37Å; C440-C449 WeakPolarHBondContact SG-CA 3.47Å; C440-C449 WeakPolarHBondContact SG-CB 3.41Å; C440-C449 CovalentContact SG-SG 2.04Å; C440-C449 PolarHBondContact SG-SG 3.07Å
450	G	93.3	Very high	96.1	Very high	6 Å²	6	42.8 Å²	42.8	6%	0.062	23%	0.225	C	C	.	.			trans	-88.2	169.7	175.7	0	0	0	0	0	115.7
451	C	95.4	Very high	96.3	Very high	32 Å²	32	43 Å²	43	22%	0.216	22%	0.223	C	C	.	.			trans	-125.1	159.3	161.9	-56	0	0	0	0	109.3	W432 G437 C438	W432-C451 HydrophobicContact CH2-CB 4.37Å; W432-C451 HydrophobicContact CZ3-CB 3.73Å; G437-C451 CarbonylContact O-C 3.59Å; G437-C451 VanDerWaalsContact O-CA 3.27Å; G437-C451 WeakPolarHBondContact O-CA 3.22Å; C438-C451 HydrophobicContact CB-CB 4.03Å; C438-C451 WeakPolarHBondContact CB-SG 3.42Å; C438-C451 WeakPolarHBondContact SG-CB 3.43Å; C438-C451 CovalentContact SG-SG 2.04Å; C438-C451 PolarHBondContact SG-SG 3.25Å
452	S	95.5	Very high	96.7	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.07	24%	0.237	C	C	.	.			trans	-138.5	155.9	166.3	50	0	0	0	0	112.7	G437 Q441 Y442	G437-S452 VanDerWaalsContact CA-O 3.31Å; G437-S452 WeakPolarHBondContact CA-O 3.34Å; G437-S452 PolarHBondContact O-N 3.06Å; Q441-S452 PolarHBondContact NE2-OG 2.94Å; Q441-S452 VanDerWaalsContact NE2-OG 3.15Å; Y442-S452 VanDerWaalsContact OH-CB 3.3Å; Y442-S452 WeakPolarHBondContact OH-CB 3.42Å; Y442-S452 PolarHBondContact OH-OG 2.97Å
453	P	97.4	Very high	96.8	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.052	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-64.6	147.9	176.6	-21.1	33.7	0	0	0	112.4	T430 N431 W432 K476 K628	T430-P453 HydrophobicContact CG2-CB 3.88Å; T430-P453 HydrophobicContact CG2-CG 3.39Å; N431-P453 WeakPolarHBondContact O-CA 3.26Å; W432-P453 HydrophobicContact CD2-CG 4.24Å; W432-P453 HydrophobicContact CE3-CG 4.28Å; W432-P453 HydrophobicContact CH2-CG 4.11Å; W432-P453 HydrophobicContact CZ2-CG 4.05Å; W432-P453 HydrophobicContact CZ3-CG 4.22Å; P453-K476 HydrophobicContact CB-CG 4.41Å; P453-K628 WeakPolarHBondContact O-CD 3.43Å; P453-K628 PolarHBondContact O-NZ 3.03Å
454	N	98.4	Very high	97	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.053	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-72.2	162.4	168.7	-85.8	91.6	0	0	0	111.2	N431 N433 K476 K628 E629	N431-N454 WeakPolarHBondContact CB-O 3.08Å; N431-N454 PolarHBondContact O-N 3.25Å; N433-N454 PolarHBondContact O-OD1 3.01Å; N454-K476 PolarHBondContact O-N 2.82Å; N454-K628 WeakPolarHBondContact ND2-CG 3.4Å; N454-K628 PolarHBondContact ND2-O 3.29Å; N454-E629 VanDerWaalsContact CA-OE1 3.27Å; N454-E629 WeakPolarHBondContact CA-OE1 3.05Å; N454-E629 PolarHBondContact ND2-OE1 3.19Å
455	D	98.6	Very high	97	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-87.3	142.3	172.7	-64	-76.2	0	0	0	109.8	N431 K476 V481 K628 E629	N431-D455 PolarHBondContact ND2-O 3.42Å; D455-K476 CarbonylContact C-O 3.54Å; D455-K476 WeakPolarHBondContact CA-O 3.37Å; D455-K476 VanDerWaalsContact CG-NZ 3.31Å; D455-K476 WeakPolarHBondContact OD1-CB 3.35Å; D455-K476 IonicContact OD1-NZ 2.7Å; D455-K476 PolarHBondContact OD1-NZ 3.31Å; D455-K476 IonicContact OD2-NZ 2.8Å; D455-K476 PolarHBondContact OD2-NZ 3.17Å; D455-K476 VanDerWaalsContact OD2-NZ 3.17Å; D455-V481 HydrophobicContact CB-CG1 4.01Å; D455-K628 IonicContact OD2-NZ 3.7Å; D455-K628 PolarHBondContact OD2-NZ 3.11Å; D455-E629 PolarHBondContact N-OE1 2.98Å
456	F	98.7	Very high	96.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-70.2	156.8	-178.6	-72.7	-71.1	0	0	0	112.5	I429 N431 D460 F464 A474 R475 K476 F477 I485	I429-F456 HydrophobicContact CG2-CZ 4.1Å; N431-F456 HydrophobicContact CB-CD1 4.05Å; N431-F456 HydrophobicContact CB-CE1 3.64Å; N431-F456 HydrophobicContact CB-CE2 4.15Å; N431-F456 HydrophobicContact CB-CG 4.49Å; N431-F456 HydrophobicContact CB-CZ 3.7Å; N431-F456 WeakPolarHBondContact ND2-CD1 3.29Å; F456-D460 HydrophobicContact CB-CB 4.45Å; F456-D460 HydrophobicContact CD1-CB 3.63Å; F456-D460 HydrophobicContact CE1-CB 4.37Å; F456-D460 HydrophobicContact CG-CB 4.48Å; F456-F464 HydrophobicContact CB-CZ 4.31Å; F456-F464 HydrophobicContact CD1-CE1 4.06Å; F456-F464 HydrophobicContact CD1-CZ 4.02Å; F456-F464 HydrophobicContact CD2-CE1 4.13Å; F456-F464 HydrophobicContact CD2-CZ 4.02Å; F456-F464 AromaticContact CE1-CE1 3.82Å; F456-F464 HydrophobicContact CE1-CE1 3.82Å; F456-F464 HydrophobicContact CE1-CZ 4.27Å; F456-F464 AromaticContact CE2-CE1 3.92Å; F456-F464 HydrophobicContact CE2-CE1 3.92Å; F456-F464 HydrophobicContact CE2-CZ 4.28Å; F456-F464 HydrophobicContact CG-CE1 4.2Å; F456-F464 AromaticContact CG-CZ 3.88Å; F456-F464 HydrophobicContact CG-CZ 3.88Å; F456-F464 AromaticContact CZ-CE1 3.75Å; F456-F464 HydrophobicContact CZ-CE1 3.75Å; F456-F464 HydrophobicContact CZ-CZ 4.4Å; F456-A474 HydrophobicContact CE2-CB 3.7Å; F456-A474 HydrophobicContact CZ-CB 4.05Å; F456-R475 VanDerWaalsContact CE2-C 3.46Å; F456-R475 WeakPolarHBondContact CE2-O 3.27Å; F456-K476 VanDerWaalsContact CD2-O 3.24Å; F456-K476 WeakPolarHBondContact CD2-O 3.37Å; F456-K476 PolarHBondContact N-O 2.63Å; F456-F477 HydrophobicContact CB-CD1 4.09Å; F456-F477 HydrophobicContact CB-CE1 3.82Å; F456-F477 HydrophobicContact CD2-CD1 4.08Å; F456-F477 HydrophobicContact CD2-CD2 4.28Å; F456-F477 AromaticContact CD2-CE1 3.6Å; F456-F477 HydrophobicContact CD2-CE1 3.6Å; F456-F477 AromaticContact CD2-CE2 3.83Å; F456-F477 HydrophobicContact CD2-CE2 3.83Å; F456-F477 HydrophobicContact CD2-CG 4.41Å; F456-F477 AromaticContact CD2-CZ 3.47Å; F456-F477 HydrophobicContact CD2-CZ 3.47Å; F456-F477 VanDerWaalsContact CD2-CZ 3.47Å; F456-F477 HydrophobicContact CE2-CE2 4.11Å; F456-F477 AromaticContact CE2-CZ 3.97Å; F456-F477 HydrophobicContact CE2-CZ 3.97Å; F456-F477 HydrophobicContact CG-CE1 4.06Å; F456-F477 HydrophobicContact CG-CZ 4.28Å; F456-I485 HydrophobicContact CB-CG1 4.24Å; F456-I485 HydrophobicContact CB-CG2 4.35Å
457	K	98.3	Very high	95.9	Very high	61 Å²	61	41.8 Å²	41.8	27%	0.265	22%	0.222	S	C	.	.			trans	-132.3	168	178.6	-57	-66.7	169.7	164.6	0	110.6	S459 D460 V481 N482 I485 E629	K457-S459 PolarHBondContact O-N 3.35Å; K457-S459 VanDerWaalsContact O-N 3.1Å; K457-D460 PolarHBondContact N-OD2 3Å; K457-D460 VanDerWaalsContact O-CB 3.31Å; K457-D460 WeakPolarHBondContact O-CB 3.44Å; K457-D460 PolarHBondContact O-N 2.87Å; K457-V481 PolarHBondContact NZ-O 3.25Å; K457-N482 HydrophobicContact CD-CB 3.89Å; K457-I485 WeakPolarHBondContact O-CD1 3.44Å; K457-E629 IonicContact NZ-OE2 3.14Å
458	P	98.4	Very high	95.4	Very high	41 Å²	41	45.5 Å²	45.5	27%	0.266	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-53.3	-35.4	-177.8	-30.3	39.7	0	0	0	114.1	D460 F461 N482 E484	P458-D460 PolarHBondContact O-N 2.87Å; P458-F461 PolarHBondContact O-N 2.89Å; P458-N482 WeakPolarHBondContact CD-OD1 3.18Å; P458-E484 HydrophobicContact CG-CB 4.14Å; P458-E484 HydrophobicContact CG-CG 4.3Å; P458-E484 VanDerWaalsContact CG-OE2 3.24Å; P458-E484 WeakPolarHBondContact CG-OE2 3.26Å
459	S	97.8	Very high	95	Very high	92 Å²	92	47 Å²	47	64%	0.643	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-60	-23.2	175.2	49.7	0	0	0	0	114.6	K457 H462	K457-S459 PolarHBondContact O-N 3.35Å; K457-S459 VanDerWaalsContact O-N 3.1Å; S459-H462 PolarHBondContact O-CE1 2.97Å; S459-H462 VanDerWaalsContact O-CE1 3.26Å; S459-H462 PolarHBondContact O-ND1 2.92Å
460	D	97.9	Very high	94.9	Very high	24 Å²	24	44.3 Å²	44.3	13%	0.128	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-82.7	-12.6	-177.6	-68.5	-56	0	0	0	114.1	F456 K457 P458 H462 R463	F456-D460 HydrophobicContact CB-CB 4.45Å; F456-D460 HydrophobicContact CD1-CB 3.63Å; F456-D460 HydrophobicContact CE1-CB 4.37Å; F456-D460 HydrophobicContact CG-CB 4.48Å; K457-D460 PolarHBondContact N-OD2 3Å; K457-D460 VanDerWaalsContact O-CB 3.31Å; K457-D460 WeakPolarHBondContact O-CB 3.44Å; K457-D460 PolarHBondContact O-N 2.87Å; P458-D460 PolarHBondContact O-N 2.87Å; D460-H462 PolarHBondContact O-N 3.28Å; D460-H462 VanDerWaalsContact O-N 3.08Å; D460-R463 WeakPolarHBondContact O-CB 3.23Å; D460-R463 VanDerWaalsContact O-CG 3.31Å; D460-R463 WeakPolarHBondContact O-CG 3.19Å; D460-R463 PolarHBondContact O-N 2.93Å; D460-R463 WeakPolarHBondContact OD1-CD 3.32Å; D460-R463 IonicContact OD1-CZ 2.76Å; D460-R463 IonicContact OD1-NE 3.8Å; D460-R463 IonicContact OD1-NH1 3.46Å; D460-R463 PolarHBondContact OD1-NH1 2.78Å
461	F	98	Very high	95.1	Very high	38 Å²	38	44 Å²	44	17%	0.167	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-50.7	-41.9	-169.7	-176.9	-89	0	0	0	113.7	P458 R463 F464 Q465 I485 Q488 Y492	P458-F461 PolarHBondContact O-N 2.89Å; F461-R463 PolarHBondContact O-N 2.94Å; F461-F464 HydrophobicContact CD2-CD2 4.22Å; F461-F464 WeakPolarHBondContact O-CB 3.15Å; F461-F464 WeakPolarHBondContact O-CD2 3.03Å; F461-F464 PolarHBondContact O-N 2.87Å; F461-Q465 HydrophobicContact CE1-CG 4.25Å; F461-I485 HydrophobicContact CB-CD1 3.81Å; F461-I485 HydrophobicContact CD2-CD1 4.03Å; F461-I485 HydrophobicContact CG-CD1 4.44Å; F461-Q488 HydrophobicContact CD2-CB 3.87Å; F461-Q488 HydrophobicContact CE2-CB 3.96Å; F461-Y492 HydrophobicContact CE2-CG 4.44Å; F461-Y492 HydrophobicContact CZ-CD1 4.13Å; F461-Y492 HydrophobicContact CZ-CD2 4.04Å; F461-Y492 AromaticContact CZ-CG 3.73Å; F461-Y492 HydrophobicContact CZ-CG 3.73Å
462	H	96.6	Very high	95.2	Very high	124 Å²	124	42.6 Å²	42.6	57%	0.574	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-55.2	-25.6	177.5	73	-85.3	0	0	0	114	S459 D460 F464 Q465	S459-H462 PolarHBondContact O-CE1 2.97Å; S459-H462 VanDerWaalsContact O-CE1 3.26Å; S459-H462 PolarHBondContact O-ND1 2.92Å; D460-H462 PolarHBondContact O-N 3.28Å; D460-H462 VanDerWaalsContact O-N 3.08Å; H462-F464 VanDerWaalsContact C-N 3.28Å; H462-F464 PolarHBondContact O-N 2.89Å; H462-Q465 PolarHBondContact O-N 2.92Å
463	R	97.1	Very high	95.4	Very high	70 Å²	70	42.3 Å²	42.3	26%	0.264	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-71.7	-22.6	-179.8	-58.2	166.2	62.4	-170.9	-2.1	112.3	I429 N431 D460 F461 Q465 Q466	I429-R463 VanDerWaalsContact CD1-O 3.25Å; I429-R463 WeakPolarHBondContact CD1-O 3.38Å; N431-R463 PolarHBondContact OD1-NH1 3.49Å; N431-R463 PolarHBondContact OD1-NH2 2.83Å; D460-R463 WeakPolarHBondContact O-CB 3.23Å; D460-R463 VanDerWaalsContact O-CG 3.31Å; D460-R463 WeakPolarHBondContact O-CG 3.19Å; D460-R463 PolarHBondContact O-N 2.93Å; D460-R463 WeakPolarHBondContact OD1-CD 3.32Å; D460-R463 IonicContact OD1-CZ 2.76Å; D460-R463 IonicContact OD1-NE 3.8Å; D460-R463 IonicContact OD1-NH1 3.46Å; D460-R463 PolarHBondContact OD1-NH1 2.78Å; F461-R463 PolarHBondContact O-N 2.94Å; R463-Q465 VanDerWaalsContact C-N 3.32Å; R463-Q466 WeakPolarHBondContact O-CG 3.25Å
464	F	96.8	Very high	95.4	Very high	4 Å²	4	42 Å²	42	2%	0.018	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-76.4	-23.7	176.3	-52.3	-35.9	0	0	0	112.2	I306 I429 F456 F461 H462 Q466 A474 F477 I485 L489	I306-F464 HydrophobicContact CB-CB 4.21Å; I306-F464 HydrophobicContact CG2-CB 4.08Å; I306-F464 HydrophobicContact CG2-CD1 3.7Å; I306-F464 HydrophobicContact CG2-CE1 4.28Å; I306-F464 HydrophobicContact CG2-CG 3.85Å; I429-F464 HydrophobicContact CD1-CD1 4.48Å; F456-F464 HydrophobicContact CB-CZ 4.31Å; F456-F464 HydrophobicContact CD1-CE1 4.06Å; F456-F464 HydrophobicContact CD1-CZ 4.02Å; F456-F464 HydrophobicContact CD2-CE1 4.13Å; F456-F464 HydrophobicContact CD2-CZ 4.02Å; F456-F464 AromaticContact CE1-CE1 3.82Å; F456-F464 HydrophobicContact CE1-CE1 3.82Å; F456-F464 HydrophobicContact CE1-CZ 4.27Å; F456-F464 AromaticContact CE2-CE1 3.92Å; F456-F464 HydrophobicContact CE2-CE1 3.92Å; F456-F464 HydrophobicContact CE2-CZ 4.28Å; F456-F464 HydrophobicContact CG-CE1 4.2Å; F456-F464 AromaticContact CG-CZ 3.88Å; F456-F464 HydrophobicContact CG-CZ 3.88Å; F456-F464 AromaticContact CZ-CE1 3.75Å; F456-F464 HydrophobicContact CZ-CE1 3.75Å; F456-F464 HydrophobicContact CZ-CZ 4.4Å; F461-F464 HydrophobicContact CD2-CD2 4.22Å; F461-F464 WeakPolarHBondContact O-CB 3.15Å; F461-F464 WeakPolarHBondContact O-CD2 3.03Å; F461-F464 PolarHBondContact O-N 2.87Å; H462-F464 VanDerWaalsContact C-N 3.28Å; H462-F464 PolarHBondContact O-N 2.89Å; F464-Q466 VanDerWaalsContact C-N 3.29Å; F464-Q466 PolarHBondContact O-N 3.09Å; F464-A474 HydrophobicContact CD1-CB 4.25Å; F464-A474 HydrophobicContact CE1-CB 3.93Å; F464-F477 HydrophobicContact CE1-CZ 4.09Å; F464-F477 HydrophobicContact CE2-CE1 4.32Å; F464-F477 HydrophobicContact CE2-CZ 4.26Å; F464-F477 AromaticContact CZ-CE1 3.8Å; F464-F477 HydrophobicContact CZ-CE1 3.8Å; F464-F477 AromaticContact CZ-CZ 3.58Å; F464-F477 HydrophobicContact CZ-CZ 3.58Å; F464-I485 HydrophobicContact CE2-CD1 3.78Å; F464-I485 HydrophobicContact CE2-CG1 3.95Å; F464-I485 HydrophobicContact CZ-CD1 4.48Å; F464-I485 HydrophobicContact CZ-CG1 4.3Å; F464-L489 HydrophobicContact CD2-CD1 3.88Å; F464-L489 HydrophobicContact CD2-CD2 4.22Å; F464-L489 HydrophobicContact CE2-CD1 4.43Å; F464-L489 HydrophobicContact CE2-CD2 4.01Å; F464-L489 HydrophobicContact CG-CD1 4.43Å; F464-L489 HydrophobicContact CZ-CD2 4.49Å
465	Q	92.4	Very high	95.4	Very high	94 Å²	94	42.7 Å²	42.7	44%	0.439	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-88.8	12.2	-177.8	-54.5	-178.7	-69.8	0	0	113.1	F461 H462 R463	F461-Q465 HydrophobicContact CE1-CG 4.25Å; H462-Q465 PolarHBondContact O-N 2.92Å; R463-Q465 VanDerWaalsContact C-N 3.32Å
466	Q	87.3	Confident	95.4	Very high	42 Å²	42	43.7 Å²	43.7	20%	0.196	22%	0.221	C	C	.	.			trans	-70.8	145	178.7	70.3	173.9	-5.4	0	0	112.2	R307 I429 R463 F464	R307-Q466 PolarHBondContact NH2-O 2.98Å; I429-Q466 HydrophobicContact CD1-CG 4.3Å; I429-Q466 VanDerWaalsContact CD1-NE2 3.3Å; R463-Q466 WeakPolarHBondContact O-CG 3.25Å; F464-Q466 VanDerWaalsContact C-N 3.29Å; F464-Q466 PolarHBondContact O-N 3.09Å
467	T	84	Confident	95.4	Very high	72 Å²	72	43.8 Å²	43.8	44%	0.442	22%	0.222	S	C	.	.			trans	-111.7	-5.5	176.6	58.3	0	0	0	0	113.3	W190 E192 R469	W190-T467 PolarHBondContact NE1-O 3.08Å; E192-T467 VanDerWaalsContact CD-CG2 3.5Å; E192-T467 HydrophobicContact CG-CG2 4.3Å; E192-T467 WeakPolarHBondContact OE2-CG2 3.46Å; T467-R469 PolarHBondContact O-N 2.83Å; T467-R469 VanDerWaalsContact O-N 3.11Å
468	V	86.6	Confident	95.5	Very high	108 Å²	108	43 Å²	43	66%	0.655	22%	0.219	S	C	*	.	S	Bend	trans	-58.1	-28.2	-174.1	-176.6	0	0	0	0	113.7	F44	F44-V468 HydrophobicContact CE1-CG2 4.22Å; F44-V468 HydrophobicContact CZ-CG2 4.28Å
469	R	90.8	Very high	95.4	Very high	83 Å²	83	41.2 Å²	41.2	31%	0.313	21%	0.208	S	C	.	.	S	Bend	trans	-153.9	151.8	170.3	59.1	169.7	177.6	108.5	9.9	110.1	N425 R428 T467 T471	N425-R469 PolarHBondContact OD1-NH1 3.3Å; R428-R469 PolarHBondContact O-NH1 2.59Å; R428-R469 PolarHBondContact O-NH2 2.04Å; T467-R469 PolarHBondContact O-N 2.83Å; T467-R469 VanDerWaalsContact O-N 3.11Å; R469-T471 HydrophobicContact CG-CG2 4.26Å; R469-T471 VanDerWaalsContact NH1-CG2 3.27Å; R469-T471 PolarHBondContact O-N 3.44Å
470	P	94.4	Very high	95.4	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.039	18%	0.183	C	C	.	.			trans	-61	127.1	174.4	21.7	-29.6	0	0	0	110.2	W190 F315 N425 L427 F472	W190-P470 HydrophobicContact CB-CG 4.42Å; W190-P470 HydrophobicContact CD2-CB 3.84Å; W190-P470 HydrophobicContact CD2-CG 4.28Å; W190-P470 HydrophobicContact CE3-CB 3.68Å; W190-P470 HydrophobicContact CE3-CG 4.22Å; W190-P470 HydrophobicContact CG-CB 4.39Å; W190-P470 HydrophobicContact CG-CG 4.38Å; W190-P470 HydrophobicContact CH2-CB 4.45Å; W190-P470 HydrophobicContact CZ3-CB 4Å; F315-P470 HydrophobicContact CD2-CB 4.49Å; F315-P470 HydrophobicContact CE2-CB 3.75Å; F315-P470 HydrophobicContact CE2-CG 3.9Å; F315-P470 HydrophobicContact CZ-CB 3.85Å; F315-P470 HydrophobicContact CZ-CG 3.83Å; N425-P470 PolarHBondContact ND2-O 2.88Å; L427-P470 HydrophobicContact CD2-CB 4.14Å; L427-P470 HydrophobicContact CD2-CG 4.17Å; L427-P470 WeakPolarHBondContact CD2-O 3.37Å; P470-F472 HydrophobicContact CB-CE2 4.13Å
471	T	96.5	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.			trans	-144.9	137.9	173.7	45.9	0	0	0	0	109.7	R307 L427 I429 R469	R307-T471 VanDerWaalsContact CD-O 3.24Å; R307-T471 WeakPolarHBondContact CD-O 3.38Å; R307-T471 PolarHBondContact NE-O 2.89Å; L427-T471 CarbonylContact O-C 3.57Å; L427-T471 VanDerWaalsContact O-CA 3.26Å; L427-T471 WeakPolarHBondContact O-CA 3.36Å; I429-T471 HydrophobicContact CG1-CG2 3.98Å; R469-T471 HydrophobicContact CG-CG2 4.26Å; R469-T471 VanDerWaalsContact NH1-CG2 3.27Å; R469-T471 PolarHBondContact O-N 3.44Å
472	F	98.2	Very high	95.4	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	18%	0.177	C	C	.	.			trans	-126.3	-18.9	-171.7	-68.5	-88.7	0	0	0	113.6	W190 P305 I306 R307 Q311 L312 F315 L427 P470	W190-F472 HydrophobicContact CH2-CZ 4.28Å; W190-F472 HydrophobicContact CZ3-CZ 4.4Å; P305-F472 CarbonylContact C-O 3.52Å; P305-F472 WeakPolarHBondContact CA-O 3.44Å; I306-F472 VanDerWaalsContact CG1-C 3.46Å; I306-F472 PolarHBondContact N-O 3.29Å; R307-F472 HydrophobicContact CB-CD1 3.65Å; R307-F472 HydrophobicContact CB-CE1 4.14Å; R307-F472 HydrophobicContact CG-CD1 4.34Å; Q311-F472 HydrophobicContact CB-CE1 4.04Å; L312-F472 HydrophobicContact CB-CD1 3.85Å; L312-F472 HydrophobicContact CB-CE1 4.25Å; L312-F472 HydrophobicContact CD1-CB 3.93Å; L312-F472 HydrophobicContact CD1-CD1 3.94Å; L312-F472 HydrophobicContact CD1-CD2 4.19Å; L312-F472 HydrophobicContact CD1-CG 3.75Å; F315-F472 HydrophobicContact CB-CE1 4.37Å; F315-F472 HydrophobicContact CB-CE2 4.05Å; F315-F472 HydrophobicContact CB-CZ 3.55Å; F315-F472 HydrophobicContact CD1-CD2 4.48Å; F315-F472 AromaticContact CD1-CE2 3.58Å; F315-F472 HydrophobicContact CD1-CE2 3.58Å; F315-F472 HydrophobicContact CD1-CZ 4.02Å; F315-F472 HydrophobicContact CD2-CE2 4.18Å; F315-F472 HydrophobicContact CD2-CZ 4.15Å; F315-F472 HydrophobicContact CE1-CE2 4.03Å; F315-F472 AromaticContact CG-CE2 3.66Å; F315-F472 HydrophobicContact CG-CE2 3.66Å; F315-F472 AromaticContact CG-CZ 3.64Å; F315-F472 HydrophobicContact CG-CZ 3.64Å; F315-F472 HydrophobicContact CZ-CE2 4.48Å; L427-F472 HydrophobicContact CB-CD2 4.12Å; L427-F472 HydrophobicContact CD1-CD2 3.85Å; L427-F472 HydrophobicContact CD1-CE2 4.24Å; L427-F472 HydrophobicContact CG-CD2 4.39Å; L427-F472 PolarHBondContact O-N 2.88Å; P470-F472 HydrophobicContact CB-CE2 4.13Å
473	F	98.8	Very high	95.5	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.2	176.2	-59.8	-85.7	0	0	0	111.2	F207 I226 I297 L299 Y304 P305 L312 L427 R428 I429	F207-F473 AromaticContact CE1-CZ 3.87Å; F207-F473 HydrophobicContact CE1-CZ 3.87Å; F207-F473 HydrophobicContact CZ-CZ 4.43Å; I226-F473 HydrophobicContact CG2-CE1 4.06Å; I297-F473 HydrophobicContact CG2-CE2 4.43Å; L299-F473 HydrophobicContact CD1-CD1 4.31Å; L299-F473 HydrophobicContact CD1-CE1 3.92Å; L299-F473 HydrophobicContact CD1-CZ 4.43Å; L299-F473 HydrophobicContact CD2-CB 4.34Å; L299-F473 HydrophobicContact CD2-CD1 3.66Å; L299-F473 HydrophobicContact CD2-CD2 4.44Å; L299-F473 HydrophobicContact CD2-CE1 4.05Å; L299-F473 HydrophobicContact CD2-CG 3.89Å; Y304-F473 CarbonylContact O-C 3.56Å; Y304-F473 WeakPolarHBondContact O-CA 3.37Å; P305-F473 HydrophobicContact CB-CD1 4.17Å; P305-F473 HydrophobicContact CB-CE1 4.09Å; L312-F473 HydrophobicContact CD1-CE2 4.33Å; L312-F473 HydrophobicContact CD2-CE2 3.91Å; L312-F473 HydrophobicContact CD2-CZ 3.76Å; L427-F473 PolarHBondContact O-N 2.91Å; R428-F473 CarbonylContact C-O 3.58Å; R428-F473 VanDerWaalsContact CA-O 3.28Å; R428-F473 WeakPolarHBondContact CA-O 3.47Å; I429-F473 PolarHBondContact N-O 2.83Å
474	A	98.8	Very high	95.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.3	173.9	0	0	0	0	0	111.7	D303 Y304 I306 I429 F456 F464 F477	D303-A474 CarbonylContact C-O 3.57Å; D303-A474 WeakPolarHBondContact CA-O 3.41Å; Y304-A474 PolarHBondContact N-O 3.06Å; Y304-A474 PolarHBondContact O-N 2.77Å; I306-A474 HydrophobicContact CG2-CB 3.62Å; I429-A474 HydrophobicContact CB-CB 3.98Å; I429-A474 CarbonylContact O-C 3.5Å; I429-A474 WeakPolarHBondContact O-CA 3.31Å; F456-A474 HydrophobicContact CE2-CB 3.7Å; F456-A474 HydrophobicContact CZ-CB 4.05Å; F464-A474 HydrophobicContact CD1-CB 4.25Å; F464-A474 HydrophobicContact CE1-CB 3.93Å; A474-F477 HydrophobicContact CB-CE2 4.03Å; A474-F477 HydrophobicContact CB-CZ 4.25Å; A474-F477 WeakPolarHBondContact O-CE2 3.2Å
475	R	98.7	Very high	95.7	Very high	26 Å²	26	31.4 Å²	31.4	10%	0.098	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.4	172.8	72.2	-164.4	-52.2	-95.1	-6.4	113	S300 D303 W372 I429 T430 N431 F456	S300-R475 PolarHBondContact OG-NH2 3.18Å; D303-R475 HydrophobicContact CB-CB 4.49Å; D303-R475 WeakPolarHBondContact OD1-CD 3.36Å; D303-R475 IonicContact OD1-NE 3.28Å; D303-R475 IonicContact OD2-CZ 2.68Å; D303-R475 IonicContact OD2-NE 2.65Å; D303-R475 PolarHBondContact OD2-NE 2.9Å; D303-R475 IonicContact OD2-NH2 3.95Å; W372-R475 VanDerWaalsContact CZ2-CZ 3.45Å; I429-R475 PolarHBondContact O-N 2.9Å; T430-R475 WeakPolarHBondContact CA-O 3.34Å; T430-R475 HydrophobicContact CG2-CG 4.16Å; N431-R475 PolarHBondContact N-O 2.85Å; F456-R475 VanDerWaalsContact CE2-C 3.46Å; F456-R475 WeakPolarHBondContact CE2-O 3.27Å
476	K	98.5	Very high	96	Very high	25 Å²	25	27 Å²	27	11%	0.109	14%	0.137	C	C	.	.			cis	-109.5	158.9	8.4	-70.2	179	59.2	-85.3	0	114.3	A302 P453 N454 D455 F456 E478	A302-K476 HydrophobicContact CB-CB 4.18Å; A302-K476 HydrophobicContact CB-CG 4.2Å; A302-K476 CarbonylContact O-C 3.58Å; A302-K476 VanDerWaalsContact O-CA 3.27Å; A302-K476 WeakPolarHBondContact O-CA 3.46Å; P453-K476 HydrophobicContact CB-CG 4.41Å; N454-K476 PolarHBondContact O-N 2.82Å; D455-K476 CarbonylContact C-O 3.54Å; D455-K476 WeakPolarHBondContact CA-O 3.37Å; D455-K476 VanDerWaalsContact CG-NZ 3.31Å; D455-K476 WeakPolarHBondContact OD1-CB 3.35Å; D455-K476 IonicContact OD1-NZ 2.7Å; D455-K476 PolarHBondContact OD1-NZ 3.31Å; D455-K476 IonicContact OD2-NZ 2.8Å; D455-K476 PolarHBondContact OD2-NZ 3.17Å; D455-K476 VanDerWaalsContact OD2-NZ 3.17Å; F456-K476 VanDerWaalsContact CD2-O 3.24Å; F456-K476 WeakPolarHBondContact CD2-O 3.37Å; F456-K476 PolarHBondContact N-O 2.63Å; K476-E478 IonicContact NZ-OE2 3.25Å; K476-E478 PolarHBondContact NZ-OE2 3.25Å
477	F	98.8	Very high	96.5	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.013	13%	0.134	C	C	.	.			trans	-129.1	127	170.6	-59.1	-86.7	0	0	0	109.8	A302 Y304 F456 F464 A474 I485 V486 L489	A302-F477 WeakPolarHBondContact CA-O 3.42Å; A302-F477 WeakPolarHBondContact CB-O 3.2Å; A302-F477 PolarHBondContact O-N 3.37Å; Y304-F477 VanDerWaalsContact CB-CE2 3.42Å; F456-F477 HydrophobicContact CB-CD1 4.09Å; F456-F477 HydrophobicContact CB-CE1 3.82Å; F456-F477 HydrophobicContact CD2-CD1 4.08Å; F456-F477 HydrophobicContact CD2-CD2 4.28Å; F456-F477 AromaticContact CD2-CE1 3.6Å; F456-F477 HydrophobicContact CD2-CE1 3.6Å; F456-F477 AromaticContact CD2-CE2 3.83Å; F456-F477 HydrophobicContact CD2-CE2 3.83Å; F456-F477 HydrophobicContact CD2-CG 4.41Å; F456-F477 AromaticContact CD2-CZ 3.47Å; F456-F477 HydrophobicContact CD2-CZ 3.47Å; F456-F477 VanDerWaalsContact CD2-CZ 3.47Å; F456-F477 HydrophobicContact CE2-CE2 4.11Å; F456-F477 AromaticContact CE2-CZ 3.97Å; F456-F477 HydrophobicContact CE2-CZ 3.97Å; F456-F477 HydrophobicContact CG-CE1 4.06Å; F456-F477 HydrophobicContact CG-CZ 4.28Å; F464-F477 HydrophobicContact CE1-CZ 4.09Å; F464-F477 HydrophobicContact CE2-CE1 4.32Å; F464-F477 HydrophobicContact CE2-CZ 4.26Å; F464-F477 AromaticContact CZ-CE1 3.8Å; F464-F477 HydrophobicContact CZ-CE1 3.8Å; F464-F477 AromaticContact CZ-CZ 3.58Å; F464-F477 HydrophobicContact CZ-CZ 3.58Å; A474-F477 HydrophobicContact CB-CE2 4.03Å; A474-F477 HydrophobicContact CB-CZ 4.25Å; A474-F477 WeakPolarHBondContact O-CE2 3.2Å; F477-I485 HydrophobicContact CD1-CG2 3.91Å; F477-I485 HydrophobicContact CE1-CG1 4.17Å; F477-I485 HydrophobicContact CE1-CG2 4.12Å; F477-V486 HydrophobicContact CB-CG2 4.13Å; F477-V486 HydrophobicContact CD1-CG2 3.96Å; F477-V486 HydrophobicContact CG-CG2 4.37Å; F477-L489 HydrophobicContact CE1-CD2 4.12Å; F477-L489 HydrophobicContact CE2-CD2 4.44Å; F477-L489 HydrophobicContact CZ-CD2 3.68Å
478	E	98.6	Very high	97.1	Very high	46 Å²	46	25.6 Å²	25.6	22%	0.215	13%	0.127	C	C	.	.			trans	-129.3	115.9	173.3	-81.1	179.3	23.3	0	0	108.3	K476 S480 V481 N482 R633	K476-E478 IonicContact NZ-OE2 3.25Å; K476-E478 PolarHBondContact NZ-OE2 3.25Å; E478-S480 VanDerWaalsContact C-N 3.26Å; E478-S480 PolarHBondContact O-N 3.32Å; E478-V481 HydrophobicContact CB-CB 3.79Å; E478-V481 HydrophobicContact CB-CG2 3.66Å; E478-V481 CarbonylContact O-C 3.25Å; E478-V481 WeakPolarHBondContact O-CA 3.05Å; E478-V481 WeakPolarHBondContact O-CB 3.38Å; E478-V481 PolarHBondContact O-N 3.38Å; E478-V481 WeakPolarHBondContact OE1-CG2 3.07Å; E478-N482 PolarHBondContact O-N 3.18Å; E478-R633 IonicContact OE1-CZ 3.53Å; E478-R633 VanDerWaalsContact OE1-CZ 3.25Å; E478-R633 IonicContact OE1-NH1 2.71Å; E478-R633 PolarHBondContact OE1-NH1 3.14Å; E478-R633 IonicContact OE1-NH2 3.56Å; E478-R633 PolarHBondContact OE1-NH2 2.8Å; E478-R633 IonicContact OE2-NH2 3.63Å
479	A	98	Very high	97.7	Very high	3 Å²	3	20.5 Å²	20.5	3%	0.025	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.3	-172.9	0	0	0	0	0	113.7	Q218 V481 Q483 Y507	Q218-A479 HydrophobicContact CB-CB 4.22Å; Q218-A479 HydrophobicContact CG-CB 4.36Å; A479-V481 PolarHBondContact O-N 3.22Å; A479-Q483 HydrophobicContact CB-CB 4.27Å; A479-Q483 HydrophobicContact CB-CG 4.46Å; A479-Y507 HydrophobicContact CB-CD1 3.94Å; A479-Y507 HydrophobicContact CB-CD2 3.75Å; A479-Y507 HydrophobicContact CB-CE1 3.82Å; A479-Y507 HydrophobicContact CB-CE2 3.63Å; A479-Y507 HydrophobicContact CB-CG 3.92Å
480	S	97.1	Very high	98	Very high	16 Å²	16	16.8 Å²	16.8	11%	0.112	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.5	168.3	45.7	0	0	0	0	113.9	E478	E478-S480 VanDerWaalsContact C-N 3.26Å; E478-S480 PolarHBondContact O-N 3.32Å
481	V	98.1	Very high	98.2	Very high	16 Å²	16	18.3 Å²	18.3	10%	0.097	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-34.4	-177.8	176	0	0	0	0	112.1	D455 K457 E478 A479 E629 M631	D455-V481 HydrophobicContact CB-CG1 4.01Å; K457-V481 PolarHBondContact NZ-O 3.25Å; E478-V481 HydrophobicContact CB-CB 3.79Å; E478-V481 HydrophobicContact CB-CG2 3.66Å; E478-V481 CarbonylContact O-C 3.25Å; E478-V481 WeakPolarHBondContact O-CA 3.05Å; E478-V481 WeakPolarHBondContact O-CB 3.38Å; E478-V481 PolarHBondContact O-N 3.38Å; E478-V481 WeakPolarHBondContact OE1-CG2 3.07Å; A479-V481 PolarHBondContact O-N 3.22Å; V481-E629 HydrophobicContact CG1-CB 4.24Å; V481-E629 HydrophobicContact CG1-CG 4.01Å; V481-M631 HydrophobicContact CG1-SD 4.49Å; V481-M631 HydrophobicContact CG2-SD 3.85Å
482	N	98.5	Very high	98.2	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.091	12%	0.118	C	C	.	.			trans	-168.7	113.3	159.6	-178.3	-111	0	0	0	109	K457 P458 E478 I485 D571	K457-N482 HydrophobicContact CD-CB 3.89Å; P458-N482 WeakPolarHBondContact CD-OD1 3.18Å; E478-N482 PolarHBondContact O-N 3.18Å; N482-I485 VanDerWaalsContact OD1-CB 3.3Å; N482-I485 WeakPolarHBondContact OD1-CB 3.33Å; N482-I485 WeakPolarHBondContact OD1-CG2 3.42Å; N482-I485 PolarHBondContact OD1-N 2.72Å; N482-D571 VanDerWaalsContact CA-OD2 3.23Å; N482-D571 WeakPolarHBondContact CA-OD2 3.29Å; N482-D571 VanDerWaalsContact CG-OD2 3.26Å; N482-D571 PolarHBondContact ND2-OD2 2.99Å
483	Q	98.3	Very high	98.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.019	12%	0.124	C	C	.	.	S	Bend	trans	-86.4	-21.6	170.8	-174.8	174.8	-126	0	0	111.6	A479 I485 V486 N487 S506 D571	A479-Q483 HydrophobicContact CB-CB 4.27Å; A479-Q483 HydrophobicContact CB-CG 4.46Å; Q483-I485 PolarHBondContact O-N 3.26Å; Q483-V486 WeakPolarHBondContact O-CA 3.32Å; Q483-V486 WeakPolarHBondContact O-CB 3.29Å; Q483-V486 PolarHBondContact O-N 3.06Å; Q483-N487 PolarHBondContact O-N 3.41Å; Q483-S506 PolarHBondContact NE2-O 2.7Å; Q483-D571 VanDerWaalsContact CB-OD1 3.27Å; Q483-D571 WeakPolarHBondContact CB-OD1 3.45Å; Q483-D571 VanDerWaalsContact N-CG 3.27Å; Q483-D571 PolarHBondContact N-OD1 2.93Å; Q483-D571 PolarHBondContact N-OD2 2.78Å
484	E	98.4	Very high	98.1	Very high	93 Å²	93	27.1 Å²	27.1	44%	0.435	13%	0.132	S	C	.	.	H	α-helix	trans	-55.9	-47	-176.8	-164.1	-161.7	153.3	0	0	112.8	P458 V486 N487 Q488 D571	P458-E484 HydrophobicContact CG-CB 4.14Å; P458-E484 HydrophobicContact CG-CG 4.3Å; P458-E484 VanDerWaalsContact CG-OE2 3.24Å; P458-E484 WeakPolarHBondContact CG-OE2 3.26Å; E484-V486 PolarHBondContact O-N 3.29Å; E484-N487 WeakPolarHBondContact O-CA 3.2Å; E484-N487 WeakPolarHBondContact O-CB 3.37Å; E484-N487 PolarHBondContact O-N 2.82Å; E484-Q488 WeakPolarHBondContact O-CG 3.48Å; E484-Q488 PolarHBondContact O-N 2.96Å; E484-Q488 PolarHBondContact OE1-NE2 3.27Å; E484-D571 PolarHBondContact N-OD2 3.12Å; E484-D571 VanDerWaalsContact N-OD2 3.09Å
485	I	98.4	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-31.3	177.6	-169.6	57.6	0	0	0	112.7	F456 K457 F461 F464 F477 N482 Q483 L489	F456-I485 HydrophobicContact CB-CG1 4.24Å; F456-I485 HydrophobicContact CB-CG2 4.35Å; K457-I485 WeakPolarHBondContact O-CD1 3.44Å; F461-I485 HydrophobicContact CB-CD1 3.81Å; F461-I485 HydrophobicContact CD2-CD1 4.03Å; F461-I485 HydrophobicContact CG-CD1 4.44Å; F464-I485 HydrophobicContact CE2-CD1 3.78Å; F464-I485 HydrophobicContact CE2-CG1 3.95Å; F464-I485 HydrophobicContact CZ-CD1 4.48Å; F464-I485 HydrophobicContact CZ-CG1 4.3Å; F477-I485 HydrophobicContact CD1-CG2 3.91Å; F477-I485 HydrophobicContact CE1-CG1 4.17Å; F477-I485 HydrophobicContact CE1-CG2 4.12Å; N482-I485 VanDerWaalsContact OD1-CB 3.3Å; N482-I485 WeakPolarHBondContact OD1-CB 3.33Å; N482-I485 WeakPolarHBondContact OD1-CG2 3.42Å; N482-I485 PolarHBondContact OD1-N 2.72Å; Q483-I485 PolarHBondContact O-N 3.26Å; I485-L489 VanDerWaalsContact O-CB 3.23Å; I485-L489 WeakPolarHBondContact O-CB 3.35Å; I485-L489 PolarHBondContact O-N 3.15Å
486	V	98.4	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-73.8	-36.5	175.7	-170	0	0	0	0	110.5	Y304 F477 Q483 E484 D490	Y304-V486 HydrophobicContact CD2-CG1 4.27Å; Y304-V486 HydrophobicContact CE1-CG1 4.47Å; Y304-V486 HydrophobicContact CE2-CG1 3.84Å; F477-V486 HydrophobicContact CB-CG2 4.13Å; F477-V486 HydrophobicContact CD1-CG2 3.96Å; F477-V486 HydrophobicContact CG-CG2 4.37Å; Q483-V486 WeakPolarHBondContact O-CA 3.32Å; Q483-V486 WeakPolarHBondContact O-CB 3.29Å; Q483-V486 PolarHBondContact O-N 3.06Å; E484-V486 PolarHBondContact O-N 3.29Å; V486-D490 VanDerWaalsContact O-CB 3.25Å; V486-D490 WeakPolarHBondContact O-CB 3.49Å; V486-D490 PolarHBondContact O-N 3.1Å
487	N	97.6	Very high	97.6	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.134	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-45.8	171.9	-79.3	-2.8	0	0	0	111.9	R221 Q483 E484 A491 L504	R221-N487 VanDerWaalsContact CZ-OD1 3.24Å; R221-N487 PolarHBondContact NH1-OD1 3.04Å; R221-N487 PolarHBondContact NH2-OD1 3.48Å; Q483-N487 PolarHBondContact O-N 3.41Å; E484-N487 WeakPolarHBondContact O-CA 3.2Å; E484-N487 WeakPolarHBondContact O-CB 3.37Å; E484-N487 PolarHBondContact O-N 2.82Å; N487-A491 VanDerWaalsContact O-CB 3.31Å; N487-A491 WeakPolarHBondContact O-CB 3.42Å; N487-A491 PolarHBondContact O-N 2.95Å; N487-A491 VanDerWaalsContact O-N 3.13Å; N487-L504 PolarHBondContact ND2-O 2.94Å
488	Q	98.1	Very high	97.4	Very high	61 Å²	61	37.8 Å²	37.8	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-61	-47.2	176.3	-66.6	176.7	6.4	0	0	111.5	F461 E484 Y492	F461-Q488 HydrophobicContact CD2-CB 3.87Å; F461-Q488 HydrophobicContact CE2-CB 3.96Å; E484-Q488 WeakPolarHBondContact O-CG 3.48Å; E484-Q488 PolarHBondContact O-N 2.96Å; E484-Q488 PolarHBondContact OE1-NE2 3.27Å; Q488-Y492 WeakPolarHBondContact O-CB 3.48Å; Q488-Y492 PolarHBondContact O-N 3.27Å
489	L	98.4	Very high	97	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-41.7	-177.5	-176.7	56.3	0	0	0	113.1	Y304 I306 F464 F477 I485 Y492 L493	Y304-L489 HydrophobicContact CD1-CD2 3.74Å; Y304-L489 HydrophobicContact CD1-CG 4.06Å; Y304-L489 HydrophobicContact CG-CD2 4.39Å; I306-L489 HydrophobicContact CG2-CD1 4.22Å; I306-L489 HydrophobicContact CG2-CD2 3.98Å; F464-L489 HydrophobicContact CD2-CD1 3.88Å; F464-L489 HydrophobicContact CD2-CD2 4.22Å; F464-L489 HydrophobicContact CE2-CD1 4.43Å; F464-L489 HydrophobicContact CE2-CD2 4.01Å; F464-L489 HydrophobicContact CG-CD1 4.43Å; F464-L489 HydrophobicContact CZ-CD2 4.49Å; F477-L489 HydrophobicContact CE1-CD2 4.12Å; F477-L489 HydrophobicContact CE2-CD2 4.44Å; F477-L489 HydrophobicContact CZ-CD2 3.68Å; I485-L489 VanDerWaalsContact O-CB 3.23Å; I485-L489 WeakPolarHBondContact O-CB 3.35Å; I485-L489 PolarHBondContact O-N 3.15Å; L489-Y492 PolarHBondContact O-N 3.08Å; L489-L493 HydrophobicContact CD1-CD1 4.07Å; L489-L493 HydrophobicContact CD1-CG 4.28Å; L489-L493 HydrophobicContact CG-CD1 4.26Å; L489-L493 WeakPolarHBondContact O-CG 3.23Å; L489-L493 PolarHBondContact O-N 3.41Å; L489-L493 VanDerWaalsContact O-N 3.12Å
490	D	98.1	Very high	96.5	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.032	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-41	177.1	-167.2	83.7	0	0	0	112.3	Y304 V486 Y492 L493 F494 R838	Y304-D490 HydrophobicContact CE1-CB 4.34Å; Y304-D490 PolarHBondContact OH-OD1 3.48Å; V486-D490 VanDerWaalsContact O-CB 3.25Å; V486-D490 WeakPolarHBondContact O-CB 3.49Å; V486-D490 PolarHBondContact O-N 3.1Å; D490-Y492 VanDerWaalsContact C-N 3.34Å; D490-L493 PolarHBondContact O-N 3.4Å; D490-F494 PolarHBondContact O-N 3.04Å; D490-R838 IonicContact OD1-NE 3.19Å; D490-R838 IonicContact OD2-CZ 2.8Å; D490-R838 VanDerWaalsContact OD2-CZ 3.3Å; D490-R838 IonicContact OD2-NE 3.34Å; D490-R838 PolarHBondContact OD2-NE 3.37Å; D490-R838 IonicContact OD2-NH2 3.85Å; D490-R838 PolarHBondContact OD2-NH2 3.46Å
491	A	97.4	Very high	96.3	Very high	38 Å²	38	49.5 Å²	49.5	31%	0.314	29%	0.285	S	S	.	.	H	α-helix	trans	-69	-31.7	176.9	0	0	0	0	0	112.8	N487 G495	N487-A491 VanDerWaalsContact O-CB 3.31Å; N487-A491 WeakPolarHBondContact O-CB 3.42Å; N487-A491 PolarHBondContact O-N 2.95Å; N487-A491 VanDerWaalsContact O-N 3.13Å; A491-G495 CarbonylContact O-C 3.57Å; A491-G495 VanDerWaalsContact O-C 3.32Å; A491-G495 WeakPolarHBondContact O-CA 3.43Å; A491-G495 PolarHBondContact O-N 2.95Å; A491-G495 VanDerWaalsContact O-N 3.09Å
492	Y	97.9	Very high	96.1	Very high	122 Å²	122	53.3 Å²	53.3	48%	0.478	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-39	174	175.6	-110.9	0	0	0	112.7	F461 Q488 L489 D490	F461-Y492 HydrophobicContact CE2-CG 4.44Å; F461-Y492 HydrophobicContact CZ-CD1 4.13Å; F461-Y492 HydrophobicContact CZ-CD2 4.04Å; F461-Y492 AromaticContact CZ-CG 3.73Å; F461-Y492 HydrophobicContact CZ-CG 3.73Å; Q488-Y492 WeakPolarHBondContact O-CB 3.48Å; Q488-Y492 PolarHBondContact O-N 3.27Å; L489-Y492 PolarHBondContact O-N 3.08Å; D490-Y492 VanDerWaalsContact C-N 3.34Å
493	L	97.3	Very high	95.9	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-83.1	-31.8	-176.3	-68.4	175.9	0	0	0	114.5	P305 L489 D490	P305-L493 HydrophobicContact CB-CD1 4.38Å; P305-L493 HydrophobicContact CG-CD1 4.38Å; P305-L493 VanDerWaalsContact O-CD1 3.3Å; P305-L493 WeakPolarHBondContact O-CD1 3.46Å; L489-L493 HydrophobicContact CD1-CD1 4.07Å; L489-L493 HydrophobicContact CD1-CG 4.28Å; L489-L493 HydrophobicContact CG-CD1 4.26Å; L489-L493 WeakPolarHBondContact O-CG 3.23Å; L489-L493 PolarHBondContact O-N 3.41Å; L489-L493 VanDerWaalsContact O-N 3.12Å; D490-L493 PolarHBondContact O-N 3.4Å
494	F	96.9	Very high	95.7	Very high	42 Å²	42	55.7 Å²	55.7	18%	0.184	32%	0.32	C	S	.	.	H	α-helix	trans	-135.3	18.7	-168.4	-47.7	-62.6	0	0	0	113.4	A225 N308 D490 R838	A225-F494 HydrophobicContact CB-CE2 3.68Å; A225-F494 HydrophobicContact CB-CZ 4.17Å; N308-F494 HydrophobicContact CB-CE1 4.46Å; D490-F494 PolarHBondContact O-N 3.04Å; F494-R838 HydrophobicContact CB-CG 3.98Å; F494-R838 VanDerWaalsContact CB-CZ 3.44Å; F494-R838 HydrophobicContact CD2-CG 3.75Å; F494-R838 HydrophobicContact CE2-CG 4.42Å; F494-R838 HydrophobicContact CG-CG 3.84Å; F494-R838 PolarHBondContact O-NH1 2.92Å
495	G	96.9	Very high	95.6	Very high	31 Å²	31	54.6 Å²	54.6	32%	0.32	32%	0.317	S	S	.	.			trans	70.1	159.8	-174.6	0	0	0	0	0	113.8	A491 R838	A491-G495 CarbonylContact O-C 3.57Å; A491-G495 VanDerWaalsContact O-C 3.32Å; A491-G495 WeakPolarHBondContact O-CA 3.43Å; A491-G495 PolarHBondContact O-N 2.95Å; A491-G495 VanDerWaalsContact O-N 3.09Å; G495-R838 PolarHBondContact O-NH2 3.15Å
496	P	94.9	Very high	95.6	Very high	111 Å²	111	54.9 Å²	54.9	72%	0.721	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-66	146.5	173.8	29.5	-35	0	0	0	111.2
497	L	92.6	Very high	95.6	Very high	39 Å²	39	55 Å²	55	20%	0.204	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-67.6	155.4	168.2	-65.9	179	0	0	0	110.5	T501 L504 K825	L497-T501 HydrophobicContact CB-CG2 4.26Å; L497-T501 HydrophobicContact CD1-CG2 4.16Å; L497-L504 HydrophobicContact CD1-CD1 4.4Å; L497-K825 HydrophobicContact CD1-CB 4.1Å
498	P	94.4	Very high	95.6	Very high	98 Å²	98	53.9 Å²	53.9	64%	0.636	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-53.4	144.2	-175.7	-28.8	36	0	0	0	114.2	G500 T501	P498-G500 PolarHBondContact O-N 2.93Å; P498-T501 VanDerWaalsContact O-CB 3.27Å; P498-T501 WeakPolarHBondContact O-CB 3.25Å; P498-T501 PolarHBondContact O-N 3.19Å; P498-T501 PolarHBondContact O-OG1 2.98Å
499	Q	90.3	Very high	95.7	Very high	205 Å²	205	52.2 Å²	52.2	96%	0.958	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	132.4	177.2	-172.4	175.9	-0.2	0	0	110.8
500	G	89.1	Confident	95.7	Very high	71 Å²	71	52.4 Å²	52.4	73%	0.732	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	1.4	-174.5	0	0	0	0	0	115.1	P498 L502	P498-G500 PolarHBondContact O-N 2.93Å; G500-L502 PolarHBondContact O-N 2.97Å; G500-L502 VanDerWaalsContact O-N 3.11Å
501	T	92.4	Very high	95.7	Very high	35 Å²	35	54.2 Å²	54.2	22%	0.215	32%	0.318	C	S	.	.			trans	-56.1	115.8	172.1	-65.2	0	0	0	0	111	L497 P498 P824	L497-T501 HydrophobicContact CB-CG2 4.26Å; L497-T501 HydrophobicContact CD1-CG2 4.16Å; P498-T501 VanDerWaalsContact O-CB 3.27Å; P498-T501 WeakPolarHBondContact O-CB 3.25Å; P498-T501 PolarHBondContact O-N 3.19Å; P498-T501 PolarHBondContact O-OG1 2.98Å; T501-P824 HydrophobicContact CG2-CB 4.1Å; T501-P824 HydrophobicContact CG2-CG 3.99Å
502	L	93.3	Very high	95.7	Very high	95 Å²	95	52.7 Å²	52.7	50%	0.497	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	156.1	177.9	-61.4	-179.5	0	0	0	111.9	G500 L504 P822 P824	G500-L502 PolarHBondContact O-N 2.97Å; G500-L502 VanDerWaalsContact O-N 3.11Å; L502-L504 PolarHBondContact O-N 3.33Å; L502-P822 HydrophobicContact CD1-CB 4.46Å; L502-P822 HydrophobicContact CD1-CG 4.19Å; L502-P824 WeakPolarHBondContact O-CD 3.4Å
503	G	93.9	Very high	95.8	Very high	13 Å²	13	48.2 Å²	48.2	13%	0.134	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	-4.2	173.9	0	0	0	0	0	116.5	N505 S506 K825	G503-N505 VanDerWaalsContact C-N 3.3Å; G503-N505 PolarHBondContact O-N 2.79Å; G503-S506 PolarHBondContact O-N 2.85Å; G503-K825 PolarHBondContact O-NZ 3.13Å
504	L	94.8	Very high	95.8	Very high	58 Å²	58	51.8 Å²	51.8	30%	0.304	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-41.8	-174.8	-178.9	59.5	0	0	0	113.8	N487 L497 L502	N487-L504 PolarHBondContact ND2-O 2.94Å; L497-L504 HydrophobicContact CD1-CD1 4.4Å; L502-L504 PolarHBondContact O-N 3.33Å
505	N	96	Very high	95.8	Very high	71 Å²	71	53.9 Å²	53.9	38%	0.38	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	4	179.8	-66.7	-17	0	0	0	113.6	G503 H569 L570	G503-N505 VanDerWaalsContact C-N 3.3Å; G503-N505 PolarHBondContact O-N 2.79Å; N505-H569 WeakPolarHBondContact O-CA 3.39Å; N505-L570 HydrophobicContact CB-CD2 3.83Å; N505-L570 HydrophobicContact CB-CG 4.23Å; N505-L570 PolarHBondContact O-N 3.15Å
506	S	98.2	Very high	95.8	Very high	5 Å²	5	54.2 Å²	54.2	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	152.6	179.3	-63.5	0	0	0	0	111.2	Q483 G503 F568 H569 K825	Q483-S506 PolarHBondContact NE2-O 2.7Å; G503-S506 PolarHBondContact O-N 2.85Å; S506-F568 CarbonylContact C-O 3.21Å; S506-F568 VanDerWaalsContact CA-O 3.26Å; S506-F568 WeakPolarHBondContact CA-O 3.34Å; S506-H569 PolarHBondContact OG-ND1 3.02Å; S506-K825 WeakPolarHBondContact O-CE 3.47Å; S506-K825 PolarHBondContact O-NZ 3.43Å
507	Y	98.7	Very high	95.9	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.2	170	-178.1	-115.7	0	0	0	110.2	A215 R217 Q218 A479 E509 F568	A215-Y507 WeakPolarHBondContact CA-OH 3.27Å; A215-Y507 WeakPolarHBondContact CB-OH 3.47Å; R217-Y507 HydrophobicContact CB-CE2 4.12Å; Q218-Y507 HydrophobicContact CB-CE2 4.22Å; A479-Y507 HydrophobicContact CB-CD1 3.94Å; A479-Y507 HydrophobicContact CB-CD2 3.75Å; A479-Y507 HydrophobicContact CB-CE1 3.82Å; A479-Y507 HydrophobicContact CB-CE2 3.63Å; A479-Y507 HydrophobicContact CB-CG 3.92Å; Y507-E509 HydrophobicContact CE1-CB 3.74Å; Y507-E509 HydrophobicContact CE1-CG 4.46Å; Y507-E509 VanDerWaalsContact CE1-OE2 3.31Å; Y507-E509 WeakPolarHBondContact CE1-OE2 3.48Å; Y507-E509 PolarHBondContact OH-OE2 2.81Å; Y507-F568 AromaticContact CD1-CD2 3.85Å; Y507-F568 HydrophobicContact CD1-CD2 3.85Å; Y507-F568 HydrophobicContact CD1-CE2 4.22Å; Y507-F568 PolarHBondContact N-O 3.29Å; Y507-F568 PolarHBondContact O-N 3.28Å
508	W	98.8	Very high	96	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.1	-178.2	-64.2	-88.9	0	0	0	109.5	R217 L566 Y567 W817 S821 D823	R217-W508 VanDerWaalsContact NH1-CE3 3.26Å; W508-L566 WeakPolarHBondContact CA-O 3.27Å; W508-Y567 AromaticContact CD1-CD2 3.74Å; W508-Y567 HydrophobicContact CD2-CD2 4.48Å; W508-Y567 AromaticContact CE2-CD2 3.86Å; W508-Y567 AromaticContact CE2-CE2 3.93Å; W508-Y567 HydrophobicContact CG-CD2 4.45Å; W508-Y567 HydrophobicContact CZ2-CD2 4.45Å; W508-Y567 HydrophobicContact CZ2-CE2 4.05Å; W508-Y567 AromaticContact NE1-CD2 3.33Å; W508-Y567 VanDerWaalsContact NE1-CD2 3.33Å; W508-Y567 AromaticContact NE1-CE2 3.76Å; W508-W817 PolarHBondContact NE1-O 3.47Å; W508-S821 WeakPolarHBondContact CH2-OG 3.4Å; W508-S821 WeakPolarHBondContact CZ2-OG 3.44Å; W508-D823 VanDerWaalsContact CE3-OD2 3.27Å; W508-D823 HydrophobicContact CZ3-CB 4.13Å; W508-D823 WeakPolarHBondContact CZ3-OD2 3.32Å
509	E	98.8	Very high	96.1	Very high	26 Å²	26	49.3 Å²	49.3	12%	0.121	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.4	179.4	-170	161.3	116.6	0	0	110.5	R214 A215 Y507 V511 H565 L566	R214-E509 HydrophobicContact CB-CG 3.89Å; A215-E509 WeakPolarHBondContact CA-OE2 3.46Å; A215-E509 WeakPolarHBondContact CB-OE2 3.48Å; Y507-E509 HydrophobicContact CE1-CB 3.74Å; Y507-E509 HydrophobicContact CE1-CG 4.46Å; Y507-E509 VanDerWaalsContact CE1-OE2 3.31Å; Y507-E509 WeakPolarHBondContact CE1-OE2 3.48Å; Y507-E509 PolarHBondContact OH-OE2 2.81Å; E509-V511 PolarHBondContact O-N 3.1Å; E509-H565 CarbonylContact O-C 3.49Å; E509-H565 VanDerWaalsContact O-CA 3.26Å; E509-H565 WeakPolarHBondContact O-CA 3.32Å; E509-L566 PolarHBondContact N-O 3.47Å; E509-L566 VanDerWaalsContact N-O 3.09Å; E509-L566 PolarHBondContact O-N 2.86Å
510	N	98.8	Very high	96.4	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.7	-177.7	179.9	-76.1	0	0	0	110.5	R214 Y243 Y512 V564 H565	R214-N510 VanDerWaalsContact CB-O 3.26Å; R214-N510 WeakPolarHBondContact CB-O 3.39Å; R214-N510 WeakPolarHBondContact CG-O 3.39Å; R214-N510 PolarHBondContact NE-O 3.08Å; R214-N510 PolarHBondContact NH2-OD1 2.86Å; Y243-N510 HydrophobicContact CD1-CB 4.47Å; Y243-N510 HydrophobicContact CE1-CB 3.78Å; Y243-N510 HydrophobicContact CE2-CB 3.9Å; Y243-N510 VanDerWaalsContact CZ-CB 3.46Å; N510-Y512 PolarHBondContact ND2-O 3.22Å; N510-Y512 VanDerWaalsContact OD1-C 3.22Å; N510-Y512 PolarHBondContact OD1-N 3.43Å; N510-Y512 PolarHBondContact OD1-O 3.49Å; N510-V564 CarbonylContact C-O 3.32Å; N510-H565 VanDerWaalsContact CA-CD2 3.47Å; N510-H565 WeakPolarHBondContact CA-CD2 3.42Å; N510-H565 PolarHBondContact ND2-NE2 2.96Å
511	V	98.1	Very high	96.7	Very high	45 Å²	45	40.3 Å²	40.3	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-17.7	176.5	-68.6	0	0	0	0	113.2	E509 V564 L566 Y576	E509-V511 PolarHBondContact O-N 3.1Å; V511-V564 HydrophobicContact CG2-CB 4.1Å; V511-V564 HydrophobicContact CG2-CG1 3.86Å; V511-V564 WeakPolarHBondContact CG2-O 3.43Å; V511-V564 PolarHBondContact N-O 3.43Å; V511-L566 HydrophobicContact CG1-CD1 3.63Å; V511-L566 HydrophobicContact CG1-CG 3.7Å; V511-Y576 HydrophobicContact CG2-CE1 4.49Å
512	Y	98.5	Very high	97	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142.8	173.4	-179.8	-112.1	0	0	0	111.9	N510 V518 L521 P561 S563 V564	N510-Y512 PolarHBondContact ND2-O 3.22Å; N510-Y512 VanDerWaalsContact OD1-C 3.22Å; N510-Y512 PolarHBondContact OD1-N 3.43Å; N510-Y512 PolarHBondContact OD1-O 3.49Å; Y512-V518 PolarHBondContact OH-N 3.46Å; Y512-L521 HydrophobicContact CD1-CD1 4.26Å; Y512-L521 HydrophobicContact CD2-CD1 3.99Å; Y512-L521 HydrophobicContact CD2-CD2 3.55Å; Y512-L521 HydrophobicContact CD2-CG 3.69Å; Y512-L521 HydrophobicContact CE1-CD1 4.21Å; Y512-L521 HydrophobicContact CE2-CD1 3.96Å; Y512-L521 HydrophobicContact CE2-CD2 4.21Å; Y512-L521 HydrophobicContact CE2-CG 3.81Å; Y512-L521 HydrophobicContact CG-CD1 4.15Å; Y512-L521 HydrophobicContact CG-CD2 3.86Å; Y512-L521 HydrophobicContact CG-CG 4.23Å; Y512-P561 WeakPolarHBondContact CE1-O 3.43Å; Y512-S563 CarbonylContact O-C 3.42Å; Y512-S563 WeakPolarHBondContact O-CA 3.49Å; Y512-S563 WeakPolarHBondContact O-CB 3.37Å; Y512-V564 HydrophobicContact CD1-CG2 4.48Å; Y512-V564 PolarHBondContact N-O 3.26Å; Y512-V564 PolarHBondContact O-N 2.96Å
513	D	98.4	Very high	97.2	Very high	29 Å²	29	37.9 Å²	37.9	16%	0.155	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	123.7	-178.1	-169.5	49.8	0	0	0	108.3	Y243 R246 P515 D516	Y243-D513 HydrophobicContact CD2-CB 3.84Å; R246-D513 IonicContact CZ-OD2 3.34Å; R246-D513 IonicContact NE-OD2 3.33Å; R246-D513 PolarHBondContact NE-OD2 3.19Å; R246-D513 IonicContact NH2-OD2 2.71Å; R246-D513 PolarHBondContact NH2-OD2 3.15Å; D513-P515 VanDerWaalsContact C-N 3.31Å; D513-P515 VanDerWaalsContact O-N 3.1Å; D513-D516 WeakPolarHBondContact O-CB 3.37Å; D513-D516 PolarHBondContact O-N 2.8Å
514	E	97.9	Very high	97.4	Very high	101 Å²	101	38 Å²	38	47%	0.472	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-45.4	-40.4	-172.1	171.5	178.4	-123.6	0	0	115.3	D516 G517 V562	E514-D516 PolarHBondContact O-N 3.36Å; E514-D516 VanDerWaalsContact O-N 3.16Å; E514-G517 WeakPolarHBondContact O-CA 3.33Å; E514-G517 PolarHBondContact O-N 2.94Å; E514-V562 HydrophobicContact CB-CG1 4.44Å; E514-V562 VanDerWaalsContact CB-O 3.25Å; E514-V562 WeakPolarHBondContact CB-O 3.21Å; E514-V562 PolarHBondContact N-O 3.29Å
515	P	98.3	Very high	97.6	Very high	86 Å²	86	37.3 Å²	37.3	56%	0.558	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-69	-6.8	178	-18.6	32.5	0	0	0	115.6	D513 G517	D513-P515 VanDerWaalsContact C-N 3.31Å; D513-P515 VanDerWaalsContact O-N 3.1Å; P515-G517 VanDerWaalsContact C-N 3.32Å
516	D	96.6	Very high	97.7	Very high	37 Å²	37	33.9 Å²	33.9	20%	0.198	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-81.1	-14.4	165.8	-66.8	-20.2	0	0	0	112	R214 R246 D513 E514	R214-D516 IonicContact CZ-OD2 3.78Å; R214-D516 IonicContact NH1-OD2 2.95Å; R214-D516 PolarHBondContact NH1-OD2 2.91Å; R214-D516 IonicContact NH2-OD2 3.3Å; R214-D516 PolarHBondContact NH2-OD2 2.79Å; R246-D516 IonicContact CZ-OD1 3.89Å; R246-D516 VanDerWaalsContact CZ-OD1 3.25Å; R246-D516 IonicContact NH1-OD1 3.9Å; R246-D516 PolarHBondContact NH1-OD1 3.2Å; R246-D516 IonicContact NH2-OD1 3.65Å; R246-D516 PolarHBondContact NH2-OD1 3.35Å; R246-D516 IonicContact NH2-OD2 3.72Å; R246-D516 PolarHBondContact NH2-OD2 3.16Å; D513-D516 WeakPolarHBondContact O-CB 3.37Å; D513-D516 PolarHBondContact O-N 2.8Å; E514-D516 PolarHBondContact O-N 3.36Å; E514-D516 VanDerWaalsContact O-N 3.16Å
517	G	96.6	Very high	97.7	Very high	29 Å²	29	33.7 Å²	33.7	30%	0.299	21%	0.21	S	C	.	.			trans	81.2	147.9	176.7	0	0	0	0	0	114.1	E514 P515 A519 S520	E514-G517 WeakPolarHBondContact O-CA 3.33Å; E514-G517 PolarHBondContact O-N 2.94Å; P515-G517 VanDerWaalsContact C-N 3.32Å; G517-A519 PolarHBondContact O-N 3.28Å; G517-A519 VanDerWaalsContact O-N 3.1Å; G517-S520 WeakPolarHBondContact O-CB 3.27Å; G517-S520 PolarHBondContact O-N 3.46Å; G517-S520 PolarHBondContact O-OG 3.29Å
518	V	95.5	Very high	97.7	Very high	42 Å²	42	33.6 Å²	33.6	26%	0.255	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.4	-179	-62	0	0	0	0	113.4	Y512 S520 L521 H560 H726	Y512-V518 PolarHBondContact OH-N 3.46Å; V518-S520 PolarHBondContact O-N 2.81Å; V518-L521 WeakPolarHBondContact O-CB 3.27Å; V518-L521 PolarHBondContact O-N 2.99Å; V518-L521 VanDerWaalsContact O-N 3.12Å; V518-H560 HydrophobicContact CG1-CB 3.91Å; V518-H726 PolarHBondContact O-CD2 2.72Å
519	A	95.3	Very high	97.7	Very high	75 Å²	75	33.8 Å²	33.8	62%	0.62	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-64.1	-13.8	174.9	0	0	0	0	0	113.9	G517 L521	G517-A519 PolarHBondContact O-N 3.28Å; G517-A519 VanDerWaalsContact O-N 3.1Å; A519-L521 VanDerWaalsContact C-N 3.31Å
520	S	95.8	Very high	97.7	Very high	69 Å²	69	33.3 Å²	33.3	48%	0.483	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-80.4	-9.3	174.1	89.3	0	0	0	0	113.7	G517 V518	G517-S520 WeakPolarHBondContact O-CB 3.27Å; G517-S520 PolarHBondContact O-N 3.46Å; G517-S520 PolarHBondContact O-OG 3.29Å; V518-S520 PolarHBondContact O-N 2.81Å
521	L	97.1	Very high	97.7	Very high	17 Å²	17	33.1 Å²	33.1	9%	0.089	21%	0.207	C	C	.	.	S	Bend	trans	-91.3	164.3	176.5	-65.6	176	0	0	0	111.2	Y512 V518 A519 L525 L526 Y529 H726	Y512-L521 HydrophobicContact CD1-CD1 4.26Å; Y512-L521 HydrophobicContact CD2-CD1 3.99Å; Y512-L521 HydrophobicContact CD2-CD2 3.55Å; Y512-L521 HydrophobicContact CD2-CG 3.69Å; Y512-L521 HydrophobicContact CE1-CD1 4.21Å; Y512-L521 HydrophobicContact CE2-CD1 3.96Å; Y512-L521 HydrophobicContact CE2-CD2 4.21Å; Y512-L521 HydrophobicContact CE2-CG 3.81Å; Y512-L521 HydrophobicContact CG-CD1 4.15Å; Y512-L521 HydrophobicContact CG-CD2 3.86Å; Y512-L521 HydrophobicContact CG-CG 4.23Å; V518-L521 WeakPolarHBondContact O-CB 3.27Å; V518-L521 PolarHBondContact O-N 2.99Å; V518-L521 VanDerWaalsContact O-N 3.12Å; A519-L521 VanDerWaalsContact C-N 3.31Å; L521-L525 HydrophobicContact CD2-CB 4.27Å; L521-L525 HydrophobicContact CD2-CD1 4.36Å; L521-L526 HydrophobicContact CD1-CB 4.42Å; L521-L526 HydrophobicContact CD1-CD1 4.29Å; L521-Y529 HydrophobicContact CD1-CD2 4.1Å; L521-Y529 HydrophobicContact CD1-CE2 4.41Å; L521-Y529 HydrophobicContact CD2-CD2 4.35Å; L521-Y529 HydrophobicContact CD2-CE2 3.82Å; L521-H726 PolarHBondContact O-NE2 2.94Å
522	S	97.7	Very high	97.8	Very high	53 Å²	53	31 Å²	31	37%	0.371	19%	0.194	S	C	.	.			trans	-86.1	156.4	158.8	65.3	0	0	0	0	110.4	T524 L525 L526	S522-T524 PolarHBondContact O-N 2.88Å; S522-L525 PolarHBondContact O-N 3.34Å; S522-L525 VanDerWaalsContact O-N 3.11Å; S522-L525 WeakPolarHBondContact OG-CG 3.31Å; S522-L525 PolarHBondContact OG-N 2.97Å; S522-L526 WeakPolarHBondContact O-CB 3.4Å; S522-L526 PolarHBondContact O-N 3.08Å
523	D	98.2	Very high	97.8	Very high	26 Å²	26	31 Å²	31	14%	0.139	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-31.6	173.5	-70.6	-58.3	0	0	0	112.3	T527 L721 Y723 N724 K725 H726	D523-T527 VanDerWaalsContact O-CB 3.31Å; D523-T527 WeakPolarHBondContact O-CB 3.48Å; D523-T527 PolarHBondContact O-N 3.05Å; D523-T527 PolarHBondContact O-OG1 2.88Å; D523-L721 HydrophobicContact CB-CD1 4.26Å; D523-Y723 WeakPolarHBondContact CB-O 3.31Å; D523-Y723 WeakPolarHBondContact OD1-CB 3.24Å; D523-N724 WeakPolarHBondContact OD1-CA 3.49Å; D523-N724 PolarHBondContact OD1-N 2.89Å; D523-K725 VanDerWaalsContact CG-N 3.33Å; D523-K725 PolarHBondContact OD1-N 3.3Å; D523-K725 VanDerWaalsContact OD1-N 3.16Å; D523-K725 PolarHBondContact OD2-N 3.17Å; D523-H726 PolarHBondContact OD1-N 3.02Å
524	T	98.3	Very high	97.8	Very high	15 Å²	15	31.1 Å²	31.1	9%	0.092	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-57.4	170.7	-55.2	0	0	0	0	111.1	S522 L526 T527 Y528 V719	S522-T524 PolarHBondContact O-N 2.88Å; T524-L526 PolarHBondContact O-N 3.02Å; T524-T527 PolarHBondContact O-N 3.3Å; T524-Y528 HydrophobicContact CG2-CD2 3.92Å; T524-Y528 HydrophobicContact CG2-CE2 3.84Å; T524-Y528 VanDerWaalsContact O-CD2 3.32Å; T524-Y528 WeakPolarHBondContact O-CD2 3.47Å; T524-Y528 PolarHBondContact O-N 3.43Å; T524-V719 HydrophobicContact CG2-CG1 4.35Å
525	L	98.3	Very high	97.8	Very high	44 Å²	44	27.5 Å²	27.5	23%	0.23	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-40.9	-178.3	-68.2	178.1	0	0	0	111.8	L521 S522 T527 Y528 Y529 L638	L521-L525 HydrophobicContact CD2-CB 4.27Å; L521-L525 HydrophobicContact CD2-CD1 4.36Å; S522-L525 PolarHBondContact O-N 3.34Å; S522-L525 VanDerWaalsContact O-N 3.11Å; S522-L525 WeakPolarHBondContact OG-CG 3.31Å; S522-L525 PolarHBondContact OG-N 2.97Å; L525-T527 VanDerWaalsContact C-N 3.32Å; L525-T527 PolarHBondContact O-N 2.85Å; L525-Y528 PolarHBondContact O-N 3.09Å; L525-Y529 HydrophobicContact CB-CD2 4.46Å; L525-Y529 HydrophobicContact CB-CE2 4.02Å; L525-Y529 HydrophobicContact CD2-CE1 4.37Å; L525-Y529 WeakPolarHBondContact O-CB 3.33Å; L525-Y529 WeakPolarHBondContact O-CD2 3.26Å; L525-Y529 PolarHBondContact O-N 3.26Å; L525-L638 HydrophobicContact CD2-CB 4.04Å; L525-L638 HydrophobicContact CD2-CD1 3.69Å; L525-L638 HydrophobicContact CD2-CG 4.49Å
526	L	98.4	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-43	175.6	-179.5	60.3	0	0	0	111.6	L521 S522 T524 H530 Y723 H726	L521-L526 HydrophobicContact CD1-CB 4.42Å; L521-L526 HydrophobicContact CD1-CD1 4.29Å; S522-L526 WeakPolarHBondContact O-CB 3.4Å; S522-L526 PolarHBondContact O-N 3.08Å; T524-L526 PolarHBondContact O-N 3.02Å; L526-H530 PolarHBondContact O-CD2 3.44Å; L526-H530 VanDerWaalsContact O-CD2 3.29Å; L526-H530 PolarHBondContact O-N 3.19Å; L526-Y723 HydrophobicContact CD2-CD1 3.92Å; L526-Y723 HydrophobicContact CD2-CD2 4.02Å; L526-Y723 HydrophobicContact CD2-CG 3.67Å; L526-Y723 HydrophobicContact CG-CD1 4.49Å; L526-Y723 HydrophobicContact CG-CD2 3.81Å; L526-Y723 HydrophobicContact CG-CE2 4.17Å; L526-Y723 HydrophobicContact CG-CG 4.01Å; L526-H726 HydrophobicContact CD2-CB 4.35Å
527	T	98.7	Very high	97.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-48	175.5	-59.5	0	0	0	0	111.7	D523 T524 L525 S531 V719 A722 V785	D523-T527 VanDerWaalsContact O-CB 3.31Å; D523-T527 WeakPolarHBondContact O-CB 3.48Å; D523-T527 PolarHBondContact O-N 3.05Å; D523-T527 PolarHBondContact O-OG1 2.88Å; T524-T527 PolarHBondContact O-N 3.3Å; L525-T527 VanDerWaalsContact C-N 3.32Å; L525-T527 PolarHBondContact O-N 2.85Å; T527-S531 PolarHBondContact O-N 2.9Å; T527-V719 HydrophobicContact CG2-CG1 4.41Å; T527-V719 HydrophobicContact CG2-CG2 4.21Å; T527-A722 HydrophobicContact CG2-CB 3.91Å; T527-A722 PolarHBondContact OG1-N 3Å; T527-A722 VanDerWaalsContact OG1-N 3.1Å; T527-V785 HydrophobicContact CG2-CG1 3.85Å; T527-V785 HydrophobicContact CG2-CG2 4.12Å
528	Y	98.8	Very high	97.8	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-46.3	178.1	-86.8	-74.6	0	0	0	112.5	T524 L525 H530 S531 F532 L638 M639 L717 V719 V789	T524-Y528 HydrophobicContact CG2-CD2 3.92Å; T524-Y528 HydrophobicContact CG2-CE2 3.84Å; T524-Y528 VanDerWaalsContact O-CD2 3.32Å; T524-Y528 WeakPolarHBondContact O-CD2 3.47Å; T524-Y528 PolarHBondContact O-N 3.43Å; L525-Y528 PolarHBondContact O-N 3.09Å; Y528-H530 VanDerWaalsContact C-N 3.32Å; Y528-H530 PolarHBondContact O-N 3.06Å; Y528-S531 WeakPolarHBondContact O-CB 3.27Å; Y528-S531 PolarHBondContact O-N 3.21Å; Y528-S531 VanDerWaalsContact O-N 3.14Å; Y528-F532 HydrophobicContact CD1-CE1 4.13Å; Y528-F532 AromaticContact CD1-CZ 3.86Å; Y528-F532 HydrophobicContact CD1-CZ 3.86Å; Y528-F532 HydrophobicContact CG-CZ 4.47Å; Y528-F532 WeakPolarHBondContact O-CB 3.45Å; Y528-F532 WeakPolarHBondContact O-CD2 3.42Å; Y528-F532 WeakPolarHBondContact O-CG 3.43Å; Y528-F532 PolarHBondContact O-N 3.5Å; Y528-L638 HydrophobicContact CD1-CD2 3.77Å; Y528-L638 HydrophobicContact CD2-CB 3.8Å; Y528-L638 HydrophobicContact CD2-CD1 4.36Å; Y528-L638 HydrophobicContact CD2-CD2 4.19Å; Y528-L638 HydrophobicContact CD2-CG 4.33Å; Y528-L638 HydrophobicContact CE1-CD2 3.81Å; Y528-L638 HydrophobicContact CE2-CB 3.81Å; Y528-L638 HydrophobicContact CE2-CD2 4.25Å; Y528-L638 HydrophobicContact CG-CB 4.35Å; Y528-L638 HydrophobicContact CG-CD1 4.2Å; Y528-L638 HydrophobicContact CG-CD2 3.95Å; Y528-L638 HydrophobicContact CG-CG 4.39Å; Y528-M639 PolarHBondContact OH-O 2.77Å; Y528-L717 HydrophobicContact CE1-CD2 3.98Å; Y528-L717 WeakPolarHBondContact OH-CG 3.41Å; Y528-L717 PolarHBondContact OH-O 3.23Å; Y528-V719 HydrophobicContact CD2-CB 4.48Å; Y528-V719 HydrophobicContact CD2-CG1 3.93Å; Y528-V719 HydrophobicContact CE1-CB 4.34Å; Y528-V719 HydrophobicContact CE1-CG2 4.45Å; Y528-V719 HydrophobicContact CE2-CB 3.78Å; Y528-V719 HydrophobicContact CE2-CG1 3.46Å; Y528-V719 VanDerWaalsContact CE2-CG1 3.46Å; Y528-V789 HydrophobicContact CD1-CG1 4.45Å; Y528-V789 HydrophobicContact CD1-CG2 4.02Å; Y528-V789 HydrophobicContact CE1-CG2 3.96Å
529	Y	98.7	Very high	97.8	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-68.8	-30.3	-175.8	-59.7	-18.9	0	0	0	112.8	L521 L525 F532 T533 V564 Y576 L638	L521-Y529 HydrophobicContact CD1-CD2 4.1Å; L521-Y529 HydrophobicContact CD1-CE2 4.41Å; L521-Y529 HydrophobicContact CD2-CD2 4.35Å; L521-Y529 HydrophobicContact CD2-CE2 3.82Å; L525-Y529 HydrophobicContact CB-CD2 4.46Å; L525-Y529 HydrophobicContact CB-CE2 4.02Å; L525-Y529 HydrophobicContact CD2-CE1 4.37Å; L525-Y529 WeakPolarHBondContact O-CB 3.33Å; L525-Y529 WeakPolarHBondContact O-CD2 3.26Å; L525-Y529 PolarHBondContact O-N 3.26Å; Y529-F532 AromaticContact CD1-CD2 3.97Å; Y529-F532 HydrophobicContact CD1-CD2 3.97Å; Y529-F532 HydrophobicContact CD1-CE2 4.19Å; Y529-T533 WeakPolarHBondContact O-CB 3.41Å; Y529-T533 PolarHBondContact O-N 2.88Å; Y529-T533 VanDerWaalsContact O-N 3.08Å; Y529-T533 PolarHBondContact O-OG1 2.92Å; Y529-V564 HydrophobicContact CD1-CG1 4.28Å; Y529-V564 HydrophobicContact CD1-CG2 4.21Å; Y529-V564 HydrophobicContact CD2-CB 4.4Å; Y529-V564 HydrophobicContact CD2-CG2 3.64Å; Y529-V564 HydrophobicContact CE1-CG1 3.87Å; Y529-V564 HydrophobicContact CE1-CG2 4.41Å; Y529-V564 HydrophobicContact CE2-CB 4.12Å; Y529-V564 HydrophobicContact CE2-CG1 4.31Å; Y529-V564 HydrophobicContact CE2-CG2 3.86Å; Y529-V564 HydrophobicContact CG-CG2 3.82Å; Y529-Y576 HydrophobicContact CE1-CD1 4.34Å; Y529-Y576 HydrophobicContact CE1-CE1 4.37Å; Y529-L638 HydrophobicContact CE1-CD1 3.9Å
530	H	98.7	Very high	97.8	Very high	16 Å²	16	24 Å²	24	7%	0.074	13%	0.132	C	C	.	.	H	α-helix	trans	-68.1	-43.4	167.9	-87.9	-64.1	0	0	0	112.7	L526 Y528 T533 R534 G559 H560 Y723	L526-H530 PolarHBondContact O-CD2 3.44Å; L526-H530 VanDerWaalsContact O-CD2 3.29Å; L526-H530 PolarHBondContact O-N 3.19Å; Y528-H530 VanDerWaalsContact C-N 3.32Å; Y528-H530 PolarHBondContact O-N 3.06Å; H530-T533 WeakPolarHBondContact O-CB 3.4Å; H530-T533 PolarHBondContact O-N 2.92Å; H530-R534 PolarHBondContact O-N 2.97Å; H530-G559 PolarHBondContact CE1-O 2.66Å; H530-H560 AromaticContact CE1-ND1 3.94Å; H530-H560 AromaticContact NE2-CE1 3.84Å; H530-H560 AromaticContact NE2-ND1 3.25Å; H530-H560 PolarHBondContact NE2-ND1 3.22Å; H530-Y723 HydrophobicContact CB-CE2 4.45Å; H530-Y723 AromaticContact CD2-CE2 3.43Å; H530-Y723 VanDerWaalsContact CD2-CE2 3.43Å; H530-Y723 WeakPolarHBondContact CD2-CE2 3.02Å; H530-Y723 AromaticContact CD2-CZ 3.5Å; H530-Y723 VanDerWaalsContact CD2-CZ 3.5Å; H530-Y723 PolarHBondContact CD2-OH 3.49Å; H530-Y723 AromaticContact NE2-CZ 3.7Å; H530-Y723 PolarHBondContact NE2-OH 3.34Å
531	S	98.7	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-47	175	-167.9	0	0	0	0	111.9	T527 Y528 T533 R534 M535 D786	T527-S531 PolarHBondContact O-N 2.9Å; Y528-S531 WeakPolarHBondContact O-CB 3.27Å; Y528-S531 PolarHBondContact O-N 3.21Å; Y528-S531 VanDerWaalsContact O-N 3.14Å; S531-T533 VanDerWaalsContact C-N 3.28Å; S531-T533 PolarHBondContact O-N 2.87Å; S531-R534 PolarHBondContact O-N 3.49Å; S531-R534 VanDerWaalsContact O-N 3.11Å; S531-M535 VanDerWaalsContact O-CG 3.32Å; S531-M535 WeakPolarHBondContact O-CG 3.49Å; S531-M535 PolarHBondContact O-N 2.95Å; S531-D786 WeakPolarHBondContact CA-OD1 3.37Å; S531-D786 VanDerWaalsContact CB-OD1 3.26Å; S531-D786 WeakPolarHBondContact CB-OD1 3.5Å; S531-D786 PolarHBondContact OG-OD1 2.94Å
532	F	98.8	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-35.7	175.1	-63.6	-24.7	0	0	0	113.2	Y528 Y529 M535 G536 Y576 V578 V597 L638 V789 W793	Y528-F532 HydrophobicContact CD1-CE1 4.13Å; Y528-F532 AromaticContact CD1-CZ 3.86Å; Y528-F532 HydrophobicContact CD1-CZ 3.86Å; Y528-F532 HydrophobicContact CG-CZ 4.47Å; Y528-F532 WeakPolarHBondContact O-CB 3.45Å; Y528-F532 WeakPolarHBondContact O-CD2 3.42Å; Y528-F532 WeakPolarHBondContact O-CG 3.43Å; Y528-F532 PolarHBondContact O-N 3.5Å; Y529-F532 AromaticContact CD1-CD2 3.97Å; Y529-F532 HydrophobicContact CD1-CD2 3.97Å; Y529-F532 HydrophobicContact CD1-CE2 4.19Å; F532-M535 HydrophobicContact CD1-SD 4.08Å; F532-G536 PolarHBondContact O-N 2.68Å; F532-Y576 AromaticContact CE2-CD2 3.71Å; F532-Y576 HydrophobicContact CE2-CD2 3.71Å; F532-Y576 HydrophobicContact CE2-CE2 4.29Å; F532-Y576 HydrophobicContact CE2-CG 4.24Å; F532-Y576 HydrophobicContact CZ-CD2 4.23Å; F532-V578 HydrophobicContact CB-CG2 3.85Å; F532-V578 HydrophobicContact CD2-CG2 4.07Å; F532-V578 HydrophobicContact CG-CG2 4.48Å; F532-V597 HydrophobicContact CB-CB 4.48Å; F532-V597 HydrophobicContact CB-CG1 3.94Å; F532-V597 HydrophobicContact CB-CG2 3.82Å; F532-V597 HydrophobicContact CD1-CB 4.16Å; F532-V597 HydrophobicContact CD1-CG1 4Å; F532-V597 HydrophobicContact CD1-CG2 3.9Å; F532-V597 HydrophobicContact CD2-CG2 3.72Å; F532-V597 HydrophobicContact CE1-CG2 4.32Å; F532-V597 HydrophobicContact CE2-CG2 4.18Å; F532-V597 HydrophobicContact CG-CB 4.27Å; F532-V597 HydrophobicContact CG-CG1 4.14Å; F532-V597 HydrophobicContact CG-CG2 3.57Å; F532-V597 HydrophobicContact CZ-CG2 4.45Å; F532-L638 HydrophobicContact CE2-CD1 4.2Å; F532-L638 HydrophobicContact CE2-CD2 4.35Å; F532-L638 HydrophobicContact CZ-CD2 3.91Å; F532-V789 HydrophobicContact CD1-CG1 3.9Å; F532-V789 HydrophobicContact CE1-CG1 3.58Å; F532-W793 HydrophobicContact CE1-CB 4.24Å; F532-W793 AromaticContact CE1-CD2 3.74Å; F532-W793 HydrophobicContact CE1-CD2 3.74Å; F532-W793 HydrophobicContact CE1-CE3 4.07Å; F532-W793 AromaticContact CE1-CG 3.79Å; F532-W793 HydrophobicContact CE1-CG 3.79Å; F532-W793 AromaticContact CZ-CD2 3.84Å; F532-W793 HydrophobicContact CZ-CD2 3.84Å; F532-W793 AromaticContact CZ-CE2 3.91Å; F532-W793 HydrophobicContact CZ-CE3 4.04Å; F532-W793 HydrophobicContact CZ-CG 4.32Å; F532-W793 HydrophobicContact CZ-CH2 4.43Å; F532-W793 HydrophobicContact CZ-CZ2 4.22Å; F532-W793 HydrophobicContact CZ-CZ3 4.33Å
533	T	98.5	Very high	97	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-53.7	171.5	-65.5	0	0	0	0	110.4	Y529 H530 S531 M535 G536 L537 P557 V578 H580	Y529-T533 WeakPolarHBondContact O-CB 3.41Å; Y529-T533 PolarHBondContact O-N 2.88Å; Y529-T533 VanDerWaalsContact O-N 3.08Å; Y529-T533 PolarHBondContact O-OG1 2.92Å; H530-T533 WeakPolarHBondContact O-CB 3.4Å; H530-T533 PolarHBondContact O-N 2.92Å; S531-T533 VanDerWaalsContact C-N 3.28Å; S531-T533 PolarHBondContact O-N 2.87Å; T533-M535 PolarHBondContact O-N 2.83Å; T533-G536 PolarHBondContact O-N 2.78Å; T533-G536 VanDerWaalsContact O-N 3.13Å; T533-L537 PolarHBondContact O-N 3.23Å; T533-P557 HydrophobicContact CG2-CB 4.45Å; T533-V578 WeakPolarHBondContact OG1-CG1 3.26Å; T533-H580 HydrophobicContact CG2-CB 3.74Å; T533-H580 VanDerWaalsContact CG2-CG 3.48Å
534	R	98.4	Very high	96.4	Very high	32 Å²	32	26 Å²	26	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-41.4	180	-68.7	-172.5	-63	-107.6	6.9	113.1	H530 S531 G536 L537 V538 P557 E782 D786	H530-R534 PolarHBondContact O-N 2.97Å; S531-R534 PolarHBondContact O-N 3.49Å; S531-R534 VanDerWaalsContact O-N 3.11Å; R534-G536 PolarHBondContact O-N 3.09Å; R534-L537 PolarHBondContact O-N 3.27Å; R534-L537 VanDerWaalsContact O-N 3.09Å; R534-V538 WeakPolarHBondContact O-CG2 3.42Å; R534-V538 PolarHBondContact O-N 3.46Å; R534-P557 HydrophobicContact CG-CG 4.48Å; R534-E782 IonicContact CZ-OE1 3.62Å; R534-E782 VanDerWaalsContact NH1-CD 3.32Å; R534-E782 IonicContact NH1-OE1 2.75Å; R534-E782 PolarHBondContact NH1-OE1 3.05Å; R534-E782 IonicContact NH1-OE2 3.89Å; R534-E782 IonicContact NH2-OE1 3.64Å; R534-D786 WeakPolarHBondContact CD-OD2 3.5Å; R534-D786 IonicContact CZ-OD1 3.16Å; R534-D786 IonicContact CZ-OD2 3.35Å; R534-D786 IonicContact NE-OD1 2.69Å; R534-D786 PolarHBondContact NE-OD1 2.92Å; R534-D786 IonicContact NE-OD2 2.88Å; R534-D786 PolarHBondContact NE-OD2 2.83Å; R534-D786 IonicContact NH2-OD1 3.82Å; R534-D786 PolarHBondContact NH2-OD1 2.83Å; R534-D786 IonicContact NH2-OD2 2.69Å
535	M	97.9	Very high	95.3	Very high	25 Å²	25	34.4 Å²	34.4	12%	0.123	19%	0.192	C	C	.	.	H	α-helix	trans	-55.3	-38.8	173.8	-71.2	174.3	70.9	0	0	112.3	S531 F532 T533 R539 V789 W793 A795	S531-M535 VanDerWaalsContact O-CG 3.32Å; S531-M535 WeakPolarHBondContact O-CG 3.49Å; S531-M535 PolarHBondContact O-N 2.95Å; F532-M535 HydrophobicContact CD1-SD 4.08Å; T533-M535 PolarHBondContact O-N 2.83Å; M535-R539 PolarHBondContact O-N 2.86Å; M535-V789 HydrophobicContact SD-CB 4.4Å; M535-V789 HydrophobicContact SD-CG1 3.62Å; M535-W793 HydrophobicContact CE-CB 3.94Å; M535-A795 HydrophobicContact CB-CB 4.36Å
536	G	97.8	Very high	94	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-43.9	174.4	0	0	0	0	0	113.6	F532 T533 R534 V538 R539 A540 T595 I798	F532-G536 PolarHBondContact O-N 2.68Å; T533-G536 PolarHBondContact O-N 2.78Å; T533-G536 VanDerWaalsContact O-N 3.13Å; R534-G536 PolarHBondContact O-N 3.09Å; G536-V538 VanDerWaalsContact C-N 3.34Å; G536-V538 PolarHBondContact O-N 3.19Å; G536-R539 WeakPolarHBondContact O-CB 3.44Å; G536-R539 PolarHBondContact O-N 3.13Å; G536-A540 PolarHBondContact O-N 2.91Å; G536-T595 VanDerWaalsContact CA-CG2 3.43Å; G536-I798 VanDerWaalsContact C-CD1 3.42Å; G536-I798 VanDerWaalsContact O-CD1 3.31Å; G536-I798 WeakPolarHBondContact O-CD1 3.28Å
537	L	97.4	Very high	92.6	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-37.6	177	-58.5	-174	0	0	0	112.1	T533 R534 A540 A541 Y555 P557 A582 M593	T533-L537 PolarHBondContact O-N 3.23Å; R534-L537 PolarHBondContact O-N 3.27Å; R534-L537 VanDerWaalsContact O-N 3.09Å; L537-A540 PolarHBondContact O-N 3.47Å; L537-A541 PolarHBondContact O-N 2.92Å; L537-Y555 HydrophobicContact CD2-CD2 4.4Å; L537-Y555 HydrophobicContact CD2-CG 4.04Å; L537-P557 HydrophobicContact CD1-CB 3.82Å; L537-P557 HydrophobicContact CD1-CG 4.34Å; L537-A582 HydrophobicContact CD1-CB 3.97Å; L537-A582 HydrophobicContact CD2-CB 3.8Å; L537-M593 HydrophobicContact CD2-CE 3.8Å; L537-M593 HydrophobicContact CD2-SD 4Å
538	V	96.1	Very high	91.4	Very high	100 Å²	100	45 Å²	45	61%	0.606	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-42.5	172.1	171.9	0	0	0	0	110.9	R534 G536 A541 A542	R534-V538 WeakPolarHBondContact O-CG2 3.42Å; R534-V538 PolarHBondContact O-N 3.46Å; G536-V538 VanDerWaalsContact C-N 3.34Å; G536-V538 PolarHBondContact O-N 3.19Å; V538-A541 PolarHBondContact O-N 3.06Å; V538-A542 WeakPolarHBondContact O-CB 3.5Å; V538-A542 PolarHBondContact O-N 3.11Å
539	R	95.9	Very high	90.3	Very high	82 Å²	82	51.1 Å²	51.1	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-45.9	173.3	-177.4	-167	171.4	95.1	-4.5	111.9	M535 G536 A541 A542 S543 A795 A796 D797	M535-R539 PolarHBondContact O-N 2.86Å; G536-R539 WeakPolarHBondContact O-CB 3.44Å; G536-R539 PolarHBondContact O-N 3.13Å; R539-A541 VanDerWaalsContact C-N 3.33Å; R539-A541 PolarHBondContact O-N 2.96Å; R539-A542 CarbonylContact O-C 3.53Å; R539-A542 PolarHBondContact O-N 3Å; R539-S543 WeakPolarHBondContact O-CB 3.44Å; R539-S543 PolarHBondContact O-N 3.24Å; R539-S543 PolarHBondContact O-OG 3.32Å; R539-A795 HydrophobicContact CB-CB 3.9Å; R539-A795 WeakPolarHBondContact CD-O 3.37Å; R539-A795 HydrophobicContact CG-CB 4.42Å; R539-A795 PolarHBondContact NH1-O 2.9Å; R539-A796 PolarHBondContact NH1-O 3.29Å; R539-A796 PolarHBondContact NH2-O 2.65Å; R539-D797 IonicContact CZ-OD1 2.68Å; R539-D797 IonicContact NE-OD1 3.61Å; R539-D797 IonicContact NH2-OD1 2.99Å; R539-D797 PolarHBondContact NH2-OD1 2.83Å
540	A	95.1	Very high	89.6	Confident	2 Å²	2	54 Å²	54	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-56.8	-47.6	178.5	0	0	0	0	0	111.2	G536 L537 A542 S543 C553 Y555 I798	G536-A540 PolarHBondContact O-N 2.91Å; L537-A540 PolarHBondContact O-N 3.47Å; A540-A542 PolarHBondContact O-N 2.91Å; A540-S543 PolarHBondContact O-N 3.05Å; A540-C553 CarbonylContact C-O 3.52Å; A540-C553 WeakPolarHBondContact O-CB 3.47Å; A540-Y555 HydrophobicContact CB-CD2 4.24Å; A540-Y555 HydrophobicContact CB-CE2 4.17Å; A540-I798 HydrophobicContact CB-CG2 4.18Å
541	A	93.7	Very high	88.9	Confident	42 Å²	42	56.7 Å²	56.7	35%	0.347	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-38.9	176.7	0	0	0	0	0	112.9	L537 V538 R539 C553 R554	L537-A541 PolarHBondContact O-N 2.92Å; V538-A541 PolarHBondContact O-N 3.06Å; R539-A541 VanDerWaalsContact C-N 3.33Å; R539-A541 PolarHBondContact O-N 2.96Å; A541-C553 VanDerWaalsContact CA-O 3.26Å; A541-C553 WeakPolarHBondContact CA-O 3.45Å; A541-C553 PolarHBondContact N-O 3.29Å; A541-R554 HydrophobicContact CB-CG 4.3Å
542	A	91.6	Very high	88.6	Confident	82 Å²	82	57.4 Å²	57.4	68%	0.678	34%	0.337	S	S	*	.	H	α-helix	trans	-76.3	-16.8	178.1	0	0	0	0	0	114.6	V538 R539 A540 L544	V538-A542 WeakPolarHBondContact O-CB 3.5Å; V538-A542 PolarHBondContact O-N 3.11Å; R539-A542 CarbonylContact O-C 3.53Å; R539-A542 PolarHBondContact O-N 3Å; A540-A542 PolarHBondContact O-N 2.91Å; A542-L544 VanDerWaalsContact C-N 3.32Å
543	S	89.3	Confident	88.4	Confident	47 Å²	47	57.4 Å²	57.4	33%	0.329	34%	0.337	S	S	.	.	H	α-helix	trans	-80.6	-14.2	179.6	-56.4	0	0	0	0	113.2	R539 A540 Q545	R539-S543 WeakPolarHBondContact O-CB 3.44Å; R539-S543 PolarHBondContact O-N 3.24Å; R539-S543 PolarHBondContact O-OG 3.32Å; A540-S543 PolarHBondContact O-N 3.05Å; S543-Q545 PolarHBondContact O-N 3.08Å
544	L	86.4	Confident	88.2	Confident	37 Å²	37	62.2 Å²	62.2	19%	0.194	35%	0.354	C	S	.	.			trans	-83.5	100.5	-179.7	-176.7	62.8	0	0	0	110.5	A542 D550 S552 C553 P807 V808	A542-L544 VanDerWaalsContact C-N 3.32Å; L544-D550 HydrophobicContact CD2-CB 3.88Å; L544-S552 WeakPolarHBondContact CD2-OG 3.47Å; L544-C553 HydrophobicContact CB-CB 4.02Å; L544-C553 HydrophobicContact CD2-CB 3.97Å; L544-P807 HydrophobicContact CD1-CG 4.03Å; L544-V808 HydrophobicContact CD1-CG1 4.47Å
545	Q	75.1	Confident	88.1	Confident	190 Å²	190	61.9 Å²	61.9	89%	0.888	35%	0.353	S	S	*	.			trans	-79.9	119.4	174.6	-61.8	-178.3	3.1	0	0	110.1	S543	S543-Q545 PolarHBondContact O-N 3.08Å
546	G	70.6	Confident	88	Confident	68 Å²	68	66.6 Å²	66.6	70%	0.701	37%	0.373	S	S	*	.	S	Bend	trans	157.5	-142.7	177.2	0	0	0	0	0	114.7
547	N	68.5	Low	88	Confident	103 Å²	103	68.8 Å²	68.8	55%	0.551	39%	0.387	S	S	*	.			trans	-63.2	125.5	-179.1	-179.8	-2.4	0	0	0	111	N549 D550	N547-N549 PolarHBondContact O-N 3.07Å; N547-N549 WeakPolarHBondContact OD1-CB 3.27Å; N547-N549 PolarHBondContact OD1-N 3.4Å; N547-D550 WeakPolarHBondContact O-CB 3.48Å; N547-D550 PolarHBondContact O-N 2.73Å
548	P	72.7	Confident	88	Confident	98 Å²	98	72 Å²	72	64%	0.636	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.9	175.5	-27.3	35.7	0	0	0	114.3	D550 R554	P548-D550 VanDerWaalsContact C-N 3.32Å; P548-R554 PolarHBondContact O-NH2 3.14Å
549	N	76.9	Confident	88	Confident	128 Å²	128	70.2 Å²	70.2	68%	0.684	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	0.9	178	-62.3	-19.5	0	0	0	113.6	N547 H551	N547-N549 PolarHBondContact O-N 3.07Å; N547-N549 WeakPolarHBondContact OD1-CB 3.27Å; N547-N549 PolarHBondContact OD1-N 3.4Å; N549-H551 PolarHBondContact O-CE1 2.89Å; N549-H551 PolarHBondContact O-ND1 3.19Å
550	D	82.9	Confident	88	Confident	65 Å²	65	69.5 Å²	69.5	35%	0.348	41%	0.405	S	S	.	.			trans	-71.3	134.3	169.6	-161.6	-31	0	0	0	109.8	L544 N547 P548 S552 R554	L544-D550 HydrophobicContact CD2-CB 3.88Å; N547-D550 WeakPolarHBondContact O-CB 3.48Å; N547-D550 PolarHBondContact O-N 2.73Å; P548-D550 VanDerWaalsContact C-N 3.32Å; D550-S552 WeakPolarHBondContact OD1-CB 3.16Å; D550-S552 PolarHBondContact OD1-N 2.77Å; D550-S552 PolarHBondContact OD1-OG 3.05Å; D550-R554 PolarHBondContact O-NE 2.95Å
551	H	85.4	Confident	88.1	Confident	74 Å²	74	69.6 Å²	69.6	34%	0.343	41%	0.405	S	S	.	.			trans	-122.6	4.9	-176.6	-63.8	0.4	0	0	0	112	N549 C553 R554 A586	N549-H551 PolarHBondContact O-CE1 2.89Å; N549-H551 PolarHBondContact O-ND1 3.19Å; H551-C553 PolarHBondContact O-N 2.87Å; H551-R554 HydrophobicContact CB-CB 4.41Å; H551-R554 HydrophobicContact CB-CG 4.48Å; H551-R554 WeakPolarHBondContact ND1-CD 3.48Å; H551-R554 PolarHBondContact ND1-NE 3.48Å; H551-R554 PolarHBondContact O-N 2.84Å; H551-A586 HydrophobicContact CB-CB 4.15Å
552	S	91.6	Very high	88.3	Confident	15 Å²	15	68.2 Å²	68.2	11%	0.105	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.7	-178.8	56.9	0	0	0	0	113.9	L544 D550 N584 C806	L544-S552 WeakPolarHBondContact CD2-OG 3.47Å; D550-S552 WeakPolarHBondContact OD1-CB 3.16Å; D550-S552 PolarHBondContact OD1-N 2.77Å; D550-S552 PolarHBondContact OD1-OG 3.05Å; S552-N584 PolarHBondContact O-ND2 2.71Å; S552-C806 VanDerWaalsContact O-CA 3.27Å; S552-C806 WeakPolarHBondContact O-CA 3.4Å; S552-C806 WeakPolarHBondContact O-CB 3.09Å; S552-C806 PolarHBondContact O-N 2.81Å
553	C	94.1	Very high	88.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	16.8	173	-59.7	0	0	0	0	113.8	A540 A541 L544 H551 Y555 C806	A540-C553 CarbonylContact C-O 3.52Å; A540-C553 WeakPolarHBondContact O-CB 3.47Å; A541-C553 VanDerWaalsContact CA-O 3.26Å; A541-C553 WeakPolarHBondContact CA-O 3.45Å; A541-C553 PolarHBondContact N-O 3.29Å; L544-C553 HydrophobicContact CB-CB 4.02Å; L544-C553 HydrophobicContact CD2-CB 3.97Å; H551-C553 PolarHBondContact O-N 2.87Å; C553-Y555 VanDerWaalsContact O-CD2 3.27Å; C553-Y555 WeakPolarHBondContact O-CD2 3.04Å; C553-Y555 WeakPolarHBondContact O-CE2 3.4Å; C553-C806 HydrophobicContact CB-CB 3.9Å; C553-C806 WeakPolarHBondContact CB-SG 3.26Å; C553-C806 WeakPolarHBondContact SG-CA 3.44Å; C553-C806 WeakPolarHBondContact SG-CB 3.45Å; C553-C806 CovalentContact SG-SG 2.04Å; C553-C806 PolarHBondContact SG-SG 3.39Å
554	R	94.7	Very high	89.1	Confident	106 Å²	106	62.4 Å²	62.4	40%	0.4	35%	0.347	S	S	.	.			trans	-96.4	140	173.6	-63.5	-173.3	-173.3	-153.4	2	110.2	A541 P548 D550 H551 L585	A541-R554 HydrophobicContact CB-CG 4.3Å; P548-R554 PolarHBondContact O-NH2 3.14Å; D550-R554 PolarHBondContact O-NE 2.95Å; H551-R554 HydrophobicContact CB-CB 4.41Å; H551-R554 HydrophobicContact CB-CG 4.48Å; H551-R554 WeakPolarHBondContact ND1-CD 3.48Å; H551-R554 PolarHBondContact ND1-NE 3.48Å; H551-R554 PolarHBondContact O-N 2.84Å; R554-L585 HydrophobicContact CB-CB 4.28Å; R554-L585 HydrophobicContact CB-CD1 4Å; R554-L585 HydrophobicContact CB-CG 4.38Å; R554-L585 PolarHBondContact O-N 3.17Å
555	Y	96.6	Very high	89.7	Confident	24 Å²	24	61.5 Å²	61.5	9%	0.094	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.1	-168.9	-71.4	-87.3	0	0	0	112.7	L537 A540 C553 A582 T583 N584 E591 M593 T804 C806 M809	L537-Y555 HydrophobicContact CD2-CD2 4.4Å; L537-Y555 HydrophobicContact CD2-CG 4.04Å; A540-Y555 HydrophobicContact CB-CD2 4.24Å; A540-Y555 HydrophobicContact CB-CE2 4.17Å; C553-Y555 VanDerWaalsContact O-CD2 3.27Å; C553-Y555 WeakPolarHBondContact O-CD2 3.04Å; C553-Y555 WeakPolarHBondContact O-CE2 3.4Å; Y555-A582 HydrophobicContact CD1-CB 3.86Å; Y555-A582 HydrophobicContact CG-CB 4.34Å; Y555-T583 WeakPolarHBondContact CA-O 3.39Å; Y555-N584 HydrophobicContact CD1-CB 4.19Å; Y555-N584 HydrophobicContact CE1-CB 3.75Å; Y555-N584 PolarHBondContact OH-ND2 3.5Å; Y555-E591 HydrophobicContact CE1-CB 4.3Å; Y555-E591 HydrophobicContact CE1-CG 4.38Å; Y555-E591 VanDerWaalsContact CE1-OE2 3.31Å; Y555-E591 WeakPolarHBondContact CE1-OE2 3.27Å; Y555-E591 PolarHBondContact OH-OE2 3.11Å; Y555-M593 HydrophobicContact CD1-SD 3.9Å; Y555-M593 HydrophobicContact CD2-CE 4.34Å; Y555-M593 HydrophobicContact CE1-CE 4.29Å; Y555-M593 HydrophobicContact CE1-SD 3.66Å; Y555-M593 HydrophobicContact CE2-CE 4.07Å; Y555-M593 HydrophobicContact CE2-SD 4.49Å; Y555-M593 HydrophobicContact CG-SD 4.41Å; Y555-T804 PolarHBondContact OH-OG1 2.83Å; Y555-C806 HydrophobicContact CE2-CB 4.41Å; Y555-C806 WeakPolarHBondContact OH-CB 3.47Å; Y555-M809 HydrophobicContact CE2-CE 4.36Å; Y555-M809 WeakPolarHBondContact OH-CE 3.42Å
556	F	96.3	Very high	90.9	Very high	124 Å²	124	53 Å²	53	54%	0.544	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126	166.2	-173.8	-90.9	0	0	0	109.6	M558 A582 T583 L585	F556-M558 HydrophobicContact CD1-SD 3.81Å; F556-M558 HydrophobicContact CE1-SD 4.15Å; F556-A582 CarbonylContact O-C 3.5Å; F556-A582 VanDerWaalsContact O-CA 3.27Å; F556-A582 WeakPolarHBondContact O-CA 3.31Å; F556-T583 PolarHBondContact N-O 2.82Å; F556-T583 PolarHBondContact O-N 3.46Å; F556-L585 HydrophobicContact CB-CD2 4.11Å
557	P	96.8	Very high	92.2	Very high	46 Å²	46	50.5 Å²	50.5	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143	-178.4	28.8	-34.4	0	0	0	111.4	T533 R534 L537	T533-P557 HydrophobicContact CG2-CB 4.45Å; R534-P557 HydrophobicContact CG-CG 4.48Å; L537-P557 HydrophobicContact CD1-CB 3.82Å; L537-P557 HydrophobicContact CD1-CG 4.34Å
558	M	97	Very high	93.6	Very high	78 Å²	78	46.1 Å²	46.1	38%	0.384	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.5	-176.1	-67.2	-63.3	-62.4	0	0	111.6	F556 H581 T583 L590	F556-M558 HydrophobicContact CD1-SD 3.81Å; F556-M558 HydrophobicContact CE1-SD 4.15Å; M558-H581 HydrophobicContact CB-CB 4.06Å; M558-H581 PolarHBondContact N-O 3.16Å; M558-T583 VanDerWaalsContact CG-OG1 3.3Å; M558-T583 WeakPolarHBondContact CG-OG1 3.44Å; M558-L590 HydrophobicContact CB-CD1 3.94Å; M558-L590 HydrophobicContact CG-CD1 3.73Å
559	G	95.9	Very high	94.9	Very high	63 Å²	63	44.6 Å²	44.6	65%	0.649	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	67.9	-137.9	174.8	0	0	0	0	0	113.4	H530	H530-G559 PolarHBondContact CE1-O 2.66Å
560	H	97.2	Very high	95.8	Very high	68 Å²	68	43.5 Å²	43.5	32%	0.315	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	166.8	177.5	-71.8	-93.9	0	0	0	110.4	V518 H530	V518-H560 HydrophobicContact CG1-CB 3.91Å; H530-H560 AromaticContact CE1-ND1 3.94Å; H530-H560 AromaticContact NE2-CE1 3.84Å; H530-H560 AromaticContact NE2-ND1 3.25Å; H530-H560 PolarHBondContact NE2-ND1 3.22Å
561	P	97.6	Very high	96.6	Very high	3 Å²	3	43 Å²	43	2%	0.019	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	140.1	165.9	-26.6	35.6	0	0	0	111.7	Y512 V564 V578	Y512-P561 WeakPolarHBondContact CE1-O 3.43Å; P561-V564 HydrophobicContact CB-CG2 4.46Å; P561-V578 HydrophobicContact CB-CG1 4.02Å; P561-V578 HydrophobicContact CG-CG1 4.33Å
562	V	98.1	Very high	97.1	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-40.2	-178	178.6	0	0	0	0	111.1	E514 K579 H581	E514-V562 HydrophobicContact CB-CG1 4.44Å; E514-V562 VanDerWaalsContact CB-O 3.25Å; E514-V562 WeakPolarHBondContact CB-O 3.21Å; E514-V562 PolarHBondContact N-O 3.29Å; V562-K579 HydrophobicContact CB-CB 4.47Å; V562-K579 HydrophobicContact CB-CD 4.33Å; V562-K579 HydrophobicContact CB-CG 4.23Å; V562-K579 HydrophobicContact CG1-CD 4.16Å; V562-K579 PolarHBondContact N-O 3.14Å; V562-H581 WeakPolarHBondContact CG2-CD2 3.46Å; V562-H581 WeakPolarHBondContact CG2-NE2 3.26Å
563	S	98.7	Very high	97.4	Very high	7 Å²	7	47.2 Å²	47.2	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	146.9	174.9	65.3	0	0	0	0	110.7	Y512 K579	Y512-S563 CarbonylContact O-C 3.42Å; Y512-S563 WeakPolarHBondContact O-CA 3.49Å; Y512-S563 WeakPolarHBondContact O-CB 3.37Å; S563-K579 PolarHBondContact N-O 3.31Å; S563-K579 PolarHBondContact O-N 3.43Å; S563-K579 VanDerWaalsContact OG-CB 3.32Å; S563-K579 WeakPolarHBondContact OG-CB 3.19Å
564	V	98.9	Very high	97.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.1	173.5	-176.9	0	0	0	0	110.6	N510 V511 Y512 Y529 P561 Y576 L577 V578	N510-V564 CarbonylContact C-O 3.32Å; V511-V564 HydrophobicContact CG2-CB 4.1Å; V511-V564 HydrophobicContact CG2-CG1 3.86Å; V511-V564 WeakPolarHBondContact CG2-O 3.43Å; V511-V564 PolarHBondContact N-O 3.43Å; Y512-V564 HydrophobicContact CD1-CG2 4.48Å; Y512-V564 PolarHBondContact N-O 3.26Å; Y512-V564 PolarHBondContact O-N 2.96Å; Y529-V564 HydrophobicContact CD1-CG1 4.28Å; Y529-V564 HydrophobicContact CD1-CG2 4.21Å; Y529-V564 HydrophobicContact CD2-CB 4.4Å; Y529-V564 HydrophobicContact CD2-CG2 3.64Å; Y529-V564 HydrophobicContact CE1-CG1 3.87Å; Y529-V564 HydrophobicContact CE1-CG2 4.41Å; Y529-V564 HydrophobicContact CE2-CB 4.12Å; Y529-V564 HydrophobicContact CE2-CG1 4.31Å; Y529-V564 HydrophobicContact CE2-CG2 3.86Å; Y529-V564 HydrophobicContact CG-CG2 3.82Å; P561-V564 HydrophobicContact CB-CG2 4.46Å; V564-Y576 HydrophobicContact CG1-CD1 3.76Å; V564-Y576 HydrophobicContact CG1-CG 4.39Å; V564-L577 VanDerWaalsContact CA-O 3.31Å; V564-L577 WeakPolarHBondContact CA-O 3.31Å; V564-V578 HydrophobicContact CG1-CG2 4.27Å; V564-V578 HydrophobicContact CG2-CB 4.48Å; V564-V578 HydrophobicContact CG2-CG1 4.15Å; V564-V578 HydrophobicContact CG2-CG2 4.15Å
565	H	98.9	Very high	97.8	Very high	17 Å²	17	44.4 Å²	44.4	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.2	174.4	-58	89.8	0	0	0	110.9	E509 N510 Y576 L577 E594 S819	E509-H565 CarbonylContact O-C 3.49Å; E509-H565 VanDerWaalsContact O-CA 3.26Å; E509-H565 WeakPolarHBondContact O-CA 3.32Å; N510-H565 VanDerWaalsContact CA-CD2 3.47Å; N510-H565 WeakPolarHBondContact CA-CD2 3.42Å; N510-H565 PolarHBondContact ND2-NE2 2.96Å; H565-Y576 CarbonylContact O-C 3.53Å; H565-Y576 WeakPolarHBondContact O-CA 3.48Å; H565-L577 HydrophobicContact CB-CB 4.23Å; H565-L577 HydrophobicContact CB-CD1 4.49Å; H565-L577 PolarHBondContact N-O 3.05Å; H565-L577 PolarHBondContact O-N 3.15Å; H565-E594 IonicContact ND1-OE1 2.71Å; H565-S819 PolarHBondContact CE1-OG 3.39Å; H565-S819 WeakPolarHBondContact ND1-CB 3.4Å
566	L	98.8	Very high	97.9	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.063	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	133.6	154.6	-64.1	166.5	0	0	0	108	W508 E509 V511 F568 F573 Y576 I635	W508-L566 WeakPolarHBondContact CA-O 3.27Å; E509-L566 PolarHBondContact N-O 3.47Å; E509-L566 VanDerWaalsContact N-O 3.09Å; E509-L566 PolarHBondContact O-N 2.86Å; V511-L566 HydrophobicContact CG1-CD1 3.63Å; V511-L566 HydrophobicContact CG1-CG 3.7Å; L566-F568 HydrophobicContact CB-CD2 4.38Å; L566-F568 HydrophobicContact CB-CE2 3.61Å; L566-F568 HydrophobicContact CB-CZ 4.23Å; L566-F568 HydrophobicContact CD1-CE2 4.26Å; L566-F568 HydrophobicContact CD1-CZ 4.31Å; L566-F573 HydrophobicContact CB-CE2 4.37Å; L566-F573 HydrophobicContact CD2-CD2 4.38Å; L566-F573 HydrophobicContact CD2-CE2 3.52Å; L566-F573 HydrophobicContact CD2-CZ 4.08Å; L566-Y576 HydrophobicContact CD2-CD1 3.97Å; L566-Y576 HydrophobicContact CD2-CE1 3.41Å; L566-Y576 VanDerWaalsContact CD2-CE1 3.41Å; L566-Y576 HydrophobicContact CG-CE1 4.38Å; L566-I635 HydrophobicContact CD1-CD1 4.4Å
567	Y	98.8	Very high	98.1	Very high	16 Å²	16	37.8 Å²	37.8	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.3	173.1	173.7	-138.4	0	0	0	110.3	W508 H569 Q574 G575 L577 W596 W817	W508-Y567 AromaticContact CD1-CD2 3.74Å; W508-Y567 HydrophobicContact CD2-CD2 4.48Å; W508-Y567 AromaticContact CE2-CD2 3.86Å; W508-Y567 AromaticContact CE2-CE2 3.93Å; W508-Y567 HydrophobicContact CG-CD2 4.45Å; W508-Y567 HydrophobicContact CZ2-CD2 4.45Å; W508-Y567 HydrophobicContact CZ2-CE2 4.05Å; W508-Y567 AromaticContact NE1-CD2 3.33Å; W508-Y567 VanDerWaalsContact NE1-CD2 3.33Å; W508-Y567 AromaticContact NE1-CE2 3.76Å; Y567-H569 HydrophobicContact CE2-CB 4.48Å; Y567-Q574 HydrophobicContact CD1-CB 3.42Å; Y567-Q574 VanDerWaalsContact CD1-CB 3.42Å; Y567-Q574 HydrophobicContact CD1-CG 3.97Å; Y567-Q574 HydrophobicContact CE1-CB 3.72Å; Y567-Q574 HydrophobicContact CE1-CG 3.85Å; Y567-Q574 HydrophobicContact CG-CB 4.05Å; Y567-Q574 HydrophobicContact CG-CG 4.46Å; Y567-Q574 PolarHBondContact O-N 2.91Å; Y567-G575 PolarHBondContact N-O 3.23Å; Y567-L577 HydrophobicContact CD1-CD2 4.18Å; Y567-L577 HydrophobicContact CG-CD1 4.47Å; Y567-L577 HydrophobicContact CG-CD2 4.35Å; Y567-W596 AromaticContact CD1-NE1 4Å; Y567-W596 HydrophobicContact CE1-CZ2 4.2Å; Y567-W817 HydrophobicContact CD1-CB 4.32Å; Y567-W817 HydrophobicContact CE1-CB 3.58Å
568	F	98.7	Very high	98.1	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.044	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148	174.3	-55.9	-101	0	0	0	110	S506 Y507 L566 Q572 F573 I635	S506-F568 CarbonylContact C-O 3.21Å; S506-F568 VanDerWaalsContact CA-O 3.26Å; S506-F568 WeakPolarHBondContact CA-O 3.34Å; Y507-F568 AromaticContact CD1-CD2 3.85Å; Y507-F568 HydrophobicContact CD1-CD2 3.85Å; Y507-F568 HydrophobicContact CD1-CE2 4.22Å; Y507-F568 PolarHBondContact N-O 3.29Å; Y507-F568 PolarHBondContact O-N 3.28Å; L566-F568 HydrophobicContact CB-CD2 4.38Å; L566-F568 HydrophobicContact CB-CE2 3.61Å; L566-F568 HydrophobicContact CB-CZ 4.23Å; L566-F568 HydrophobicContact CD1-CE2 4.26Å; L566-F568 HydrophobicContact CD1-CZ 4.31Å; F568-Q572 VanDerWaalsContact CA-O 3.3Å; F568-Q572 WeakPolarHBondContact CA-O 3.47Å; F568-F573 HydrophobicContact CD1-CB 4.03Å; F568-F573 HydrophobicContact CD1-CD2 4.4Å; F568-F573 HydrophobicContact CE1-CB 3.97Å; F568-F573 HydrophobicContact CE1-CD2 4.08Å; F568-F573 HydrophobicContact CE1-CG 4.48Å; F568-F573 HydrophobicContact CZ-CD2 4.25Å; F568-I635 HydrophobicContact CE1-CD1 4.31Å; F568-I635 HydrophobicContact CE1-CG2 4.27Å; F568-I635 HydrophobicContact CZ-CD1 3.84Å; F568-I635 HydrophobicContact CZ-CG2 4.36Å
569	H	98.2	Very high	98.2	Very high	67 Å²	67	34 Å²	34	31%	0.31	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	131.5	171.3	-170.7	78.6	0	0	0	109	N505 S506 Y567 D571 Q572 Q574	N505-H569 WeakPolarHBondContact O-CA 3.39Å; S506-H569 PolarHBondContact OG-ND1 3.02Å; Y567-H569 HydrophobicContact CE2-CB 4.48Å; H569-D571 VanDerWaalsContact C-N 3.25Å; H569-D571 PolarHBondContact O-N 3.11Å; H569-Q572 PolarHBondContact N-O 3.22Å; H569-Q572 WeakPolarHBondContact O-CB 3.46Å; H569-Q572 PolarHBondContact O-N 2.84Å; H569-Q574 HydrophobicContact CB-CG 3.76Å
570	L	97.4	Very high	98.4	Very high	104 Å²	104	31.1 Å²	31.1	55%	0.545	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	45.4	-175	-65.7	166.9	0	0	0	112.7	N505 Q572	N505-L570 HydrophobicContact CB-CD2 3.83Å; N505-L570 HydrophobicContact CB-CG 4.23Å; N505-L570 PolarHBondContact O-N 3.15Å; L570-Q572 PolarHBondContact O-N 3.15Å
571	D	98.1	Very high	98.4	Very high	54 Å²	54	30 Å²	30	29%	0.289	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	14.6	-175.6	-66.5	-5.9	0	0	0	115.8	N482 Q483 E484 H569	N482-D571 VanDerWaalsContact CA-OD2 3.23Å; N482-D571 WeakPolarHBondContact CA-OD2 3.29Å; N482-D571 VanDerWaalsContact CG-OD2 3.26Å; N482-D571 PolarHBondContact ND2-OD2 2.99Å; Q483-D571 VanDerWaalsContact CB-OD1 3.27Å; Q483-D571 WeakPolarHBondContact CB-OD1 3.45Å; Q483-D571 VanDerWaalsContact N-CG 3.27Å; Q483-D571 PolarHBondContact N-OD1 2.93Å; Q483-D571 PolarHBondContact N-OD2 2.78Å; E484-D571 PolarHBondContact N-OD2 3.12Å; E484-D571 VanDerWaalsContact N-OD2 3.09Å; H569-D571 VanDerWaalsContact C-N 3.25Å; H569-D571 PolarHBondContact O-N 3.11Å
572	Q	97.5	Very high	98.4	Very high	132 Å²	132	29.9 Å²	29.9	62%	0.617	14%	0.143	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.4	171.4	-62.6	176.7	17.3	0	0	110.1	F568 H569 L570 Q574	F568-Q572 VanDerWaalsContact CA-O 3.3Å; F568-Q572 WeakPolarHBondContact CA-O 3.47Å; H569-Q572 PolarHBondContact N-O 3.22Å; H569-Q572 WeakPolarHBondContact O-CB 3.46Å; H569-Q572 PolarHBondContact O-N 2.84Å; L570-Q572 PolarHBondContact O-N 3.15Å; Q572-Q574 PolarHBondContact O-N 2.94Å; Q572-Q574 PolarHBondContact O-NE2 2.72Å
573	F	98	Very high	98.4	Very high	46 Å²	46	30.7 Å²	30.7	20%	0.202	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	126.2	172.2	176.9	-119.6	0	0	0	110.6	L566 F568 G575 Y576 P599 I635 W793	L566-F573 HydrophobicContact CB-CE2 4.37Å; L566-F573 HydrophobicContact CD2-CD2 4.38Å; L566-F573 HydrophobicContact CD2-CE2 3.52Å; L566-F573 HydrophobicContact CD2-CZ 4.08Å; F568-F573 HydrophobicContact CD1-CB 4.03Å; F568-F573 HydrophobicContact CD1-CD2 4.4Å; F568-F573 HydrophobicContact CE1-CB 3.97Å; F568-F573 HydrophobicContact CE1-CD2 4.08Å; F568-F573 HydrophobicContact CE1-CG 4.48Å; F568-F573 HydrophobicContact CZ-CD2 4.25Å; F573-G575 WeakPolarHBondContact CE2-O 3.26Å; F573-Y576 HydrophobicContact CZ-CD2 4.14Å; F573-Y576 AromaticContact CZ-CE2 3.89Å; F573-Y576 HydrophobicContact CZ-CE2 3.89Å; F573-P599 HydrophobicContact CD1-CG 4.45Å; F573-P599 HydrophobicContact CE1-CG 4.38Å; F573-I635 HydrophobicContact CB-CG2 3.91Å; F573-I635 HydrophobicContact CD1-CG2 3.84Å; F573-I635 HydrophobicContact CD2-CG2 3.68Å; F573-I635 HydrophobicContact CE1-CG2 4.23Å; F573-I635 HydrophobicContact CE2-CG2 4.08Å; F573-I635 HydrophobicContact CG-CG2 3.54Å; F573-I635 HydrophobicContact CZ-CG2 4.32Å; F573-W793 HydrophobicContact CE1-CH2 4.2Å; F573-W793 HydrophobicContact CZ-CH2 4.47Å
574	Q	98.5	Very high	98.3	Very high	48 Å²	48	30.3 Å²	30.3	22%	0.224	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-5.9	-177.5	-56.7	-57.2	-52.9	0	0	112.6	Y567 H569 Q572 W596 A598	Y567-Q574 HydrophobicContact CD1-CB 3.42Å; Y567-Q574 VanDerWaalsContact CD1-CB 3.42Å; Y567-Q574 HydrophobicContact CD1-CG 3.97Å; Y567-Q574 HydrophobicContact CE1-CB 3.72Å; Y567-Q574 HydrophobicContact CE1-CG 3.85Å; Y567-Q574 HydrophobicContact CG-CB 4.05Å; Y567-Q574 HydrophobicContact CG-CG 4.46Å; Y567-Q574 PolarHBondContact O-N 2.91Å; H569-Q574 HydrophobicContact CB-CG 3.76Å; Q572-Q574 PolarHBondContact O-N 2.94Å; Q572-Q574 PolarHBondContact O-NE2 2.72Å; Q574-W596 HydrophobicContact CB-CZ2 4.17Å; Q574-W596 PolarHBondContact O-NE1 3.15Å; Q574-A598 WeakPolarHBondContact O-CB 3.34Å
575	G	98.4	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.1	-160.2	-175.9	0	0	0	0	0	114	Y567 F573 V597	Y567-G575 PolarHBondContact N-O 3.23Å; F573-G575 WeakPolarHBondContact CE2-O 3.26Å; G575-V597 CarbonylContact C-O 3.54Å; G575-V597 VanDerWaalsContact CA-O 3.26Å; G575-V597 WeakPolarHBondContact CA-O 3.35Å
576	Y	98.8	Very high	97.8	Very high	8 Å²	8	36.4 Å²	36.4	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.3	-177.3	-63.5	-87.3	0	0	0	111.6	V511 Y529 F532 V564 H565 L566 F573 V597 G636 L638 W793	V511-Y576 HydrophobicContact CG2-CE1 4.49Å; Y529-Y576 HydrophobicContact CE1-CD1 4.34Å; Y529-Y576 HydrophobicContact CE1-CE1 4.37Å; F532-Y576 AromaticContact CE2-CD2 3.71Å; F532-Y576 HydrophobicContact CE2-CD2 3.71Å; F532-Y576 HydrophobicContact CE2-CE2 4.29Å; F532-Y576 HydrophobicContact CE2-CG 4.24Å; F532-Y576 HydrophobicContact CZ-CD2 4.23Å; V564-Y576 HydrophobicContact CG1-CD1 3.76Å; V564-Y576 HydrophobicContact CG1-CG 4.39Å; H565-Y576 CarbonylContact O-C 3.53Å; H565-Y576 WeakPolarHBondContact O-CA 3.48Å; L566-Y576 HydrophobicContact CD2-CD1 3.97Å; L566-Y576 HydrophobicContact CD2-CE1 3.41Å; L566-Y576 VanDerWaalsContact CD2-CE1 3.41Å; L566-Y576 HydrophobicContact CG-CE1 4.38Å; F573-Y576 HydrophobicContact CZ-CD2 4.14Å; F573-Y576 AromaticContact CZ-CE2 3.89Å; F573-Y576 HydrophobicContact CZ-CE2 3.89Å; Y576-V597 PolarHBondContact N-O 3.2Å; Y576-V597 WeakPolarHBondContact O-CG2 3.3Å; Y576-V597 PolarHBondContact O-N 2.68Å; Y576-G636 WeakPolarHBondContact OH-CA 3.46Å; Y576-G636 PolarHBondContact OH-N 2.81Å; Y576-L638 HydrophobicContact CD2-CD1 4.42Å; Y576-L638 HydrophobicContact CE1-CD1 4.33Å; Y576-L638 HydrophobicContact CE2-CD1 3.6Å; Y576-L638 HydrophobicContact CE2-CD2 4Å; Y576-L638 HydrophobicContact CE2-CG 3.87Å; Y576-L638 WeakPolarHBondContact OH-CD1 3.48Å; Y576-W793 AromaticContact CD2-CH2 3.68Å; Y576-W793 HydrophobicContact CD2-CH2 3.68Å; Y576-W793 AromaticContact CD2-CZ3 3.86Å; Y576-W793 HydrophobicContact CD2-CZ3 3.86Å; Y576-W793 AromaticContact CE2-CH2 3.61Å; Y576-W793 HydrophobicContact CE2-CH2 3.61Å; Y576-W793 HydrophobicContact CE2-CZ2 4.24Å; Y576-W793 HydrophobicContact CE2-CZ3 4.27Å
577	L	98.9	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.7	165.1	-46.4	-178.6	0	0	0	108.1	V564 H565 Y567 E594 T595 W596 W817	V564-L577 VanDerWaalsContact CA-O 3.31Å; V564-L577 WeakPolarHBondContact CA-O 3.31Å; H565-L577 HydrophobicContact CB-CB 4.23Å; H565-L577 HydrophobicContact CB-CD1 4.49Å; H565-L577 PolarHBondContact N-O 3.05Å; H565-L577 PolarHBondContact O-N 3.15Å; Y567-L577 HydrophobicContact CD1-CD2 4.18Å; Y567-L577 HydrophobicContact CG-CD1 4.47Å; Y567-L577 HydrophobicContact CG-CD2 4.35Å; L577-E594 HydrophobicContact CB-CG 4.02Å; L577-T595 CarbonylContact C-O 3.59Å; L577-T595 WeakPolarHBondContact CA-O 3.48Å; L577-W596 HydrophobicContact CD2-CB 3.64Å; L577-W596 HydrophobicContact CD2-CG 3.77Å; L577-W817 WeakPolarHBondContact CD1-O 3.33Å; L577-W817 HydrophobicContact CD2-CE3 3.74Å; L577-W817 HydrophobicContact CD2-CZ3 4.12Å
578	V	98.8	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112	-179.3	-175.5	0	0	0	0	108.6	F532 T533 P561 V564 H580 E594 T595	F532-V578 HydrophobicContact CB-CG2 3.85Å; F532-V578 HydrophobicContact CD2-CG2 4.07Å; F532-V578 HydrophobicContact CG-CG2 4.48Å; T533-V578 WeakPolarHBondContact OG1-CG1 3.26Å; P561-V578 HydrophobicContact CB-CG1 4.02Å; P561-V578 HydrophobicContact CG-CG1 4.33Å; V564-V578 HydrophobicContact CG1-CG2 4.27Å; V564-V578 HydrophobicContact CG2-CB 4.48Å; V564-V578 HydrophobicContact CG2-CG1 4.15Å; V564-V578 HydrophobicContact CG2-CG2 4.15Å; V578-H580 PolarHBondContact O-CD2 2.86Å; V578-H580 VanDerWaalsContact O-CD2 3.28Å; V578-E594 WeakPolarHBondContact O-CA 3.24Å; V578-T595 PolarHBondContact N-O 2.91Å; V578-T595 PolarHBondContact O-N 3.26Å
579	K	98.8	Very high	97.4	Very high	46 Å²	46	48.8 Å²	48.8	20%	0.2	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.5	171.8	-173.1	-175.5	175	-174.5	0	109.3	V562 S563 I592 M593	V562-K579 HydrophobicContact CB-CB 4.47Å; V562-K579 HydrophobicContact CB-CD 4.33Å; V562-K579 HydrophobicContact CB-CG 4.23Å; V562-K579 HydrophobicContact CG1-CD 4.16Å; V562-K579 PolarHBondContact N-O 3.14Å; S563-K579 PolarHBondContact N-O 3.31Å; S563-K579 PolarHBondContact O-N 3.43Å; S563-K579 VanDerWaalsContact OG-CB 3.32Å; S563-K579 WeakPolarHBondContact OG-CB 3.19Å; K579-I592 HydrophobicContact CG-CG2 4.37Å; K579-M593 CarbonylContact C-O 3.59Å; K579-M593 VanDerWaalsContact CA-O 3.27Å; K579-M593 WeakPolarHBondContact CA-O 3.23Å
580	H	98.6	Very high	97.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	172.3	-174.6	57.6	80.7	0	0	0	112.4	T533 V578 M593 T595	T533-H580 HydrophobicContact CG2-CB 3.74Å; T533-H580 VanDerWaalsContact CG2-CG 3.48Å; V578-H580 PolarHBondContact O-CD2 2.86Å; V578-H580 VanDerWaalsContact O-CD2 3.28Å; H580-M593 PolarHBondContact N-O 3.42Å; H580-M593 PolarHBondContact O-N 2.73Å; H580-T595 PolarHBondContact NE2-OG1 2.83Å
581	H	98.1	Very high	97.4	Very high	44 Å²	44	46 Å²	46	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.1	173.4	-71.5	-71.3	0	0	0	110.4	M558 V562 L590	M558-H581 HydrophobicContact CB-CB 4.06Å; M558-H581 PolarHBondContact N-O 3.16Å; V562-H581 WeakPolarHBondContact CG2-CD2 3.46Å; V562-H581 WeakPolarHBondContact CG2-NE2 3.26Å; H581-L590 HydrophobicContact CB-CD1 4.17Å
582	A	97.9	Very high	97.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	143.4	172.9	0	0	0	0	0	111.8	L537 Y555 F556 E591 M593	L537-A582 HydrophobicContact CD1-CB 3.97Å; L537-A582 HydrophobicContact CD2-CB 3.8Å; Y555-A582 HydrophobicContact CD1-CB 3.86Å; Y555-A582 HydrophobicContact CG-CB 4.34Å; F556-A582 CarbonylContact O-C 3.5Å; F556-A582 VanDerWaalsContact O-CA 3.27Å; F556-A582 WeakPolarHBondContact O-CA 3.31Å; A582-E591 PolarHBondContact N-O 3.25Å; A582-E591 VanDerWaalsContact N-O 3.12Å; A582-E591 PolarHBondContact O-N 3.18Å; A582-M593 HydrophobicContact CB-SD 4.08Å
583	T	97.9	Very high	97.4	Very high	31 Å²	31	40.3 Å²	40.3	19%	0.19	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.1	175.6	-59.1	0	0	0	0	109.6	Y555 F556 M558 K589	Y555-T583 WeakPolarHBondContact CA-O 3.39Å; F556-T583 PolarHBondContact N-O 2.82Å; F556-T583 PolarHBondContact O-N 3.46Å; M558-T583 VanDerWaalsContact CG-OG1 3.3Å; M558-T583 WeakPolarHBondContact CG-OG1 3.44Å; T583-K589 CarbonylContact C-O 3.46Å; T583-K589 WeakPolarHBondContact CA-O 3.3Å
584	N	96.9	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.6	174	-179	-84.9	0	0	0	110.3	S552 Y555 A586 T587 S588 K589 E591	S552-N584 PolarHBondContact O-ND2 2.71Å; Y555-N584 HydrophobicContact CD1-CB 4.19Å; Y555-N584 HydrophobicContact CE1-CB 3.75Å; Y555-N584 PolarHBondContact OH-ND2 3.5Å; N584-A586 PolarHBondContact OD1-N 3.44Å; N584-T587 PolarHBondContact OD1-N 2.4Å; N584-T587 VanDerWaalsContact OD1-N 3.08Å; N584-T587 PolarHBondContact OD1-OG1 2.97Å; N584-S588 VanDerWaalsContact O-CA 3.23Å; N584-S588 WeakPolarHBondContact O-CA 3.33Å; N584-S588 PolarHBondContact O-N 3.14Å; N584-K589 PolarHBondContact N-O 2.93Å; N584-E591 HydrophobicContact CB-CG 4.34Å
585	L	94.7	Very high	97.4	Very high	87 Å²	87	35.9 Å²	35.9	46%	0.455	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.9	-170.7	-65.9	-173.8	0	0	0	114.3	R554 F556	R554-L585 HydrophobicContact CB-CB 4.28Å; R554-L585 HydrophobicContact CB-CD1 4Å; R554-L585 HydrophobicContact CB-CG 4.38Å; R554-L585 PolarHBondContact O-N 3.17Å; F556-L585 HydrophobicContact CB-CD2 4.11Å
586	A	92.9	Very high	97.4	Very high	57 Å²	57	38.1 Å²	38.1	47%	0.471	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-29.2	176.6	0	0	0	0	0	113.6	H551 N584	H551-A586 HydrophobicContact CB-CB 4.15Å; N584-A586 PolarHBondContact OD1-N 3.44Å
587	T	95.4	Very high	97.4	Very high	57 Å²	57	37.8 Å²	37.8	35%	0.35	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-9.2	-176	60.8	0	0	0	0	114.5	N584 K589 A805	N584-T587 PolarHBondContact OD1-N 2.4Å; N584-T587 VanDerWaalsContact OD1-N 3.08Å; N584-T587 PolarHBondContact OD1-OG1 2.97Å; T587-K589 PolarHBondContact O-N 3.2Å; T587-K589 VanDerWaalsContact O-N 3.16Å; T587-A805 HydrophobicContact CG2-CB 3.54Å
588	S	95.3	Very high	97.4	Very high	100 Å²	100	38.4 Å²	38.4	70%	0.699	21%	0.21	S	C	*	.			trans	54.3	24.6	-172.6	-51.1	0	0	0	0	114.3	N584	N584-S588 VanDerWaalsContact O-CA 3.23Å; N584-S588 WeakPolarHBondContact O-CA 3.33Å; N584-S588 PolarHBondContact O-N 3.14Å
589	K	96.5	Very high	97.3	Very high	142 Å²	142	41.1 Å²	41.1	62%	0.617	23%	0.228	S	C	*	.			trans	-97.8	144.6	178.7	-69.4	178.8	-177.6	178.5	0	111.4	T583 N584 T587	T583-K589 CarbonylContact C-O 3.46Å; T583-K589 WeakPolarHBondContact CA-O 3.3Å; N584-K589 PolarHBondContact N-O 2.93Å; T587-K589 PolarHBondContact O-N 3.2Å; T587-K589 VanDerWaalsContact O-N 3.16Å
590	L	97.1	Very high	97.2	Very high	103 Å²	103	42.3 Å²	42.3	54%	0.539	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.3	170.9	-167.7	70.1	0	0	0	109.6	M558 H581	M558-L590 HydrophobicContact CB-CD1 3.94Å; M558-L590 HydrophobicContact CG-CD1 3.73Å; H581-L590 HydrophobicContact CB-CD1 4.17Å
591	E	97.6	Very high	96.9	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	154.8	173.7	-63.5	-174.9	-173.2	0	0	110.1	Y555 A582 N584 M593 T804 A805	Y555-E591 HydrophobicContact CE1-CB 4.3Å; Y555-E591 HydrophobicContact CE1-CG 4.38Å; Y555-E591 VanDerWaalsContact CE1-OE2 3.31Å; Y555-E591 WeakPolarHBondContact CE1-OE2 3.27Å; Y555-E591 PolarHBondContact OH-OE2 3.11Å; A582-E591 PolarHBondContact N-O 3.25Å; A582-E591 VanDerWaalsContact N-O 3.12Å; A582-E591 PolarHBondContact O-N 3.18Å; N584-E591 HydrophobicContact CB-CG 4.34Å; E591-M593 HydrophobicContact CB-CG 4.4Å; E591-M593 HydrophobicContact CB-SD 4.47Å; E591-T804 WeakPolarHBondContact OE1-CA 3.44Å; E591-T804 PolarHBondContact OE1-OG1 3.12Å; E591-T804 VanDerWaalsContact OE2-CB 3.26Å; E591-T804 WeakPolarHBondContact OE2-CB 3.36Å; E591-T804 PolarHBondContact OE2-OG1 2.85Å; E591-A805 PolarHBondContact OE1-N 3.23Å
592	I	97.8	Very high	96.6	Very high	66 Å²	66	52.9 Å²	52.9	34%	0.338	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.6	174.7	-49.2	-174.8	0	0	0	107.5	K579 V801	K579-I592 HydrophobicContact CG-CG2 4.37Å; I592-V801 HydrophobicContact CB-CB 4.19Å; I592-V801 HydrophobicContact CG2-CB 4.11Å; I592-V801 HydrophobicContact CG2-CG2 4.03Å; I592-V801 PolarHBondContact O-N 2.87Å
593	M	97.6	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.1	-167.1	-60.9	169.3	67.8	0	0	110.1	L537 Y555 K579 H580 A582 E591 I798 C799 M809	L537-M593 HydrophobicContact CD2-CE 3.8Å; L537-M593 HydrophobicContact CD2-SD 4Å; Y555-M593 HydrophobicContact CD1-SD 3.9Å; Y555-M593 HydrophobicContact CD2-CE 4.34Å; Y555-M593 HydrophobicContact CE1-CE 4.29Å; Y555-M593 HydrophobicContact CE1-SD 3.66Å; Y555-M593 HydrophobicContact CE2-CE 4.07Å; Y555-M593 HydrophobicContact CE2-SD 4.49Å; Y555-M593 HydrophobicContact CG-SD 4.41Å; K579-M593 CarbonylContact C-O 3.59Å; K579-M593 VanDerWaalsContact CA-O 3.27Å; K579-M593 WeakPolarHBondContact CA-O 3.23Å; H580-M593 PolarHBondContact N-O 3.42Å; H580-M593 PolarHBondContact O-N 2.73Å; A582-M593 HydrophobicContact CB-SD 4.08Å; E591-M593 HydrophobicContact CB-CG 4.4Å; E591-M593 HydrophobicContact CB-SD 4.47Å; M593-I798 HydrophobicContact CE-CD1 3.54Å; M593-I798 HydrophobicContact CE-CG1 4.03Å; M593-C799 CarbonylContact C-O 3.58Å; M593-C799 VanDerWaalsContact CA-O 3.26Å; M593-C799 WeakPolarHBondContact CA-O 3.18Å; M593-M809 HydrophobicContact CE-CE 3.58Å; M593-M809 HydrophobicContact CE-SD 3.71Å; M593-M809 HydrophobicContact CG-CE 4.47Å; M593-M809 HydrophobicContact SD-CE 4.31Å
594	E	98.8	Very high	96.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125	167.7	-172.4	176.4	-114.8	0	0	109.3	H565 L577 V578 I798 C799 W817 S818 S819	H565-E594 IonicContact ND1-OE1 2.71Å; L577-E594 HydrophobicContact CB-CG 4.02Å; V578-E594 WeakPolarHBondContact O-CA 3.24Å; E594-I798 WeakPolarHBondContact O-CA 3.35Å; E594-I798 WeakPolarHBondContact O-CG1 3.31Å; E594-C799 PolarHBondContact N-O 2.97Å; E594-C799 PolarHBondContact O-N 2.91Å; E594-W817 HydrophobicContact CG-CZ3 4.24Å; E594-W817 WeakPolarHBondContact O-CH2 3.48Å; E594-S818 VanDerWaalsContact OE2-CA 3.29Å; E594-S818 WeakPolarHBondContact OE2-CA 3.48Å; E594-S818 VanDerWaalsContact OE2-CB 3.32Å; E594-S818 WeakPolarHBondContact OE2-CB 3.28Å; E594-S818 PolarHBondContact OE2-OG 2.61Å; E594-S819 VanDerWaalsContact OE1-CB 3.31Å; E594-S819 WeakPolarHBondContact OE1-CB 3.48Å; E594-S819 PolarHBondContact OE1-OG 2.81Å; E594-S819 PolarHBondContact OE2-N 3.26Å
595	T	98.8	Very high	95.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129	174.5	-52.3	0	0	0	0	109.5	G536 L577 V578 H580 V597 A795 I798	G536-T595 VanDerWaalsContact CA-CG2 3.43Å; L577-T595 CarbonylContact C-O 3.59Å; L577-T595 WeakPolarHBondContact CA-O 3.48Å; V578-T595 PolarHBondContact N-O 2.91Å; V578-T595 PolarHBondContact O-N 3.26Å; H580-T595 PolarHBondContact NE2-OG1 2.83Å; T595-V597 HydrophobicContact CG2-CG1 4.04Å; T595-A795 HydrophobicContact CG2-CB 4.15Å; T595-I798 WeakPolarHBondContact OG1-CD1 3.37Å
596	W	98.8	Very high	95.1	Very high	48 Å²	48	61.3 Å²	61.3	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.3	161.6	174.7	22.6	0	0	0	109.5	Y567 Q574 L577 A795 A796 D797 W817	Y567-W596 AromaticContact CD1-NE1 4Å; Y567-W596 HydrophobicContact CE1-CZ2 4.2Å; Q574-W596 HydrophobicContact CB-CZ2 4.17Å; Q574-W596 PolarHBondContact O-NE1 3.15Å; L577-W596 HydrophobicContact CD2-CB 3.64Å; L577-W596 HydrophobicContact CD2-CG 3.77Å; W596-A795 CarbonylContact O-C 3.59Å; W596-A795 WeakPolarHBondContact O-CA 3.28Å; W596-A796 HydrophobicContact CD2-CB 3.58Å; W596-A796 HydrophobicContact CE3-CB 3.74Å; W596-A796 HydrophobicContact CG-CB 4.02Å; W596-A796 HydrophobicContact CH2-CB 4.22Å; W596-A796 HydrophobicContact CZ2-CB 4.09Å; W596-A796 HydrophobicContact CZ3-CB 4.06Å; W596-A796 PolarHBondContact O-N 2.65Å; W596-D797 HydrophobicContact CE3-CB 4.06Å; W596-D797 PolarHBondContact N-O 3.4Å; W596-D797 PolarHBondContact O-N 3.08Å; W596-W817 HydrophobicContact CB-CD2 4.06Å; W596-W817 HydrophobicContact CB-CE3 3.7Å; W596-W817 HydrophobicContact CB-CH2 4.2Å; W596-W817 HydrophobicContact CB-CZ3 3.79Å; W596-W817 HydrophobicContact CD2-CB 4.41Å; W596-W817 HydrophobicContact CD2-CD2 4.49Å; W596-W817 HydrophobicContact CD2-CG 4.34Å; W596-W817 HydrophobicContact CE3-CB 3.97Å; W596-W817 AromaticContact CE3-CD1 3.72Å; W596-W817 HydrophobicContact CE3-CD2 4.01Å; W596-W817 AromaticContact CE3-CG 3.64Å; W596-W817 HydrophobicContact CE3-CG 3.64Å; W596-W817 HydrophobicContact CG-CE3 4.4Å; W596-W817 HydrophobicContact CZ3-CB 4.27Å; W596-W817 AromaticContact CZ3-CD1 4Å; W596-W817 HydrophobicContact CZ3-CG 4.17Å
597	V	98.6	Very high	93.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.7	170.1	-80.9	0	0	0	0	110.5	F532 G575 Y576 T595 W793 E794 A795	F532-V597 HydrophobicContact CB-CB 4.48Å; F532-V597 HydrophobicContact CB-CG1 3.94Å; F532-V597 HydrophobicContact CB-CG2 3.82Å; F532-V597 HydrophobicContact CD1-CB 4.16Å; F532-V597 HydrophobicContact CD1-CG1 4Å; F532-V597 HydrophobicContact CD1-CG2 3.9Å; F532-V597 HydrophobicContact CD2-CG2 3.72Å; F532-V597 HydrophobicContact CE1-CG2 4.32Å; F532-V597 HydrophobicContact CE2-CG2 4.18Å; F532-V597 HydrophobicContact CG-CB 4.27Å; F532-V597 HydrophobicContact CG-CG1 4.14Å; F532-V597 HydrophobicContact CG-CG2 3.57Å; F532-V597 HydrophobicContact CZ-CG2 4.45Å; G575-V597 CarbonylContact C-O 3.54Å; G575-V597 VanDerWaalsContact CA-O 3.26Å; G575-V597 WeakPolarHBondContact CA-O 3.35Å; Y576-V597 PolarHBondContact N-O 3.2Å; Y576-V597 WeakPolarHBondContact O-CG2 3.3Å; Y576-V597 PolarHBondContact O-N 2.68Å; T595-V597 HydrophobicContact CG2-CG1 4.04Å; V597-W793 HydrophobicContact CB-CE3 4.34Å; V597-E794 CarbonylContact C-O 3.5Å; V597-E794 VanDerWaalsContact CA-O 3.26Å; V597-E794 WeakPolarHBondContact CA-O 3.43Å; V597-A795 HydrophobicContact CG1-CB 4.43Å
598	A	98.3	Very high	92.1	Very high	14 Å²	14	64.6 Å²	64.6	12%	0.116	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.2	-178.9	0	0	0	0	0	111.6	Q574 W793 E794 A796	Q574-A598 WeakPolarHBondContact O-CB 3.34Å; A598-W793 VanDerWaalsContact C-CE3 3.4Å; A598-W793 WeakPolarHBondContact O-CA 3.33Å; A598-E794 PolarHBondContact N-O 2.98Å; A598-E794 PolarHBondContact O-N 3.26Å; A598-A796 HydrophobicContact CB-CB 3.86Å
599	P	97.1	Very high	89.8	Confident	57 Å²	57	66.2 Å²	66.2	37%	0.37	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.8	175.2	31.4	-33.2	0	0	0	111.1	F573 W793	F573-P599 HydrophobicContact CD1-CG 4.45Å; F573-P599 HydrophobicContact CE1-CG 4.38Å; P599-W793 HydrophobicContact CB-CD2 4.46Å; P599-W793 HydrophobicContact CB-CE3 4.18Å; P599-W793 HydrophobicContact CB-CH2 3.96Å; P599-W793 HydrophobicContact CB-CZ2 4.25Å; P599-W793 HydrophobicContact CB-CZ3 3.93Å; P599-W793 HydrophobicContact CG-CH2 4.38Å; P599-W793 HydrophobicContact CG-CZ3 4.25Å
600	K	96.1	Very high	87.7	Confident	70 Å²	70	63.3 Å²	63.3	30%	0.304	35%	0.346	S	S	.	.			trans	-78.6	151.8	172.9	-70	170.1	170.1	153.3	0	110.6	N602 G790 E791 L792 W793 E794	K600-N602 PolarHBondContact O-N 2.99Å; K600-G790 PolarHBondContact NZ-O 2.88Å; K600-E791 WeakPolarHBondContact CD-O 3.41Å; K600-L792 WeakPolarHBondContact CB-O 3.4Å; K600-L792 PolarHBondContact N-O 3.1Å; K600-W793 VanDerWaalsContact CE-O 3.29Å; K600-W793 WeakPolarHBondContact CE-O 3.09Å; K600-W793 PolarHBondContact NZ-O 3.32Å; K600-E794 WeakPolarHBondContact CE-OE2 3.27Å; K600-E794 HydrophobicContact CG-CG 4.19Å; K600-E794 IonicContact NZ-OE2 2.74Å
601	K	92	Very high	86	Confident	212 Å²	212	61.3 Å²	61.3	92%	0.922	34%	0.341	S	S	*	.			trans	-63.2	109.3	176.6	-67.6	-177.9	-178.9	177.6	0	110.6
602	N	92.3	Very high	84.1	Confident	57 Å²	57	67.3 Å²	67.3	31%	0.305	38%	0.378	S	S	.	.			trans	-106.3	-15	-175.4	67.7	-29.2	0	0	0	114.1	K600 I714 R715 L792	K600-N602 PolarHBondContact O-N 2.99Å; N602-I714 WeakPolarHBondContact O-CA 3.42Å; N602-R715 HydrophobicContact CB-CB 4.37Å; N602-R715 WeakPolarHBondContact CB-O 3.32Å; N602-R715 PolarHBondContact ND2-O 3.45Å; N602-R715 PolarHBondContact O-N 2.8Å; N602-L792 HydrophobicContact CB-CD2 4.32Å
603	F	93.8	Very high	82.6	Confident	45 Å²	45	65 Å²	65	20%	0.197	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133	171.2	174.3	-100	0	0	0	111	L605 L616 F618 A619 A712 I714	F603-L605 HydrophobicContact CE1-CB 4.49Å; F603-L605 HydrophobicContact CZ-CD1 4.39Å; F603-L616 HydrophobicContact CE2-CD2 4.38Å; F603-L616 HydrophobicContact CZ-CD2 4.34Å; F603-F618 HydrophobicContact CB-CD2 4.4Å; F603-F618 HydrophobicContact CB-CE2 4.14Å; F603-F618 HydrophobicContact CD1-CD2 4.02Å; F603-F618 HydrophobicContact CE1-CD2 4.45Å; F603-F618 HydrophobicContact CG-CD2 4.06Å; F603-F618 HydrophobicContact CG-CE2 4.3Å; F603-A619 HydrophobicContact CD2-CB 4.16Å; F603-A619 WeakPolarHBondContact CD2-O 3.39Å; F603-A619 HydrophobicContact CE2-CB 3.87Å; F603-A712 HydrophobicContact CE2-CB 3.81Å; F603-A712 HydrophobicContact CZ-CB 4.16Å; F603-I714 HydrophobicContact CD2-CG1 3.79Å; F603-I714 HydrophobicContact CE2-CG1 4.4Å
604	K	92.9	Very high	81.4	Confident	121 Å²	121	69.3 Å²	69.3	53%	0.526	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128	175.4	179.9	-177	173.3	-170.5	0	110.4	A712 E713	K604-A712 CarbonylContact O-C 3.59Å; K604-A712 VanDerWaalsContact O-CA 3.26Å; K604-A712 WeakPolarHBondContact O-CA 3.33Å; K604-A712 WeakPolarHBondContact O-CB 3.44Å; K604-E713 PolarHBondContact N-O 3.29Å; K604-E713 PolarHBondContact O-N 3.1Å
605	L	88.9	Confident	81	Confident	82 Å²	82	70 Å²	70	43%	0.429	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.9	166.4	-163.6	73	0	0	0	109.1	F603 T607 L616 V711 A712	F603-L605 HydrophobicContact CE1-CB 4.49Å; F603-L605 HydrophobicContact CZ-CD1 4.39Å; L605-T607 HydrophobicContact CD1-CG2 4.19Å; L605-T607 HydrophobicContact CD2-CG2 4.4Å; L605-T607 HydrophobicContact CG-CG2 4.12Å; L605-L616 HydrophobicContact CD1-CD2 4.31Å; L605-V711 HydrophobicContact CD1-CG1 4.37Å; L605-V711 WeakPolarHBondContact CD1-O 3.5Å; L605-A712 HydrophobicContact CD1-CB 4.28Å
606	T	80.5	Confident	80.7	Confident	47 Å²	47	70.4 Å²	70.4	29%	0.288	40%	0.401	S	S	.	.			trans	-122.1	9	-171	-54.6	0	0	0	0	111.7	L608 P710 V711	T606-L608 PolarHBondContact O-N 3.49Å; T606-L608 VanDerWaalsContact O-N 3.13Å; T606-P710 HydrophobicContact CG2-CB 4.12Å; T606-V711 PolarHBondContact N-O 3.34Å
607	T	65.8	Low	80.4	Confident	53 Å²	53	72.1 Å²	72.1	33%	0.325	41%	0.411	S	S	.	.			trans	-55	115	179.7	47	0	0	0	0	112.4	L605 V711	L605-T607 HydrophobicContact CD1-CG2 4.19Å; L605-T607 HydrophobicContact CD2-CG2 4.4Å; L605-T607 HydrophobicContact CG-CG2 4.12Å; T607-V711 HydrophobicContact CG2-CG1 4.1Å
608	L	59.1	Low	80.1	Confident	130 Å²	130	75.6 Å²	75.6	68%	0.681	43%	0.426	S	S	*	.			trans	-61.9	148	176.6	-71.2	164	0	0	0	112	T606 G610 S611	T606-L608 PolarHBondContact O-N 3.49Å; T606-L608 VanDerWaalsContact O-N 3.13Å; L608-G610 PolarHBondContact O-N 3.23Å; L608-S611 VanDerWaalsContact O-CB 3.3Å; L608-S611 WeakPolarHBondContact O-CB 3.34Å; L608-S611 PolarHBondContact O-N 2.7Å
609	P	47.6	Very low	79.9	Confident	134 Å²	134	75 Å²	75	87%	0.87	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	125.6	169.6	-23.9	34.2	0	0	0	110.9
610	G	52.8	Low	79.9	Confident	81 Å²	81	74.9 Å²	74.9	84%	0.835	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-4	-175	0	0	0	0	0	115.5	L608 T612	L608-G610 PolarHBondContact O-N 3.23Å; G610-T612 PolarHBondContact O-N 2.89Å
611	S	59.9	Low	79.9	Confident	60 Å²	60	72 Å²	72	42%	0.42	40%	0.403	S	S	.	.			trans	-64.3	127.8	170.1	-178.2	0	0	0	0	111.4	L608 F613	L608-S611 VanDerWaalsContact O-CB 3.3Å; L608-S611 WeakPolarHBondContact O-CB 3.34Å; L608-S611 PolarHBondContact O-N 2.7Å; S611-F613 PolarHBondContact O-N 3.33Å; S611-F613 PolarHBondContact OG-N 3.05Å
612	T	58	Low	80.2	Confident	136 Å²	136	61.9 Å²	61.9	83%	0.834	36%	0.36	S	S	*	.			trans	-77.6	-6.3	172.7	52.4	0	0	0	0	113.2	G610 S614	G610-T612 PolarHBondContact O-N 2.89Å; T612-S614 PolarHBondContact O-N 3.32Å
613	F	67.6	Low	80.4	Confident	17 Å²	17	59.7 Å²	59.7	8%	0.075	35%	0.348	C	S	.	.			trans	-85.3	99.8	-178.6	-167.6	-79.6	0	0	0	111.3	S611 L616 W651 V657 V659 H706 V711	S611-F613 PolarHBondContact O-N 3.33Å; S611-F613 PolarHBondContact OG-N 3.05Å; F613-L616 HydrophobicContact CE1-CB 4.03Å; F613-W651 HydrophobicContact CE1-CZ3 4.06Å; F613-W651 HydrophobicContact CZ-CH2 4.33Å; F613-W651 AromaticContact CZ-CZ3 3.75Å; F613-W651 HydrophobicContact CZ-CZ3 3.75Å; F613-V657 HydrophobicContact CD2-CG2 4.09Å; F613-V657 HydrophobicContact CE2-CB 4.36Å; F613-V657 HydrophobicContact CE2-CG1 3.81Å; F613-V657 HydrophobicContact CE2-CG2 3.65Å; F613-V657 HydrophobicContact CZ-CG1 4.32Å; F613-V659 HydrophobicContact CE2-CG1 3.63Å; F613-V659 HydrophobicContact CZ-CG1 3.47Å; F613-V659 VanDerWaalsContact CZ-CG1 3.47Å; F613-H706 HydrophobicContact CD2-CB 3.91Å; F613-H706 AromaticContact CD2-CD2 3.59Å; F613-H706 AromaticContact CD2-CG 3.5Å; F613-H706 AromaticContact CD2-ND1 3.81Å; F613-H706 AromaticContact CD2-NE2 3.93Å; F613-H706 HydrophobicContact CE2-CB 4.1Å; F613-H706 AromaticContact CE2-CD2 3.71Å; F613-H706 AromaticContact CE2-CG 3.9Å; F613-H706 HydrophobicContact CG-CB 4.41Å; F613-V711 HydrophobicContact CD1-CG1 3.63Å; F613-V711 HydrophobicContact CD1-CG2 4.04Å; F613-V711 HydrophobicContact CE1-CG1 3.6Å; F613-V711 HydrophobicContact CE1-CG2 4.27Å; F613-V711 HydrophobicContact CG-CG2 4.39Å
614	S	72.4	Confident	80.5	Confident	92 Å²	92	63.5 Å²	63.5	64%	0.643	37%	0.367	S	S	*	.			trans	-120.7	10.2	-178.9	59.9	0	0	0	0	114.3	T612 N652	T612-S614 PolarHBondContact O-N 3.32Å; S614-N652 PolarHBondContact O-ND2 3.42Å; S614-N652 VanDerWaalsContact O-ND2 3.14Å
615	R	89.4	Confident	80.6	Confident	13 Å²	13	59.6 Å²	59.6	5%	0.049	35%	0.349	C	S	.	.			trans	-76.1	-32.8	-175	-73.5	-163.9	69.6	-162.5	-7.8	114.4	Q617 W651 N652 P655 I678 D679 A682	R615-Q617 PolarHBondContact O-N 2.96Å; R615-W651 HydrophobicContact CB-CE3 3.99Å; R615-W651 HydrophobicContact CB-CZ3 4.46Å; R615-W651 CarbonylContact O-C 3.57Å; R615-W651 WeakPolarHBondContact O-CA 3.43Å; R615-N652 VanDerWaalsContact CZ-O 3.31Å; R615-N652 PolarHBondContact NE-O 2.93Å; R615-N652 PolarHBondContact NH2-O 3.44Å; R615-N652 PolarHBondContact O-N 2.84Å; R615-P655 WeakPolarHBondContact CD-O 3.48Å; R615-P655 PolarHBondContact NH1-O 3Å; R615-I678 PolarHBondContact NH1-O 2.9Å; R615-D679 PolarHBondContact NH1-O 2.8Å; R615-D679 PolarHBondContact NH2-O 3.31Å; R615-A682 PolarHBondContact NH2-O 3.02Å
616	L	92.4	Very high	81	Confident	10 Å²	10	57 Å²	57	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.7	-178.4	-176.5	66.1	0	0	0	110.6	F603 L605 F613 F618 A619 Q649 W651 I704 V711 A712	F603-L616 HydrophobicContact CE2-CD2 4.38Å; F603-L616 HydrophobicContact CZ-CD2 4.34Å; L605-L616 HydrophobicContact CD1-CD2 4.31Å; F613-L616 HydrophobicContact CE1-CB 4.03Å; L616-F618 WeakPolarHBondContact CD1-O 3.39Å; L616-A619 HydrophobicContact CD1-CB 4.44Å; L616-Q649 HydrophobicContact CD1-CB 4.09Å; L616-W651 HydrophobicContact CB-CE3 4.07Å; L616-W651 HydrophobicContact CB-CH2 4.27Å; L616-W651 HydrophobicContact CB-CZ3 3.6Å; L616-W651 HydrophobicContact CD1-CD2 4.43Å; L616-W651 HydrophobicContact CD1-CE3 4.14Å; L616-W651 HydrophobicContact CD1-CH2 3.79Å; L616-W651 HydrophobicContact CD1-CZ2 4.11Å; L616-W651 HydrophobicContact CD1-CZ3 3.82Å; L616-W651 HydrophobicContact CG-CZ3 4.28Å; L616-I704 HydrophobicContact CD1-CD1 4.37Å; L616-I704 HydrophobicContact CD2-CD1 3.92Å; L616-V711 HydrophobicContact CB-CG1 4.42Å; L616-V711 HydrophobicContact CD2-CG1 4.01Å; L616-A712 HydrophobicContact CD2-CB 3.49Å; L616-A712 VanDerWaalsContact CD2-CB 3.49Å
617	Q	92.4	Very high	81.6	Confident	83 Å²	83	56.1 Å²	56.1	39%	0.388	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-46.3	170.9	-67.7	-168.7	-6.9	0	0	111.9	R615 K650 N652	R615-Q617 PolarHBondContact O-N 2.96Å; Q617-K650 HydrophobicContact CB-CD 4.48Å; Q617-K650 HydrophobicContact CB-CG 4.48Å; Q617-K650 PolarHBondContact N-O 3.09Å; Q617-N652 PolarHBondContact NE2-OD1 3.29Å
618	F	93.4	Very high	83	Confident	73 Å²	73	54.2 Å²	54.2	32%	0.32	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	153	-167.1	178	-116.1	0	0	0	109.8	F603 L616 E620 M648 K650	F603-F618 HydrophobicContact CB-CD2 4.4Å; F603-F618 HydrophobicContact CB-CE2 4.14Å; F603-F618 HydrophobicContact CD1-CD2 4.02Å; F603-F618 HydrophobicContact CE1-CD2 4.45Å; F603-F618 HydrophobicContact CG-CD2 4.06Å; F603-F618 HydrophobicContact CG-CE2 4.3Å; L616-F618 WeakPolarHBondContact CD1-O 3.39Å; F618-E620 HydrophobicContact CE1-CB 3.71Å; F618-E620 HydrophobicContact CE1-CG 4.29Å; F618-E620 HydrophobicContact CZ-CB 3.89Å; F618-E620 HydrophobicContact CZ-CG 4.23Å; F618-M648 HydrophobicContact CD1-CE 4.25Å; F618-M648 HydrophobicContact CE1-CE 4.18Å; F618-K650 HydrophobicContact CB-CB 4.31Å; F618-K650 PolarHBondContact O-N 3.06Å
619	A	94.4	Very high	84.8	Confident	1 Å²	1	49 Å²	49	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.6	170.8	0	0	0	0	0	110.3	F603 L616 M648 Q649 I704 I714	F603-A619 HydrophobicContact CD2-CB 4.16Å; F603-A619 WeakPolarHBondContact CD2-O 3.39Å; F603-A619 HydrophobicContact CE2-CB 3.87Å; L616-A619 HydrophobicContact CD1-CB 4.44Å; A619-M648 VanDerWaalsContact CA-O 3.27Å; A619-M648 WeakPolarHBondContact CA-O 3.46Å; A619-M648 WeakPolarHBondContact CB-O 3.44Å; A619-Q649 HydrophobicContact CB-CB 4.43Å; A619-Q649 HydrophobicContact CB-CG 4.16Å; A619-I704 HydrophobicContact CB-CD1 3.72Å; A619-I714 HydrophobicContact CB-CD1 3.74Å; A619-I714 HydrophobicContact CB-CG1 3.91Å
620	E	95.8	Very high	87.1	Confident	55 Å²	55	46.5 Å²	46.5	26%	0.257	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.3	-166.6	-172.4	177.6	-158.1	0	0	110.4	F618 F632 M648	F618-E620 HydrophobicContact CE1-CB 3.71Å; F618-E620 HydrophobicContact CE1-CG 4.29Å; F618-E620 HydrophobicContact CZ-CB 3.89Å; F618-E620 HydrophobicContact CZ-CG 4.23Å; E620-F632 HydrophobicContact CB-CE2 4.02Å; E620-F632 HydrophobicContact CG-CD2 3.95Å; E620-F632 HydrophobicContact CG-CE2 3.75Å; E620-M648 HydrophobicContact CB-CE 4.06Å; E620-M648 PolarHBondContact N-O 2.71Å; E620-M648 PolarHBondContact O-N 2.68Å; E620-M648 WeakPolarHBondContact OE2-CE 3.44Å
621	I	97.4	Very high	89.1	Confident	9 Å²	9	44.5 Å²	44.5	5%	0.046	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.6	176.3	-45.3	-62.3	0	0	0	108.2	V646 A647 W663 V702 I714 F716	I621-V646 WeakPolarHBondContact CA-O 2.98Å; I621-A647 HydrophobicContact CD1-CB 3.48Å; I621-A647 VanDerWaalsContact CD1-CB 3.48Å; I621-W663 HydrophobicContact CD1-CH2 4.2Å; I621-W663 HydrophobicContact CD1-CZ2 4.39Å; I621-W663 HydrophobicContact CG2-CH2 3.81Å; I621-W663 HydrophobicContact CG2-CZ3 3.91Å; I621-V702 HydrophobicContact CD1-CB 4.1Å; I621-V702 HydrophobicContact CD1-CG1 4.3Å; I621-V702 HydrophobicContact CD1-CG2 3.72Å; I621-V702 HydrophobicContact CG1-CG2 4.07Å; I621-I714 HydrophobicContact CG1-CB 4.48Å; I621-I714 HydrophobicContact CG1-CG2 4.08Å; I621-F716 HydrophobicContact CB-CB 4.09Å; I621-F716 HydrophobicContact CB-CD1 3.85Å; I621-F716 HydrophobicContact CB-CE1 4.41Å; I621-F716 HydrophobicContact CB-CG 3.95Å; I621-F716 HydrophobicContact CG1-CB 4.47Å; I621-F716 HydrophobicContact CG1-CD1 3.68Å; I621-F716 HydrophobicContact CG1-CE1 4.19Å; I621-F716 HydrophobicContact CG1-CG 4.26Å; I621-F716 HydrophobicContact CG2-CB 4.49Å; I621-F716 HydrophobicContact CG2-CD1 3.79Å; I621-F716 HydrophobicContact CG2-CD2 4.11Å; I621-F716 HydrophobicContact CG2-CE1 3.91Å; I621-F716 HydrophobicContact CG2-CE2 4.23Å; I621-F716 HydrophobicContact CG2-CG 3.88Å; I621-F716 HydrophobicContact CG2-CZ 4.13Å
622	G	97.1	Very high	90.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-171.1	-178.4	0	0	0	0	0	113.5	V646	G622-V646 PolarHBondContact N-O 2.93Å; G622-V646 PolarHBondContact O-N 2.89Å
623	T	97.1	Very high	92.8	Very high	10 Å²	10	39 Å²	39	6%	0.061	19%	0.19	C	C	.	.	S	Bend	trans	-122	168.1	173.6	60.5	0	0	0	0	110.8	F632 N634 M639 D643	T623-F632 WeakPolarHBondContact O-CB 3.49Å; T623-F632 VanDerWaalsContact O-CD1 3.27Å; T623-F632 WeakPolarHBondContact O-CD1 3.27Å; T623-N634 WeakPolarHBondContact OG1-CB 3.46Å; T623-N634 PolarHBondContact OG1-ND2 3.42Å; T623-M639 HydrophobicContact CG2-CG 4Å; T623-M639 HydrophobicContact CG2-SD 3.96Å; T623-D643 HydrophobicContact CG2-CB 4.08Å
624	E	95.1	Very high	94.2	Very high	125 Å²	125	39.1 Å²	39.1	58%	0.584	19%	0.191	S	C	*	.	S	Bend	trans	57.7	54.8	178.8	-53.5	-179.8	-172.1	0	0	114	D626 R633	E624-D626 PolarHBondContact O-N 3.33Å; E624-R633 HydrophobicContact CB-CB 3.94Å; E624-R633 PolarHBondContact O-N 2.96Å
625	W	95.8	Very high	95.3	Very high	40 Å²	40	36 Å²	36	15%	0.152	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	112.8	176.2	174.6	-112.9	0	0	0	112.5	A627 R630 M631 F632 M648 F684 H686	W625-A627 PolarHBondContact O-N 3.2Å; W625-R630 VanDerWaalsContact CH2-CA 3.41Å; W625-R630 HydrophobicContact CH2-CB 3.9Å; W625-R630 WeakPolarHBondContact CH2-O 3.31Å; W625-R630 HydrophobicContact CZ2-CB 4.25Å; W625-R630 WeakPolarHBondContact CZ3-O 3.05Å; W625-M631 VanDerWaalsContact CZ3-N 3.34Å; W625-F632 HydrophobicContact CB-CD1 4.01Å; W625-F632 HydrophobicContact CB-CE1 3.9Å; W625-F632 HydrophobicContact CD2-CE1 4.48Å; W625-F632 HydrophobicContact CE3-CD1 4.04Å; W625-F632 AromaticContact CE3-CE1 3.92Å; W625-F632 HydrophobicContact CE3-CE1 3.92Å; W625-F632 HydrophobicContact CE3-CG 4.42Å; W625-F632 HydrophobicContact CE3-CZ 4.2Å; W625-M648 HydrophobicContact CE3-CG 4.38Å; W625-M648 HydrophobicContact CH2-CG 3.59Å; W625-M648 HydrophobicContact CZ2-CG 4.37Å; W625-M648 HydrophobicContact CZ3-CB 4.17Å; W625-M648 HydrophobicContact CZ3-CE 4.26Å; W625-M648 HydrophobicContact CZ3-CG 3.6Å; W625-F684 HydrophobicContact CH2-CD1 4.11Å; W625-H686 AromaticContact CD1-CD2 3.34Å; W625-H686 AromaticContact CD1-CG 3.85Å; W625-H686 AromaticContact CD1-NE2 3.48Å; W625-H686 AromaticContact CE2-CG 3.91Å; W625-H686 AromaticContact CE2-ND1 4Å; W625-H686 AromaticContact NE1-CD2 3.33Å; W625-H686 PolarHBondContact NE1-CD2 3.43Å; W625-H686 VanDerWaalsContact NE1-CD2 3.33Å; W625-H686 AromaticContact NE1-CE1 3.4Å; W625-H686 PolarHBondContact NE1-CE1 2.83Å; W625-H686 AromaticContact NE1-CG 3.42Å; W625-H686 AromaticContact NE1-ND1 3.44Å; W625-H686 PolarHBondContact NE1-ND1 2.93Å; W625-H686 AromaticContact NE1-NE2 3.31Å; W625-H686 PolarHBondContact NE1-NE2 2.96Å
626	D	96.4	Very high	95.5	Very high	26 Å²	26	36 Å²	36	14%	0.139	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	97.8	170.1	-173.3	-29	0	0	0	109.5	E624 K628 E629 R630 M631 R633	E624-D626 PolarHBondContact O-N 3.33Å; D626-K628 PolarHBondContact O-N 2.96Å; D626-K628 WeakPolarHBondContact OD1-CA 3.43Å; D626-K628 VanDerWaalsContact OD1-CB 3.24Å; D626-K628 WeakPolarHBondContact OD1-CB 3.5Å; D626-K628 PolarHBondContact OD1-N 2.98Å; D626-E629 PolarHBondContact OD1-N 3.1Å; D626-R630 VanDerWaalsContact O-CA 3.24Å; D626-R630 WeakPolarHBondContact O-CA 3.3Å; D626-R630 PolarHBondContact O-N 2.92Å; D626-M631 WeakPolarHBondContact CB-O 3.27Å; D626-M631 PolarHBondContact N-O 3.26Å; D626-M631 PolarHBondContact O-N 2.87Å; D626-R633 HydrophobicContact CB-CG 4.11Å; D626-R633 IonicContact OD2-CZ 2.67Å; D626-R633 VanDerWaalsContact OD2-CZ 3.28Å; D626-R633 IonicContact OD2-NE 3.51Å; D626-R633 PolarHBondContact OD2-NE 3Å; D626-R633 IonicContact OD2-NH2 2.84Å; D626-R633 PolarHBondContact OD2-NH2 2.85Å
627	A	92.8	Very high	95.7	Very high	29 Å²	29	36.4 Å²	36.4	24%	0.24	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-5.7	178	0	0	0	0	0	114.7	K439 W625	K439-A627 HydrophobicContact CG-CB 4.18Å; W625-A627 PolarHBondContact O-N 3.2Å
628	K	95.4	Very high	96	Very high	14 Å²	14	32.7 Å²	32.7	6%	0.061	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-49.5	174.9	172.8	-171.9	80	78.2	0	110.5	P453 N454 D455 D626	P453-K628 WeakPolarHBondContact O-CD 3.43Å; P453-K628 PolarHBondContact O-NZ 3.03Å; N454-K628 WeakPolarHBondContact ND2-CG 3.4Å; N454-K628 PolarHBondContact ND2-O 3.29Å; D455-K628 IonicContact OD2-NZ 3.7Å; D455-K628 PolarHBondContact OD2-NZ 3.11Å; D626-K628 PolarHBondContact O-N 2.96Å; D626-K628 WeakPolarHBondContact OD1-CA 3.43Å; D626-K628 VanDerWaalsContact OD1-CB 3.24Å; D626-K628 WeakPolarHBondContact OD1-CB 3.5Å; D626-K628 PolarHBondContact OD1-N 2.98Å
629	E	96.9	Very high	96.2	Very high	21 Å²	21	29.2 Å²	29.2	10%	0.098	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.2	179.2	-63.7	-52.2	131.9	0	0	114.4	N454 D455 K457 V481 D626 M631	N454-E629 VanDerWaalsContact CA-OE1 3.27Å; N454-E629 WeakPolarHBondContact CA-OE1 3.05Å; N454-E629 PolarHBondContact ND2-OE1 3.19Å; D455-E629 PolarHBondContact N-OE1 2.98Å; K457-E629 IonicContact NZ-OE2 3.14Å; V481-E629 HydrophobicContact CG1-CB 4.24Å; V481-E629 HydrophobicContact CG1-CG 4.01Å; D626-E629 PolarHBondContact OD1-N 3.1Å; E629-M631 HydrophobicContact CB-CG 4.27Å; E629-M631 HydrophobicContact CB-SD 4.44Å
630	R	95.7	Very high	96.4	Very high	80 Å²	80	29.2 Å²	29.2	30%	0.302	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	45.3	176.1	-56.3	158.1	158	-163.6	-8.4	113.3	W625 D626 E683 F684	W625-R630 VanDerWaalsContact CH2-CA 3.41Å; W625-R630 HydrophobicContact CH2-CB 3.9Å; W625-R630 WeakPolarHBondContact CH2-O 3.31Å; W625-R630 HydrophobicContact CZ2-CB 4.25Å; W625-R630 WeakPolarHBondContact CZ3-O 3.05Å; D626-R630 VanDerWaalsContact O-CA 3.24Å; D626-R630 WeakPolarHBondContact O-CA 3.3Å; D626-R630 PolarHBondContact O-N 2.92Å; R630-E683 IonicContact CZ-OE2 2.6Å; R630-E683 VanDerWaalsContact CZ-OE2 3.25Å; R630-E683 IonicContact NH1-OE2 2.71Å; R630-E683 PolarHBondContact NH1-OE2 2.88Å; R630-E683 IonicContact NH2-OE2 3.31Å; R630-E683 PolarHBondContact NH2-OE2 3.46Å; R630-F684 HydrophobicContact CB-CD1 4.26Å; R630-F684 HydrophobicContact CB-CD2 4.37Å; R630-F684 HydrophobicContact CB-CE1 4.1Å; R630-F684 HydrophobicContact CB-CE2 4.25Å; R630-F684 HydrophobicContact CB-CG 4.38Å; R630-F684 HydrophobicContact CB-CZ 4.09Å; R630-F684 HydrophobicContact CG-CD2 4.35Å
631	M	96.1	Very high	96.5	Very high	40 Å²	40	26.6 Å²	26.6	20%	0.197	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	164.1	178.1	64.3	-177.1	-70.6	0	0	111.6	V481 W625 D626 E629 I635	V481-M631 HydrophobicContact CG1-SD 4.49Å; V481-M631 HydrophobicContact CG2-SD 3.85Å; W625-M631 VanDerWaalsContact CZ3-N 3.34Å; D626-M631 WeakPolarHBondContact CB-O 3.27Å; D626-M631 PolarHBondContact N-O 3.26Å; D626-M631 PolarHBondContact O-N 2.87Å; E629-M631 HydrophobicContact CB-CG 4.27Å; E629-M631 HydrophobicContact CB-SD 4.44Å; M631-I635 HydrophobicContact CE-CD1 3.77Å; M631-I635 HydrophobicContact CE-CG1 3.9Å
632	F	97.8	Very high	96.5	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.022	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	140.9	167.7	-64.1	-66.3	0	0	0	110.9	E620 T623 W625 I635 V646 M648	E620-F632 HydrophobicContact CB-CE2 4.02Å; E620-F632 HydrophobicContact CG-CD2 3.95Å; E620-F632 HydrophobicContact CG-CE2 3.75Å; T623-F632 WeakPolarHBondContact O-CB 3.49Å; T623-F632 VanDerWaalsContact O-CD1 3.27Å; T623-F632 WeakPolarHBondContact O-CD1 3.27Å; W625-F632 HydrophobicContact CB-CD1 4.01Å; W625-F632 HydrophobicContact CB-CE1 3.9Å; W625-F632 HydrophobicContact CD2-CE1 4.48Å; W625-F632 HydrophobicContact CE3-CD1 4.04Å; W625-F632 AromaticContact CE3-CE1 3.92Å; W625-F632 HydrophobicContact CE3-CE1 3.92Å; W625-F632 HydrophobicContact CE3-CG 4.42Å; W625-F632 HydrophobicContact CE3-CZ 4.2Å; F632-I635 VanDerWaalsContact O-CG1 3.31Å; F632-I635 WeakPolarHBondContact O-CG1 3.44Å; F632-V646 HydrophobicContact CE1-CB 3.98Å; F632-V646 HydrophobicContact CE1-CG1 4.18Å; F632-V646 HydrophobicContact CZ-CB 4.45Å; F632-V646 HydrophobicContact CZ-CG1 4.5Å; F632-V646 WeakPolarHBondContact CZ-O 3.19Å; F632-M648 HydrophobicContact CE2-CB 3.95Å; F632-M648 HydrophobicContact CZ-CB 3.78Å
633	R	96.8	Very high	96.5	Very high	75 Å²	75	32.7 Å²	32.7	28%	0.283	16%	0.164	S	C	.	.	S	Bend	trans	-87.2	-22.9	172.9	-63.7	-60.6	-170.3	152.5	0.6	112.7	E478 E624 D626 I635	E478-R633 IonicContact OE1-CZ 3.53Å; E478-R633 VanDerWaalsContact OE1-CZ 3.25Å; E478-R633 IonicContact OE1-NH1 2.71Å; E478-R633 PolarHBondContact OE1-NH1 3.14Å; E478-R633 IonicContact OE1-NH2 3.56Å; E478-R633 PolarHBondContact OE1-NH2 2.8Å; E478-R633 IonicContact OE2-NH2 3.63Å; E624-R633 HydrophobicContact CB-CB 3.94Å; E624-R633 PolarHBondContact O-N 2.96Å; D626-R633 HydrophobicContact CB-CG 4.11Å; D626-R633 IonicContact OD2-CZ 2.67Å; D626-R633 VanDerWaalsContact OD2-CZ 3.28Å; D626-R633 IonicContact OD2-NE 3.51Å; D626-R633 PolarHBondContact OD2-NE 3Å; D626-R633 IonicContact OD2-NH2 2.84Å; D626-R633 PolarHBondContact OD2-NH2 2.85Å; R633-I635 PolarHBondContact O-N 2.67Å
634	N	97.2	Very high	96.3	Very high	20 Å²	20	37.3 Å²	37.3	11%	0.107	19%	0.185	C	C	.	.	S	Bend	trans	-74.3	72.6	155.2	-175.4	1.7	0	0	0	109.5	T623 G636 G637 L638	T623-N634 WeakPolarHBondContact OG1-CB 3.46Å; T623-N634 PolarHBondContact OG1-ND2 3.42Å; N634-G636 PolarHBondContact O-N 2.91Å; N634-G637 PolarHBondContact O-N 2.85Å; N634-G637 PolarHBondContact OD1-N 2.86Å; N634-L638 PolarHBondContact ND2-N 2.86Å; N634-L638 PolarHBondContact ND2-O 3.32Å; N634-L638 PolarHBondContact OD1-N 2.75Å
635	I	94.9	Very high	96.3	Very high	25 Å²	25	31.5 Å²	31.5	13%	0.128	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.4	-169.5	-68.4	172.3	0	0	0	112.9	L566 F568 F573 M631 F632 R633	L566-I635 HydrophobicContact CD1-CD1 4.4Å; F568-I635 HydrophobicContact CE1-CD1 4.31Å; F568-I635 HydrophobicContact CE1-CG2 4.27Å; F568-I635 HydrophobicContact CZ-CD1 3.84Å; F568-I635 HydrophobicContact CZ-CG2 4.36Å; F573-I635 HydrophobicContact CB-CG2 3.91Å; F573-I635 HydrophobicContact CD1-CG2 3.84Å; F573-I635 HydrophobicContact CD2-CG2 3.68Å; F573-I635 HydrophobicContact CE1-CG2 4.23Å; F573-I635 HydrophobicContact CE2-CG2 4.08Å; F573-I635 HydrophobicContact CG-CG2 3.54Å; F573-I635 HydrophobicContact CZ-CG2 4.32Å; M631-I635 HydrophobicContact CE-CD1 3.77Å; M631-I635 HydrophobicContact CE-CG1 3.9Å; F632-I635 VanDerWaalsContact O-CG1 3.31Å; F632-I635 WeakPolarHBondContact O-CG1 3.44Å; R633-I635 PolarHBondContact O-N 2.67Å
636	G	95.1	Very high	96.4	Very high	14 Å²	14	29.8 Å²	29.8	14%	0.144	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3	174.3	0	0	0	0	0	115.1	Y576 N634 L638 W793	Y576-G636 WeakPolarHBondContact OH-CA 3.46Å; Y576-G636 PolarHBondContact OH-N 2.81Å; N634-G636 PolarHBondContact O-N 2.91Å; G636-L638 PolarHBondContact O-N 2.91Å; G636-W793 WeakPolarHBondContact O-CZ2 3.46Å
637	G	96.4	Very high	96.4	Very high	19 Å²	19	28.6 Å²	28.6	20%	0.196	15%	0.145	C	C	.	.			trans	58.8	31.7	-174.8	0	0	0	0	0	113.4	N634 M639	N634-G637 PolarHBondContact O-N 2.85Å; N634-G637 PolarHBondContact OD1-N 2.86Å; G637-M639 VanDerWaalsContact O-CE 3.29Å; G637-M639 WeakPolarHBondContact O-CE 3.36Å; G637-M639 PolarHBondContact O-N 2.61Å; G637-M639 VanDerWaalsContact O-N 3.13Å
638	L	98.1	Very high	96.6	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	14%	0.135	C	C	.	.			trans	-73.9	104.5	-178.2	-58.8	-169.9	0	0	0	109.4	L525 Y528 Y529 F532 Y576 N634 G636 W793	L525-L638 HydrophobicContact CD2-CB 4.04Å; L525-L638 HydrophobicContact CD2-CD1 3.69Å; L525-L638 HydrophobicContact CD2-CG 4.49Å; Y528-L638 HydrophobicContact CD1-CD2 3.77Å; Y528-L638 HydrophobicContact CD2-CB 3.8Å; Y528-L638 HydrophobicContact CD2-CD1 4.36Å; Y528-L638 HydrophobicContact CD2-CD2 4.19Å; Y528-L638 HydrophobicContact CD2-CG 4.33Å; Y528-L638 HydrophobicContact CE1-CD2 3.81Å; Y528-L638 HydrophobicContact CE2-CB 3.81Å; Y528-L638 HydrophobicContact CE2-CD2 4.25Å; Y528-L638 HydrophobicContact CG-CB 4.35Å; Y528-L638 HydrophobicContact CG-CD1 4.2Å; Y528-L638 HydrophobicContact CG-CD2 3.95Å; Y528-L638 HydrophobicContact CG-CG 4.39Å; Y529-L638 HydrophobicContact CE1-CD1 3.9Å; F532-L638 HydrophobicContact CE2-CD1 4.2Å; F532-L638 HydrophobicContact CE2-CD2 4.35Å; F532-L638 HydrophobicContact CZ-CD2 3.91Å; Y576-L638 HydrophobicContact CD2-CD1 4.42Å; Y576-L638 HydrophobicContact CE1-CD1 4.33Å; Y576-L638 HydrophobicContact CE2-CD1 3.6Å; Y576-L638 HydrophobicContact CE2-CD2 4Å; Y576-L638 HydrophobicContact CE2-CG 3.87Å; Y576-L638 WeakPolarHBondContact OH-CD1 3.48Å; N634-L638 PolarHBondContact ND2-N 2.86Å; N634-L638 PolarHBondContact ND2-O 3.32Å; N634-L638 PolarHBondContact OD1-N 2.75Å; G636-L638 PolarHBondContact O-N 2.91Å; L638-W793 HydrophobicContact CD2-CH2 4.42Å; L638-W793 HydrophobicContact CD2-CZ2 3.65Å
639	M	98.4	Very high	96.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-127.5	143.9	-172.4	-65.5	174.8	-75.9	0	0	112.2	Y528 T623 G637 D643 T645 F716 I718 V719	Y528-M639 PolarHBondContact OH-O 2.77Å; T623-M639 HydrophobicContact CG2-CG 4Å; T623-M639 HydrophobicContact CG2-SD 3.96Å; G637-M639 VanDerWaalsContact O-CE 3.29Å; G637-M639 WeakPolarHBondContact O-CE 3.36Å; G637-M639 PolarHBondContact O-N 2.61Å; G637-M639 VanDerWaalsContact O-N 3.13Å; M639-D643 HydrophobicContact CB-CB 4.31Å; M639-D643 HydrophobicContact CG-CB 4.44Å; M639-T645 HydrophobicContact SD-CG2 3.89Å; M639-F716 HydrophobicContact CE-CB 4.17Å; M639-F716 HydrophobicContact CE-CD2 3.7Å; M639-F716 HydrophobicContact CE-CG 4.29Å; M639-I718 HydrophobicContact CB-CD1 3.81Å; M639-V719 PolarHBondContact O-N 2.82Å
640	G	98.2	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.			trans	-122.4	-174.3	175.8	0	0	0	0	0	112.3	M642 D643	G640-M642 PolarHBondContact O-N 2.84Å; G640-M642 VanDerWaalsContact O-N 3.1Å; G640-D643 PolarHBondContact N-OD2 2.94Å; G640-D643 PolarHBondContact O-N 3.4Å
641	P	97.9	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.5	-164.9	-21.6	35.1	0	0	0	114.9	P694 L695 P697 I718 V719 L721 L737	P641-P694 HydrophobicContact CB-CB 3.81Å; P641-P694 CarbonylContact O-C 3.5Å; P641-P694 VanDerWaalsContact O-CA 3.23Å; P641-P694 WeakPolarHBondContact O-CA 3.31Å; P641-L695 PolarHBondContact O-N 3.18Å; P641-P697 HydrophobicContact CG-CG 4.23Å; P641-I718 HydrophobicContact CB-CG2 4.43Å; P641-I718 HydrophobicContact CG-CG2 4.32Å; P641-V719 WeakPolarHBondContact CD-O 3.48Å; P641-L721 HydrophobicContact CG-CG 4.26Å; P641-L737 WeakPolarHBondContact CB-O 3.44Å
642	M	97	Very high	96.4	Very high	97 Å²	97	27.2 Å²	27.2	48%	0.478	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	11.9	-176.2	-57.7	-55.5	-58.2	0	0	113.4	G640 Q693 P694 L737	G640-M642 PolarHBondContact O-N 2.84Å; G640-M642 VanDerWaalsContact O-N 3.1Å; M642-Q693 HydrophobicContact CE-CB 3.98Å; M642-Q693 PolarHBondContact O-NE2 3.27Å; M642-Q693 HydrophobicContact SD-CB 4.31Å; M642-P694 HydrophobicContact SD-CB 3.89Å; M642-L737 HydrophobicContact CG-CD2 4.05Å; M642-L737 HydrophobicContact SD-CD2 4.01Å
643	D	96.8	Very high	96.1	Very high	42 Å²	42	33.4 Å²	33.4	23%	0.225	17%	0.165	C	C	.	.			trans	-82	148.8	179.1	-81.3	-68.5	0	0	0	113.1	T623 M639 G640 T645 Q693	T623-D643 HydrophobicContact CG2-CB 4.08Å; M639-D643 HydrophobicContact CB-CB 4.31Å; M639-D643 HydrophobicContact CG-CB 4.44Å; G640-D643 PolarHBondContact N-OD2 2.94Å; G640-D643 PolarHBondContact O-N 3.4Å; D643-T645 PolarHBondContact O-N 2.86Å; D643-Q693 PolarHBondContact O-NE2 2.81Å; D643-Q693 VanDerWaalsContact O-NE2 3.11Å
644	E	93.9	Very high	95.8	Very high	106 Å²	106	31.3 Å²	31.3	50%	0.495	17%	0.166	S	C	.	.			trans	-96.7	84.4	175.8	-76.6	-170.9	-141.6	0	0	111.4	R688	E644-R688 WeakPolarHBondContact OE2-CD 3.31Å; E644-R688 IonicContact OE2-CZ 3.25Å; E644-R688 VanDerWaalsContact OE2-CZ 3.23Å; E644-R688 IonicContact OE2-NE 3.75Å; E644-R688 PolarHBondContact OE2-NE 3.16Å; E644-R688 IonicContact OE2-NH1 2.81Å; E644-R688 PolarHBondContact OE2-NH1 2.92Å
645	T	95.8	Very high	95.5	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	19%	0.192	C	C	.	.			trans	-59.4	137.3	-177.3	57.6	0	0	0	0	113.5	M639 D643 W663 L695 F716 I718	M639-T645 HydrophobicContact SD-CG2 3.89Å; D643-T645 PolarHBondContact O-N 2.86Å; T645-W663 WeakPolarHBondContact OG1-CZ3 3.09Å; T645-L695 HydrophobicContact CG2-CD1 3.75Å; T645-F716 HydrophobicContact CG2-CE2 3.91Å; T645-F716 HydrophobicContact CG2-CZ 4.35Å; T645-I718 HydrophobicContact CG2-CD1 4.23Å
646	V	97.2	Very high	95.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.3	174.8	-179.2	0	0	0	0	109	I621 G622 F632 H686 R688	I621-V646 WeakPolarHBondContact CA-O 2.98Å; G622-V646 PolarHBondContact N-O 2.93Å; G622-V646 PolarHBondContact O-N 2.89Å; F632-V646 HydrophobicContact CE1-CB 3.98Å; F632-V646 HydrophobicContact CE1-CG1 4.18Å; F632-V646 HydrophobicContact CZ-CB 4.45Å; F632-V646 HydrophobicContact CZ-CG1 4.5Å; F632-V646 WeakPolarHBondContact CZ-O 3.19Å; V646-H686 HydrophobicContact CG1-CB 4.31Å; V646-R688 HydrophobicContact CG2-CB 4.09Å; V646-R688 HydrophobicContact CG2-CG 4.32Å
647	A	96.4	Very high	95.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.5	169.8	0	0	0	0	0	110.7	I621 Q649 W663 H686 Y687	I621-A647 HydrophobicContact CD1-CB 3.48Å; I621-A647 VanDerWaalsContact CD1-CB 3.48Å; A647-Q649 PolarHBondContact O-NE2 2.92Å; A647-W663 HydrophobicContact CB-CH2 4.13Å; A647-W663 HydrophobicContact CB-CZ2 3.46Å; A647-W663 VanDerWaalsContact CB-CZ2 3.46Å; A647-H686 CarbonylContact O-C 3.58Å; A647-H686 WeakPolarHBondContact O-CA 3.31Å; A647-Y687 PolarHBondContact N-O 2.78Å; A647-Y687 PolarHBondContact O-N 2.87Å
648	M	96.7	Very high	95.2	Very high	6 Å²	6	41 Å²	41	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.2	171.3	179.1	-86.4	-73.6	0	0	110.6	F618 A619 E620 W625 F632 K650 F684 T685 H686	F618-M648 HydrophobicContact CD1-CE 4.25Å; F618-M648 HydrophobicContact CE1-CE 4.18Å; A619-M648 VanDerWaalsContact CA-O 3.27Å; A619-M648 WeakPolarHBondContact CA-O 3.46Å; A619-M648 WeakPolarHBondContact CB-O 3.44Å; E620-M648 HydrophobicContact CB-CE 4.06Å; E620-M648 PolarHBondContact N-O 2.71Å; E620-M648 PolarHBondContact O-N 2.68Å; E620-M648 WeakPolarHBondContact OE2-CE 3.44Å; W625-M648 HydrophobicContact CE3-CG 4.38Å; W625-M648 HydrophobicContact CH2-CG 3.59Å; W625-M648 HydrophobicContact CZ2-CG 4.37Å; W625-M648 HydrophobicContact CZ3-CB 4.17Å; W625-M648 HydrophobicContact CZ3-CE 4.26Å; W625-M648 HydrophobicContact CZ3-CG 3.6Å; F632-M648 HydrophobicContact CE2-CB 3.95Å; F632-M648 HydrophobicContact CZ-CB 3.78Å; M648-K650 HydrophobicContact SD-CB 4.3Å; M648-F684 HydrophobicContact CE-CE1 4.44Å; M648-F684 HydrophobicContact CG-CD1 4.26Å; M648-F684 HydrophobicContact SD-CD1 3.79Å; M648-F684 HydrophobicContact SD-CE1 4.06Å; M648-T685 WeakPolarHBondContact CA-O 3.33Å; M648-H686 HydrophobicContact CB-CB 4.44Å
649	Q	96	Very high	95	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.8	173.2	-48.5	75.9	48.3	0	0	109.5	L616 A619 A647 W651 F684 T685 I704	L616-Q649 HydrophobicContact CD1-CB 4.09Å; A619-Q649 HydrophobicContact CB-CB 4.43Å; A619-Q649 HydrophobicContact CB-CG 4.16Å; A647-Q649 PolarHBondContact O-NE2 2.92Å; Q649-W651 HydrophobicContact CB-CZ2 3.55Å; Q649-W651 HydrophobicContact CG-CZ2 4.08Å; Q649-W651 PolarHBondContact O-NE1 3.2Å; Q649-F684 CarbonylContact O-C 3.57Å; Q649-F684 WeakPolarHBondContact O-CA 3.37Å; Q649-T685 PolarHBondContact N-O 3.44Å; Q649-T685 PolarHBondContact O-N 3.11Å; Q649-T685 PolarHBondContact OE1-O 3.08Å; Q649-T685 PolarHBondContact OE1-OG1 3.35Å; Q649-I704 HydrophobicContact CG-CD1 3.84Å
650	K	95.7	Very high	94.9	Very high	74 Å²	74	41.7 Å²	41.7	32%	0.322	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.1	-179.8	-172.2	-172.2	-179.3	-148	0	110.7	Q617 F618 M648 E683 F684	Q617-K650 HydrophobicContact CB-CD 4.48Å; Q617-K650 HydrophobicContact CB-CG 4.48Å; Q617-K650 PolarHBondContact N-O 3.09Å; F618-K650 HydrophobicContact CB-CB 4.31Å; F618-K650 PolarHBondContact O-N 3.06Å; M648-K650 HydrophobicContact SD-CB 4.3Å; K650-E683 WeakPolarHBondContact CA-O 3.26Å; K650-F684 HydrophobicContact CB-CD1 4.24Å; K650-F684 HydrophobicContact CB-CE1 4.07Å; K650-F684 HydrophobicContact CD-CE1 4.09Å; K650-F684 HydrophobicContact CD-CZ 3.89Å; K650-F684 HydrophobicContact CG-CD1 4.23Å; K650-F684 HydrophobicContact CG-CE1 3.81Å; K650-F684 HydrophobicContact CG-CE2 4.2Å; K650-F684 HydrophobicContact CG-CZ 3.79Å
651	W	94.4	Very high	94.8	Very high	6 Å²	6	41.8 Å²	41.8	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.5	-164.9	-56.7	102.2	0	0	0	113.3	F613 R615 L616 Q649 V659 I678 A682 E683 T685	F613-W651 HydrophobicContact CE1-CZ3 4.06Å; F613-W651 HydrophobicContact CZ-CH2 4.33Å; F613-W651 AromaticContact CZ-CZ3 3.75Å; F613-W651 HydrophobicContact CZ-CZ3 3.75Å; R615-W651 HydrophobicContact CB-CE3 3.99Å; R615-W651 HydrophobicContact CB-CZ3 4.46Å; R615-W651 CarbonylContact O-C 3.57Å; R615-W651 WeakPolarHBondContact O-CA 3.43Å; L616-W651 HydrophobicContact CB-CE3 4.07Å; L616-W651 HydrophobicContact CB-CH2 4.27Å; L616-W651 HydrophobicContact CB-CZ3 3.6Å; L616-W651 HydrophobicContact CD1-CD2 4.43Å; L616-W651 HydrophobicContact CD1-CE3 4.14Å; L616-W651 HydrophobicContact CD1-CH2 3.79Å; L616-W651 HydrophobicContact CD1-CZ2 4.11Å; L616-W651 HydrophobicContact CD1-CZ3 3.82Å; L616-W651 HydrophobicContact CG-CZ3 4.28Å; Q649-W651 HydrophobicContact CB-CZ2 3.55Å; Q649-W651 HydrophobicContact CG-CZ2 4.08Å; Q649-W651 PolarHBondContact O-NE1 3.2Å; W651-V659 HydrophobicContact CH2-CG1 4.29Å; W651-V659 HydrophobicContact CH2-CG2 3.9Å; W651-V659 HydrophobicContact CZ2-CG2 4.21Å; W651-I678 HydrophobicContact CB-CG2 4.33Å; W651-I678 HydrophobicContact CD2-CD1 4.44Å; W651-I678 HydrophobicContact CD2-CG1 4.32Å; W651-I678 HydrophobicContact CD2-CG2 3.67Å; W651-I678 HydrophobicContact CE3-CG2 4.14Å; W651-I678 HydrophobicContact CG-CG2 3.73Å; W651-I678 HydrophobicContact CH2-CD1 4.24Å; W651-I678 HydrophobicContact CH2-CG1 4.01Å; W651-I678 HydrophobicContact CZ2-CD1 3.47Å; W651-I678 VanDerWaalsContact CZ2-CD1 3.47Å; W651-I678 HydrophobicContact CZ2-CG1 3.71Å; W651-I678 HydrophobicContact CZ3-CG1 4.41Å; W651-A682 WeakPolarHBondContact CB-O 3.47Å; W651-E683 PolarHBondContact N-O 2.84Å; W651-T685 PolarHBondContact NE1-OG1 3.1Å
652	N	93.4	Very high	94.7	Very high	66 Å²	66	41.8 Å²	41.8	35%	0.353	22%	0.224	S	C	.	.			trans	-68.2	153.1	157.3	-71.5	-46.2	0	0	0	110.1	S614 R615 Q617	S614-N652 PolarHBondContact O-ND2 3.42Å; S614-N652 VanDerWaalsContact O-ND2 3.14Å; R615-N652 VanDerWaalsContact CZ-O 3.31Å; R615-N652 PolarHBondContact NE-O 2.93Å; R615-N652 PolarHBondContact NH2-O 3.44Å; R615-N652 PolarHBondContact O-N 2.84Å; Q617-N652 PolarHBondContact NE2-OD1 3.29Å
653	K	91.2	Very high	94.7	Very high	136 Å²	136	37.1 Å²	37.1	59%	0.591	20%	0.202	S	C	*	.	S	Bend	trans	-68.7	146.6	165.5	-67.6	169.6	-177	164.9	0	109.4	A680 E683	K653-A680 WeakPolarHBondContact CA-O 3.4Å; K653-E683 WeakPolarHBondContact CE-OE1 3.37Å; K653-E683 IonicContact NZ-OE1 2.69Å; K653-E683 PolarHBondContact NZ-OE1 2.79Å
654	G	90.8	Very high	94.7	Very high	30 Å²	30	35.3 Å²	35.3	31%	0.309	19%	0.192	S	C	.	.			trans	173.9	-164.4	-173.3	0	0	0	0	0	111.7	A680	G654-A680 PolarHBondContact N-O 3.45Å; G654-A680 WeakPolarHBondContact O-CA 3.24Å; G654-A680 WeakPolarHBondContact O-CB 3.38Å
655	P	91.6	Very high	94.7	Very high	101 Å²	101	30.4 Å²	30.4	66%	0.656	17%	0.169	S	C	*	.	S	Bend	trans	-69.7	155.4	173.3	29.8	-35	0	0	0	111.9	R615 V657	R615-P655 WeakPolarHBondContact CD-O 3.48Å; R615-P655 PolarHBondContact NH1-O 3Å; P655-V657 PolarHBondContact O-N 3.03Å
656	N	93.3	Very high	94.7	Very high	91 Å²	91	32 Å²	32	49%	0.487	18%	0.179	S	C	.	.			trans	-55.6	135.5	170.1	-81.4	35.3	0	0	0	110.3	I678 D679 A680	N656-I678 WeakPolarHBondContact CA-O 3.44Å; N656-D679 PolarHBondContact ND2-OD1 2.89Å; N656-D679 VanDerWaalsContact ND2-OD1 3.11Å; N656-A680 WeakPolarHBondContact OD1-CB 3.31Å; N656-A680 PolarHBondContact OD1-N 2.95Å
657	V	92.6	Very high	94.5	Very high	21 Å²	21	31.9 Å²	31.9	13%	0.127	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	146.8	179.4	69.3	0	0	0	0	111.1	F613 P655 I678 H706	F613-V657 HydrophobicContact CD2-CG2 4.09Å; F613-V657 HydrophobicContact CE2-CB 4.36Å; F613-V657 HydrophobicContact CE2-CG1 3.81Å; F613-V657 HydrophobicContact CE2-CG2 3.65Å; F613-V657 HydrophobicContact CZ-CG1 4.32Å; P655-V657 PolarHBondContact O-N 3.03Å; V657-I678 HydrophobicContact CG1-CB 4.1Å; V657-I678 HydrophobicContact CG1-CG1 4.42Å; V657-I678 PolarHBondContact N-O 3Å; V657-I678 WeakPolarHBondContact O-CB 3.45Å; V657-I678 PolarHBondContact O-N 3.04Å; V657-H706 WeakPolarHBondContact CG2-NE2 3.34Å
658	T	94.1	Very high	94.3	Very high	69 Å²	69	33.9 Å²	33.9	42%	0.423	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.7	175.1	-54.7	0	0	0	0	109.7	D675 I676 H706	T658-D675 HydrophobicContact CG2-CB 3.86Å; T658-I676 WeakPolarHBondContact CA-O 3.41Å; T658-H706 PolarHBondContact O-CD2 3.34Å
659	V	94.8	Very high	94.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.2	170.6	-63.7	0	0	0	0	111.2	F613 W651 D675 I676 I678 I704 L705 H706	F613-V659 HydrophobicContact CE2-CG1 3.63Å; F613-V659 HydrophobicContact CZ-CG1 3.47Å; F613-V659 VanDerWaalsContact CZ-CG1 3.47Å; W651-V659 HydrophobicContact CH2-CG1 4.29Å; W651-V659 HydrophobicContact CH2-CG2 3.9Å; W651-V659 HydrophobicContact CZ2-CG2 4.21Å; V659-D675 WeakPolarHBondContact O-CA 3.41Å; V659-I676 HydrophobicContact CG2-CD1 3.91Å; V659-I676 HydrophobicContact CG2-CG1 3.51Å; V659-I676 PolarHBondContact N-O 3.16Å; V659-I676 PolarHBondContact O-N 2.69Å; V659-I678 HydrophobicContact CG2-CD1 4.43Å; V659-I678 HydrophobicContact CG2-CG1 4.32Å; V659-I704 HydrophobicContact CB-CG2 3.99Å; V659-I704 HydrophobicContact CG1-CG2 4.35Å; V659-I704 HydrophobicContact CG2-CG2 4.03Å; V659-L705 CarbonylContact C-O 3.51Å; V659-L705 VanDerWaalsContact CA-O 3.32Å; V659-L705 WeakPolarHBondContact CA-O 3.42Å; V659-L705 VanDerWaalsContact CB-O 3.31Å; V659-L705 WeakPolarHBondContact CB-O 3.4Å; V659-H706 HydrophobicContact CG1-CB 4.4Å
660	T	95.1	Very high	94	Very high	19 Å²	19	34.4 Å²	34.4	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.5	173.4	-46	0	0	0	0	109	V662 T673 D675 L705	T660-V662 HydrophobicContact CG2-CG2 4.16Å; T660-T673 WeakPolarHBondContact CG2-OG1 3.49Å; T660-D675 WeakPolarHBondContact CA-OD1 3.46Å; T660-D675 VanDerWaalsContact CB-OD1 3.23Å; T660-D675 WeakPolarHBondContact CB-OD1 3.26Å; T660-D675 WeakPolarHBondContact CG2-OD1 3.41Å; T660-D675 PolarHBondContact OG1-OD1 2.92Å; T660-L705 PolarHBondContact N-O 3.5Å; T660-L705 PolarHBondContact O-N 2.94Å
661	V	96.4	Very high	94	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.7	174.9	-174.4	0	0	0	0	108.8	T673 Y674 I676 V702 R703	V661-T673 WeakPolarHBondContact O-CA 3.14Å; V661-Y674 HydrophobicContact CB-CD2 4.22Å; V661-Y674 HydrophobicContact CB-CE1 4.43Å; V661-Y674 HydrophobicContact CB-CE2 3.67Å; V661-Y674 HydrophobicContact CG1-CE2 4.23Å; V661-Y674 HydrophobicContact CG2-CE2 3.96Å; V661-Y674 PolarHBondContact N-O 3.2Å; V661-Y674 PolarHBondContact O-N 2.04Å; V661-Y674 VanDerWaalsContact O-N 3.12Å; V661-I676 HydrophobicContact CG2-CD1 3.88Å; V661-I676 HydrophobicContact CG2-CG1 4.18Å; V661-V702 HydrophobicContact CG1-CG1 3.58Å; V661-R703 WeakPolarHBondContact CA-O 3.42Å
662	V	96.3	Very high	94	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.1	-176.7	-170.5	0	0	0	0	109.7	T660 I664 I670 V702 R703 L705 L758	T660-V662 HydrophobicContact CG2-CG2 4.16Å; V662-I664 HydrophobicContact CG1-CG1 4.21Å; V662-I670 HydrophobicContact CG1-CG1 4.48Å; V662-I670 HydrophobicContact CG1-CG2 3.74Å; V662-V702 CarbonylContact O-C 3.6Å; V662-V702 WeakPolarHBondContact O-CA 3.42Å; V662-R703 PolarHBondContact N-O 3.47Å; V662-R703 PolarHBondContact O-N 3.13Å; V662-L705 HydrophobicContact CG2-CD1 3.84Å; V662-L705 HydrophobicContact CG2-CG 4.4Å; V662-L758 HydrophobicContact CB-CD1 4.43Å; V662-L758 HydrophobicContact CG1-CD1 3.86Å; V662-L758 HydrophobicContact CG2-CD1 3.97Å
663	W	97.1	Very high	94.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.6	176.5	-67	66.5	0	0	0	110.3	I621 T645 A647 I670 A671 A672 Y674 P689 L691 V702 F716	I621-W663 HydrophobicContact CD1-CH2 4.2Å; I621-W663 HydrophobicContact CD1-CZ2 4.39Å; I621-W663 HydrophobicContact CG2-CH2 3.81Å; I621-W663 HydrophobicContact CG2-CZ3 3.91Å; T645-W663 WeakPolarHBondContact OG1-CZ3 3.09Å; A647-W663 HydrophobicContact CB-CH2 4.13Å; A647-W663 HydrophobicContact CB-CZ2 3.46Å; A647-W663 VanDerWaalsContact CB-CZ2 3.46Å; W663-I670 CarbonylContact O-C 3.56Å; W663-I670 WeakPolarHBondContact O-CA 3.44Å; W663-A671 HydrophobicContact CB-CB 4.35Å; W663-A671 PolarHBondContact O-N 3.14Å; W663-A672 HydrophobicContact CB-CB 4.28Å; W663-A672 HydrophobicContact CG-CB 4.38Å; W663-A672 PolarHBondContact N-O 2.88Å; W663-Y674 AromaticContact CD1-CE1 3.76Å; W663-Y674 AromaticContact NE1-CE1 3.42Å; W663-Y674 AromaticContact NE1-CZ 3.59Å; W663-Y674 PolarHBondContact NE1-OH 3.17Å; W663-P689 HydrophobicContact CD2-CG 4.18Å; W663-P689 HydrophobicContact CH2-CG 3.95Å; W663-P689 HydrophobicContact CZ2-CG 3.52Å; W663-P689 HydrophobicContact CZ3-CG 4.44Å; W663-L691 HydrophobicContact CE3-CD1 4.2Å; W663-L691 HydrophobicContact CZ3-CD1 4.41Å; W663-V702 HydrophobicContact CD2-CG2 3.65Å; W663-V702 HydrophobicContact CE3-CG2 3.7Å; W663-V702 HydrophobicContact CG-CG2 4.03Å; W663-V702 HydrophobicContact CZ3-CG2 4.24Å; W663-F716 AromaticContact CE3-CE1 3.93Å; W663-F716 HydrophobicContact CE3-CE1 3.93Å; W663-F716 AromaticContact CE3-CZ 3.94Å; W663-F716 HydrophobicContact CE3-CZ 3.94Å; W663-F716 AromaticContact CZ3-CE1 3.8Å; W663-F716 HydrophobicContact CZ3-CE1 3.8Å; W663-F716 AromaticContact CZ3-CZ 3.65Å; W663-F716 HydrophobicContact CZ3-CZ 3.65Å
664	I	95.6	Very high	94.3	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.8	-172.7	-47.5	163.6	0	0	0	108.4	V662 V669 N701 R703 I760	V662-I664 HydrophobicContact CG1-CG1 4.21Å; I664-V669 WeakPolarHBondContact CA-O 3.44Å; I664-N701 WeakPolarHBondContact CA-O 3.43Å; I664-N701 HydrophobicContact CB-CB 4.29Å; I664-N701 WeakPolarHBondContact CB-O 3.32Å; I664-N701 PolarHBondContact N-O 3.12Å; I664-N701 PolarHBondContact O-N 3.04Å; I664-R703 HydrophobicContact CD1-CG 3.99Å; I664-I760 HydrophobicContact CD1-CD1 3.49Å; I664-I760 VanDerWaalsContact CD1-CD1 3.49Å; I664-I760 HydrophobicContact CD1-CG1 4.29Å; I664-I760 HydrophobicContact CG1-CD1 3.98Å; I664-I760 HydrophobicContact CG2-CG2 4.1Å
665	D	95.3	Very high	94.5	Very high	3 Å²	3	28 Å²	28	2%	0.016	16%	0.161	C	C	.	.			trans	-81.5	168.6	-179.9	100.2	-22	0	0	0	112.8	T667 N668 V669 R696 W700 Y746	D665-T667 VanDerWaalsContact CG-OG1 3.23Å; D665-T667 PolarHBondContact O-N 3.38Å; D665-T667 VanDerWaalsContact OD1-C 3.31Å; D665-T667 VanDerWaalsContact OD1-CA 3.28Å; D665-T667 WeakPolarHBondContact OD1-CA 3.26Å; D665-T667 WeakPolarHBondContact OD1-CB 3.39Å; D665-T667 PolarHBondContact OD1-N 2.04Å; D665-T667 PolarHBondContact OD1-OG1 3.49Å; D665-T667 PolarHBondContact OD2-OG1 3.03Å; D665-T667 VanDerWaalsContact OD2-OG1 3.08Å; D665-N668 PolarHBondContact O-N 3.48Å; D665-N668 PolarHBondContact OD1-N 3.29Å; D665-V669 PolarHBondContact N-O 2.78Å; D665-V669 WeakPolarHBondContact OD1-CB 3.26Å; D665-V669 PolarHBondContact OD1-N 3.31Å; D665-R696 IonicContact OD2-CZ 3.95Å; D665-R696 IonicContact OD2-NH1 2.67Å; D665-R696 PolarHBondContact OD2-NH1 2.78Å; D665-W700 HydrophobicContact CB-CD2 4.24Å; D665-W700 HydrophobicContact CB-CE3 4.15Å; D665-W700 HydrophobicContact CB-CH2 3.79Å; D665-W700 HydrophobicContact CB-CZ2 3.85Å; D665-W700 HydrophobicContact CB-CZ3 3.94Å; D665-Y746 HydrophobicContact CB-CE2 3.87Å; D665-Y746 WeakPolarHBondContact OD2-CE2 3.34Å; D665-Y746 PolarHBondContact OD2-OH 2.85Å
666	P	95.4	Very high	94.7	Very high	36 Å²	36	24.5 Å²	24.5	23%	0.234	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-2.7	-177.9	-23.1	35.1	0	0	0	115.3	W700	P666-W700 HydrophobicContact CG-CG 4.28Å
667	T	93.1	Very high	94.8	Very high	2 Å²	2	25 Å²	25	1%	0.012	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	17	176.8	51	0	0	0	0	112.9	D665 V669 R696 V767 A770	D665-T667 VanDerWaalsContact CG-OG1 3.23Å; D665-T667 PolarHBondContact O-N 3.38Å; D665-T667 VanDerWaalsContact OD1-C 3.31Å; D665-T667 VanDerWaalsContact OD1-CA 3.28Å; D665-T667 WeakPolarHBondContact OD1-CA 3.26Å; D665-T667 WeakPolarHBondContact OD1-CB 3.39Å; D665-T667 PolarHBondContact OD1-N 2.04Å; D665-T667 PolarHBondContact OD1-OG1 3.49Å; D665-T667 PolarHBondContact OD2-OG1 3.03Å; D665-T667 VanDerWaalsContact OD2-OG1 3.08Å; T667-V669 VanDerWaalsContact C-N 3.27Å; T667-V669 PolarHBondContact O-N 3.15Å; T667-R696 PolarHBondContact OG1-NH1 3.1Å; T667-V767 HydrophobicContact CG2-CG2 4.41Å; T667-A770 HydrophobicContact CG2-CB 3.65Å
668	N	92.3	Very high	94.9	Very high	44 Å²	44	24 Å²	24	24%	0.235	13%	0.133	C	C	.	.	S	Bend	trans	65.1	21.2	-178.9	-74.9	-10.3	0	0	0	114.8	D665 N755 I760 P761	D665-N668 PolarHBondContact O-N 3.48Å; D665-N668 PolarHBondContact OD1-N 3.29Å; N668-N755 PolarHBondContact O-ND2 2.98Å; N668-I760 HydrophobicContact CB-CG2 3.72Å; N668-P761 PolarHBondContact ND2-O 2.9Å
669	V	91.8	Very high	94.8	Very high	13 Å²	13	24.7 Å²	24.7	8%	0.079	13%	0.134	C	C	.	.			trans	-79.2	125.3	168.9	-178.2	0	0	0	0	109	I664 D665 T667 A671 Y746	I664-V669 WeakPolarHBondContact CA-O 3.44Å; D665-V669 PolarHBondContact N-O 2.78Å; D665-V669 WeakPolarHBondContact OD1-CB 3.26Å; D665-V669 PolarHBondContact OD1-N 3.31Å; T667-V669 VanDerWaalsContact C-N 3.27Å; T667-V669 PolarHBondContact O-N 3.15Å; V669-A671 PolarHBondContact O-N 3.27Å; V669-Y746 HydrophobicContact CB-CE2 4.38Å; V669-Y746 HydrophobicContact CG1-CD2 4.23Å; V669-Y746 HydrophobicContact CG1-CE2 4.16Å
670	I	94.3	Very high	94.7	Very high	7 Å²	7	26.5 Å²	26.5	4%	0.036	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	110	171.5	-60.1	170.6	0	0	0	107.9	V662 W663 F751 L754 L758 I760	V662-I670 HydrophobicContact CG1-CG1 4.48Å; V662-I670 HydrophobicContact CG1-CG2 3.74Å; W663-I670 CarbonylContact O-C 3.56Å; W663-I670 WeakPolarHBondContact O-CA 3.44Å; I670-F751 HydrophobicContact CB-CB 3.91Å; I670-F751 HydrophobicContact CG2-CB 3.59Å; I670-F751 HydrophobicContact CG2-CD2 4.34Å; I670-F751 HydrophobicContact CG2-CG 4.17Å; I670-L754 HydrophobicContact CD1-CB 3.74Å; I670-L758 HydrophobicContact CD1-CD1 4.19Å; I670-I760 HydrophobicContact CD1-CD1 4.05Å; I670-I760 HydrophobicContact CG1-CD1 4.11Å
671	A	94.4	Very high	94.6	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-37.2	-173.7	0	0	0	0	0	112.8	W663 V669 L691 W700 Y746	W663-A671 HydrophobicContact CB-CB 4.35Å; W663-A671 PolarHBondContact O-N 3.14Å; V669-A671 PolarHBondContact O-N 3.27Å; A671-L691 HydrophobicContact CB-CD2 4.14Å; A671-W700 HydrophobicContact CB-CH2 3.98Å; A671-W700 HydrophobicContact CB-CZ3 3.63Å; A671-Y746 HydrophobicContact CB-CD1 4.36Å; A671-Y746 HydrophobicContact CB-CD2 3.47Å; A671-Y746 VanDerWaalsContact CB-CD2 3.47Å; A671-Y746 HydrophobicContact CB-CE2 4.11Å; A671-Y746 HydrophobicContact CB-CG 3.61Å
672	A	95.6	Very high	94.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.7	176.4	0	0	0	0	0	110.5	W663 P689 L691 M747	W663-A672 HydrophobicContact CB-CB 4.28Å; W663-A672 HydrophobicContact CG-CB 4.38Å; W663-A672 PolarHBondContact N-O 2.88Å; A672-P689 HydrophobicContact CB-CB 4.18Å; A672-L691 HydrophobicContact CB-CD2 3.94Å; A672-M747 HydrophobicContact CB-SD 3.62Å
673	T	95.4	Very high	94.3	Very high	32 Å²	32	33.8 Å²	33.8	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.7	162.3	-168.3	0	0	0	0	109.7	T660 V661 F751 L754	T660-T673 WeakPolarHBondContact CG2-OG1 3.49Å; V661-T673 WeakPolarHBondContact O-CA 3.14Å; T673-F751 HydrophobicContact CG2-CD1 3.53Å; T673-F751 HydrophobicContact CG2-CE1 3.57Å; T673-F751 HydrophobicContact CG2-CG 4.24Å; T673-F751 HydrophobicContact CG2-CZ 4.31Å; T673-L754 HydrophobicContact CG2-CD1 3.84Å
674	Y	95.2	Very high	94.2	Very high	36 Å²	36	36.3 Å²	36.3	14%	0.141	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	148.3	176.6	52.7	-91.8	0	0	0	111.2	V661 W663 I676 Y687 P689	V661-Y674 HydrophobicContact CB-CD2 4.22Å; V661-Y674 HydrophobicContact CB-CE1 4.43Å; V661-Y674 HydrophobicContact CB-CE2 3.67Å; V661-Y674 HydrophobicContact CG1-CE2 4.23Å; V661-Y674 HydrophobicContact CG2-CE2 3.96Å; V661-Y674 PolarHBondContact N-O 3.2Å; V661-Y674 PolarHBondContact O-N 2.04Å; V661-Y674 VanDerWaalsContact O-N 3.12Å; W663-Y674 AromaticContact CD1-CE1 3.76Å; W663-Y674 AromaticContact NE1-CE1 3.42Å; W663-Y674 AromaticContact NE1-CZ 3.59Å; W663-Y674 PolarHBondContact NE1-OH 3.17Å; Y674-I676 HydrophobicContact CD2-CG2 3.85Å; Y674-I676 HydrophobicContact CE2-CG2 3.96Å; Y674-Y687 HydrophobicContact CD1-CD1 4.11Å; Y674-Y687 AromaticContact CD1-CE1 3.92Å; Y674-Y687 HydrophobicContact CD1-CE1 3.92Å; Y674-Y687 HydrophobicContact CD2-CD1 4.17Å; Y674-Y687 HydrophobicContact CD2-CE1 4.46Å; Y674-Y687 AromaticContact CE1-CD1 3.61Å; Y674-Y687 HydrophobicContact CE1-CD1 3.61Å; Y674-Y687 AromaticContact CE1-CE1 3.81Å; Y674-Y687 HydrophobicContact CE1-CE1 3.81Å; Y674-Y687 AromaticContact CE2-CD1 3.69Å; Y674-Y687 HydrophobicContact CE2-CD1 3.69Å; Y674-Y687 HydrophobicContact CE2-CE1 4.37Å; Y674-Y687 HydrophobicContact CE2-CG 4.17Å; Y674-Y687 HydrophobicContact CG-CD1 4.38Å; Y674-Y687 HydrophobicContact CG-CE1 4.26Å; Y674-Y687 AromaticContact CZ-CD1 3.39Å; Y674-P689 HydrophobicContact CE1-CB 4.39Å
675	D	95.1	Very high	94.2	Very high	105 Å²	105	37.5 Å²	37.5	56%	0.561	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	140.2	172.3	-70.2	-30.1	0	0	0	110.8	T658 V659 T660	T658-D675 HydrophobicContact CG2-CB 3.86Å; V659-D675 WeakPolarHBondContact O-CA 3.41Å; T660-D675 WeakPolarHBondContact CA-OD1 3.46Å; T660-D675 VanDerWaalsContact CB-OD1 3.23Å; T660-D675 WeakPolarHBondContact CB-OD1 3.26Å; T660-D675 WeakPolarHBondContact CG2-OD1 3.41Å; T660-D675 PolarHBondContact OG1-OD1 2.92Å
676	I	94.9	Very high	94.2	Very high	28 Å²	28	41.9 Å²	41.9	14%	0.144	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.7	170.9	55	177.6	0	0	0	110.7	T658 V659 V661 Y674 I678	T658-I676 WeakPolarHBondContact CA-O 3.41Å; V659-I676 HydrophobicContact CG2-CD1 3.91Å; V659-I676 HydrophobicContact CG2-CG1 3.51Å; V659-I676 PolarHBondContact N-O 3.16Å; V659-I676 PolarHBondContact O-N 2.69Å; V661-I676 HydrophobicContact CG2-CD1 3.88Å; V661-I676 HydrophobicContact CG2-CG1 4.18Å; Y674-I676 HydrophobicContact CD2-CG2 3.85Å; Y674-I676 HydrophobicContact CE2-CG2 3.96Å; I676-I678 HydrophobicContact CB-CD1 4.3Å; I676-I678 HydrophobicContact CD1-CD1 3.75Å; I676-I678 HydrophobicContact CG1-CD1 3.8Å
677	L	95.3	Very high	94.2	Very high	103 Å²	103	44.9 Å²	44.9	54%	0.539	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.9	170.7	178.4	63.2	0	0	0	109.2
678	I	94.6	Very high	94.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	99.6	178.8	-46.3	-55	0	0	0	108.7	R615 W651 N656 V657 V659 I676 A682 T685	R615-I678 PolarHBondContact NH1-O 2.9Å; W651-I678 HydrophobicContact CB-CG2 4.33Å; W651-I678 HydrophobicContact CD2-CD1 4.44Å; W651-I678 HydrophobicContact CD2-CG1 4.32Å; W651-I678 HydrophobicContact CD2-CG2 3.67Å; W651-I678 HydrophobicContact CE3-CG2 4.14Å; W651-I678 HydrophobicContact CG-CG2 3.73Å; W651-I678 HydrophobicContact CH2-CD1 4.24Å; W651-I678 HydrophobicContact CH2-CG1 4.01Å; W651-I678 HydrophobicContact CZ2-CD1 3.47Å; W651-I678 VanDerWaalsContact CZ2-CD1 3.47Å; W651-I678 HydrophobicContact CZ2-CG1 3.71Å; W651-I678 HydrophobicContact CZ3-CG1 4.41Å; N656-I678 WeakPolarHBondContact CA-O 3.44Å; V657-I678 HydrophobicContact CG1-CB 4.1Å; V657-I678 HydrophobicContact CG1-CG1 4.42Å; V657-I678 PolarHBondContact N-O 3Å; V657-I678 WeakPolarHBondContact O-CB 3.45Å; V657-I678 PolarHBondContact O-N 3.04Å; V659-I678 HydrophobicContact CG2-CD1 4.43Å; V659-I678 HydrophobicContact CG2-CG1 4.32Å; I676-I678 HydrophobicContact CB-CD1 4.3Å; I676-I678 HydrophobicContact CD1-CD1 3.75Å; I676-I678 HydrophobicContact CG1-CD1 3.8Å; I678-A682 HydrophobicContact CG2-CB 4.12Å; I678-T685 HydrophobicContact CD1-CG2 3.72Å
679	D	93.8	Very high	94.3	Very high	83 Å²	83	48.8 Å²	48.8	44%	0.444	25%	0.253	S	S	.	.			trans	-59	155	177.1	-73.9	-43.7	0	0	0	112.8	R615 N656 S681 A682	R615-D679 PolarHBondContact NH1-O 2.8Å; R615-D679 PolarHBondContact NH2-O 3.31Å; N656-D679 PolarHBondContact ND2-OD1 2.89Å; N656-D679 VanDerWaalsContact ND2-OD1 3.11Å; D679-S681 PolarHBondContact O-N 3.3Å; D679-A682 HydrophobicContact CB-CB 4.24Å; D679-A682 VanDerWaalsContact O-CB 3.28Å; D679-A682 WeakPolarHBondContact O-CB 3.35Å; D679-A682 PolarHBondContact O-N 3.01Å
680	A	92.4	Very high	94.4	Very high	39 Å²	39	52.1 Å²	52.1	32%	0.322	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.3	-175.3	0	0	0	0	0	114.2	K653 G654 N656	K653-A680 WeakPolarHBondContact CA-O 3.4Å; G654-A680 PolarHBondContact N-O 3.45Å; G654-A680 WeakPolarHBondContact O-CA 3.24Å; G654-A680 WeakPolarHBondContact O-CB 3.38Å; N656-A680 WeakPolarHBondContact OD1-CB 3.31Å; N656-A680 PolarHBondContact OD1-N 2.95Å
681	S	92.6	Very high	94.4	Very high	90 Å²	90	52.9 Å²	52.9	63%	0.629	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.3	178.2	56.2	0	0	0	0	114	D679 E683	D679-S681 PolarHBondContact O-N 3.3Å; S681-E683 PolarHBondContact O-N 2.81Å
682	A	92.1	Very high	94.5	Very high	21 Å²	21	56.4 Å²	56.4	17%	0.174	30%	0.297	C	S	.	.			trans	-65.8	125.3	179.3	0	0	0	0	0	110.8	R615 W651 I678 D679	R615-A682 PolarHBondContact NH2-O 3.02Å; W651-A682 WeakPolarHBondContact CB-O 3.47Å; I678-A682 HydrophobicContact CG2-CB 4.12Å; D679-A682 HydrophobicContact CB-CB 4.24Å; D679-A682 VanDerWaalsContact O-CB 3.28Å; D679-A682 WeakPolarHBondContact O-CB 3.35Å; D679-A682 PolarHBondContact O-N 3.01Å
683	E	93.4	Very high	94.5	Very high	61 Å²	61	59.9 Å²	59.9	29%	0.285	31%	0.313	S	S	.	.			trans	-101.7	-27.4	176.5	-65.7	170.3	167.5	0	0	111.6	R630 K650 W651 K653 S681	R630-E683 IonicContact CZ-OE2 2.6Å; R630-E683 VanDerWaalsContact CZ-OE2 3.25Å; R630-E683 IonicContact NH1-OE2 2.71Å; R630-E683 PolarHBondContact NH1-OE2 2.88Å; R630-E683 IonicContact NH2-OE2 3.31Å; R630-E683 PolarHBondContact NH2-OE2 3.46Å; K650-E683 WeakPolarHBondContact CA-O 3.26Å; W651-E683 PolarHBondContact N-O 2.84Å; K653-E683 WeakPolarHBondContact CE-OE1 3.37Å; K653-E683 IonicContact NZ-OE1 2.69Å; K653-E683 PolarHBondContact NZ-OE1 2.79Å; S681-E683 PolarHBondContact O-N 2.81Å
684	F	95.3	Very high	94.5	Very high	54 Å²	54	59.2 Å²	59.2	24%	0.237	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.1	-178.9	-73.5	-97.7	0	0	0	110.1	W625 R630 M648 Q649 K650	W625-F684 HydrophobicContact CH2-CD1 4.11Å; R630-F684 HydrophobicContact CB-CD1 4.26Å; R630-F684 HydrophobicContact CB-CD2 4.37Å; R630-F684 HydrophobicContact CB-CE1 4.1Å; R630-F684 HydrophobicContact CB-CE2 4.25Å; R630-F684 HydrophobicContact CB-CG 4.38Å; R630-F684 HydrophobicContact CB-CZ 4.09Å; R630-F684 HydrophobicContact CG-CD2 4.35Å; M648-F684 HydrophobicContact CE-CE1 4.44Å; M648-F684 HydrophobicContact CG-CD1 4.26Å; M648-F684 HydrophobicContact SD-CD1 3.79Å; M648-F684 HydrophobicContact SD-CE1 4.06Å; Q649-F684 CarbonylContact O-C 3.57Å; Q649-F684 WeakPolarHBondContact O-CA 3.37Å; K650-F684 HydrophobicContact CB-CD1 4.24Å; K650-F684 HydrophobicContact CB-CE1 4.07Å; K650-F684 HydrophobicContact CD-CE1 4.09Å; K650-F684 HydrophobicContact CD-CZ 3.89Å; K650-F684 HydrophobicContact CG-CD1 4.23Å; K650-F684 HydrophobicContact CG-CE1 3.81Å; K650-F684 HydrophobicContact CG-CE2 4.2Å; K650-F684 HydrophobicContact CG-CZ 3.79Å
685	T	95.4	Very high	94.7	Very high	28 Å²	28	57.6 Å²	57.6	17%	0.172	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.5	164.5	52.7	0	0	0	0	109.7	M648 Q649 W651 I678	M648-T685 WeakPolarHBondContact CA-O 3.33Å; Q649-T685 PolarHBondContact N-O 3.44Å; Q649-T685 PolarHBondContact O-N 3.11Å; Q649-T685 PolarHBondContact OE1-O 3.08Å; Q649-T685 PolarHBondContact OE1-OG1 3.35Å; W651-T685 PolarHBondContact NE1-OG1 3.1Å; I678-T685 HydrophobicContact CD1-CG2 3.72Å
686	H	95.1	Very high	94.7	Very high	95 Å²	95	53 Å²	53	44%	0.44	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.1	173.9	63.7	-70.4	0	0	0	110.6	W625 V646 A647 M648	W625-H686 AromaticContact CD1-CD2 3.34Å; W625-H686 AromaticContact CD1-CG 3.85Å; W625-H686 AromaticContact CD1-NE2 3.48Å; W625-H686 AromaticContact CE2-CG 3.91Å; W625-H686 AromaticContact CE2-ND1 4Å; W625-H686 AromaticContact NE1-CD2 3.33Å; W625-H686 PolarHBondContact NE1-CD2 3.43Å; W625-H686 VanDerWaalsContact NE1-CD2 3.33Å; W625-H686 AromaticContact NE1-CE1 3.4Å; W625-H686 PolarHBondContact NE1-CE1 2.83Å; W625-H686 AromaticContact NE1-CG 3.42Å; W625-H686 AromaticContact NE1-ND1 3.44Å; W625-H686 PolarHBondContact NE1-ND1 2.93Å; W625-H686 AromaticContact NE1-NE2 3.31Å; W625-H686 PolarHBondContact NE1-NE2 2.96Å; V646-H686 HydrophobicContact CG1-CB 4.31Å; A647-H686 CarbonylContact O-C 3.58Å; A647-H686 WeakPolarHBondContact O-CA 3.31Å; M648-H686 HydrophobicContact CB-CB 4.44Å
687	Y	95.6	Very high	94.9	Very high	98 Å²	98	51.9 Å²	51.9	38%	0.384	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	142.4	177.1	-176.5	-107.4	0	0	0	111.4	A647 Y674 P689	A647-Y687 PolarHBondContact N-O 2.78Å; A647-Y687 PolarHBondContact O-N 2.87Å; Y674-Y687 HydrophobicContact CD1-CD1 4.11Å; Y674-Y687 AromaticContact CD1-CE1 3.92Å; Y674-Y687 HydrophobicContact CD1-CE1 3.92Å; Y674-Y687 HydrophobicContact CD2-CD1 4.17Å; Y674-Y687 HydrophobicContact CD2-CE1 4.46Å; Y674-Y687 AromaticContact CE1-CD1 3.61Å; Y674-Y687 HydrophobicContact CE1-CD1 3.61Å; Y674-Y687 AromaticContact CE1-CE1 3.81Å; Y674-Y687 HydrophobicContact CE1-CE1 3.81Å; Y674-Y687 AromaticContact CE2-CD1 3.69Å; Y674-Y687 HydrophobicContact CE2-CD1 3.69Å; Y674-Y687 HydrophobicContact CE2-CE1 4.37Å; Y674-Y687 HydrophobicContact CE2-CG 4.17Å; Y674-Y687 HydrophobicContact CG-CD1 4.38Å; Y674-Y687 HydrophobicContact CG-CE1 4.26Å; Y674-Y687 AromaticContact CZ-CD1 3.39Å; Y687-P689 HydrophobicContact CD1-CB 4.4Å; Y687-P689 HydrophobicContact CE1-CB 4.03Å
688	R	94.3	Very high	95	Very high	124 Å²	124	47.2 Å²	47.2	47%	0.468	25%	0.249	S	C	.	.			trans	-104.6	105.4	170.3	-177.9	176.8	-72.2	168.9	3	108.4	E644 V646	E644-R688 WeakPolarHBondContact OE2-CD 3.31Å; E644-R688 IonicContact OE2-CZ 3.25Å; E644-R688 VanDerWaalsContact OE2-CZ 3.23Å; E644-R688 IonicContact OE2-NE 3.75Å; E644-R688 PolarHBondContact OE2-NE 3.16Å; E644-R688 IonicContact OE2-NH1 2.81Å; E644-R688 PolarHBondContact OE2-NH1 2.92Å; V646-R688 HydrophobicContact CG2-CB 4.09Å; V646-R688 HydrophobicContact CG2-CG 4.32Å
689	P	93.8	Very high	95.2	Very high	5 Å²	5	48 Å²	48	3%	0.032	25%	0.254	C	S	.	.			trans	-67.1	140	170.2	28.8	-34.5	0	0	0	110.4	W663 A672 Y674 Y687 L691	W663-P689 HydrophobicContact CD2-CG 4.18Å; W663-P689 HydrophobicContact CH2-CG 3.95Å; W663-P689 HydrophobicContact CZ2-CG 3.52Å; W663-P689 HydrophobicContact CZ3-CG 4.44Å; A672-P689 HydrophobicContact CB-CB 4.18Å; Y674-P689 HydrophobicContact CE1-CB 4.39Å; Y687-P689 HydrophobicContact CD1-CB 4.4Å; Y687-P689 HydrophobicContact CE1-CB 4.03Å; P689-L691 HydrophobicContact CB-CD2 3.98Å; P689-L691 HydrophobicContact CB-CG 3.99Å; P689-L691 HydrophobicContact CG-CD1 4Å; P689-L691 HydrophobicContact CG-CD2 4.25Å; P689-L691 HydrophobicContact CG-CG 3.86Å; P689-L691 PolarHBondContact O-N 2.84Å
690	P	94.1	Very high	95.4	Very high	83 Å²	83	44 Å²	44	54%	0.539	23%	0.232	S	C	.	.			trans	-79.4	73.5	176.7	33.4	-34.8	0	0	0	110	M747	P690-M747 HydrophobicContact CG-CE 4.2Å
691	L	95.1	Very high	95.6	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.115	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-81.9	126.2	-179.9	-56.6	179.4	0	0	0	110.8	W663 A671 A672 P689 Q693 L695 W700 Y746	W663-L691 HydrophobicContact CE3-CD1 4.2Å; W663-L691 HydrophobicContact CZ3-CD1 4.41Å; A671-L691 HydrophobicContact CB-CD2 4.14Å; A672-L691 HydrophobicContact CB-CD2 3.94Å; P689-L691 HydrophobicContact CB-CD2 3.98Å; P689-L691 HydrophobicContact CB-CG 3.99Å; P689-L691 HydrophobicContact CG-CD1 4Å; P689-L691 HydrophobicContact CG-CD2 4.25Å; P689-L691 HydrophobicContact CG-CG 3.86Å; P689-L691 PolarHBondContact O-N 2.84Å; L691-Q693 PolarHBondContact O-N 3.35Å; L691-L695 HydrophobicContact CB-CD2 3.82Å; L691-L695 HydrophobicContact CD1-CD2 4.02Å; L691-W700 HydrophobicContact CD1-CZ3 4.4Å; L691-Y746 CarbonylContact C-O 3.55Å; L691-Y746 WeakPolarHBondContact CA-O 3.32Å
692	N	95.7	Very high	95.8	Very high	77 Å²	77	39.2 Å²	39.2	41%	0.412	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-60.4	134	172	-67.4	-32.8	0	0	0	110.9	P741 S745 Y746	N692-P741 HydrophobicContact CB-CB 4Å; N692-S745 WeakPolarHBondContact CB-O 3.39Å; N692-S745 PolarHBondContact ND2-O 2.87Å; N692-Y746 PolarHBondContact N-O 2.8Å; N692-Y746 PolarHBondContact ND2-O 3.5Å
693	Q	94.9	Very high	95.9	Very high	73 Å²	73	41.2 Å²	41.2	34%	0.341	20%	0.198	S	C	.	.	S	Bend	trans	-96	158.6	179	-70.2	-179.9	-19	0	0	111.9	M642 D643 L691	M642-Q693 HydrophobicContact CE-CB 3.98Å; M642-Q693 PolarHBondContact O-NE2 3.27Å; M642-Q693 HydrophobicContact SD-CB 4.31Å; D643-Q693 PolarHBondContact O-NE2 2.81Å; D643-Q693 VanDerWaalsContact O-NE2 3.11Å; L691-Q693 PolarHBondContact O-N 3.35Å
694	P	96.8	Very high	96	Very high	18 Å²	18	38.3 Å²	38.3	12%	0.117	18%	0.184	C	C	.	.	S	Bend	cis	-72.5	146.5	-5.1	31.5	-36.1	0	0	0	112.3	P641 M642 L737 G740 P741	P641-P694 HydrophobicContact CB-CB 3.81Å; P641-P694 CarbonylContact O-C 3.5Å; P641-P694 VanDerWaalsContact O-CA 3.23Å; P641-P694 WeakPolarHBondContact O-CA 3.31Å; M642-P694 HydrophobicContact SD-CB 3.89Å; P694-L737 WeakPolarHBondContact CB-O 3.38Å; P694-G740 CarbonylContact O-C 3.55Å; P694-G740 VanDerWaalsContact O-C 3.25Å; P694-G740 WeakPolarHBondContact O-CA 3.48Å; P694-P741 VanDerWaalsContact O-CD 3.25Å; P694-P741 WeakPolarHBondContact O-CD 3.33Å; P694-P741 VanDerWaalsContact O-N 3.13Å
695	L	97.6	Very high	95.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-68.1	134.4	169.2	-59.6	-178.8	0	0	0	109.5	P641 T645 L691 P697 W700 I718 Y746	P641-L695 PolarHBondContact O-N 3.18Å; T645-L695 HydrophobicContact CG2-CD1 3.75Å; L691-L695 HydrophobicContact CB-CD2 3.82Å; L691-L695 HydrophobicContact CD1-CD2 4.02Å; L695-P697 WeakPolarHBondContact O-CD 3.24Å; L695-W700 HydrophobicContact CB-CZ2 3.96Å; L695-W700 HydrophobicContact CD2-CH2 4.09Å; L695-W700 HydrophobicContact CD2-CZ2 4.1Å; L695-I718 HydrophobicContact CB-CD1 4.48Å; L695-I718 HydrophobicContact CB-CG1 4.11Å; L695-I718 HydrophobicContact CB-CG2 4.16Å; L695-I718 HydrophobicContact CD1-CD1 3.84Å; L695-I718 HydrophobicContact CD1-CG1 4.2Å; L695-Y746 HydrophobicContact CD2-CD1 4.21Å; L695-Y746 HydrophobicContact CD2-CE1 4.17Å
696	R	97.1	Very high	95.6	Very high	9 Å²	9	36.5 Å²	36.5	3%	0.034	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-60.5	126.3	177.8	178.2	163.6	-67.9	123.7	15.5	110.5	D665 T667 W700 N739 N744 Y746	D665-R696 IonicContact OD2-CZ 3.95Å; D665-R696 IonicContact OD2-NH1 2.67Å; D665-R696 PolarHBondContact OD2-NH1 2.78Å; T667-R696 PolarHBondContact OG1-NH1 3.1Å; R696-W700 PolarHBondContact O-NE1 3.42Å; R696-N739 PolarHBondContact NE-O 3.44Å; R696-N739 PolarHBondContact NH2-O 3.36Å; R696-N744 PolarHBondContact NH2-OD1 3.22Å; R696-Y746 WeakPolarHBondContact CB-OH 3.27Å
697	P	98.3	Very high	95.3	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.032	19%	0.185	C	C	.	.	S	Bend	trans	-67	151.2	176.7	-18.3	31.2	0	0	0	113.1	P641 L695 I718 P720 H738 W784	P641-P697 HydrophobicContact CG-CG 4.23Å; L695-P697 WeakPolarHBondContact O-CD 3.24Å; P697-I718 CarbonylContact C-O 3.38Å; P697-I718 VanDerWaalsContact CA-O 3.24Å; P697-I718 WeakPolarHBondContact CA-O 3.45Å; P697-I718 WeakPolarHBondContact CB-O 3.33Å; P697-P720 HydrophobicContact CB-CB 3.74Å; P697-P720 HydrophobicContact CB-CG 4.11Å; P697-P720 HydrophobicContact CG-CB 3.98Å; P697-H738 WeakPolarHBondContact CD-O 3.19Å; P697-H738 HydrophobicContact CG-CB 3.99Å; P697-W784 HydrophobicContact CB-CH2 3.85Å; P697-W784 HydrophobicContact CB-CZ2 4.05Å; P697-W784 HydrophobicContact CG-CH2 4.17Å
698	G	97.9	Very high	94.8	Very high	4 Å²	4	39.9 Å²	39.9	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.8	179.3	-173	0	0	0	0	0	112.1	W700 I718	G698-W700 PolarHBondContact O-N 3.34Å; G698-I718 PolarHBondContact N-O 2.8Å; G698-I718 PolarHBondContact O-N 3.12Å; G698-I718 VanDerWaalsContact O-N 3.1Å
699	V	97.8	Very high	94.5	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110.4	177.3	-172.8	0	0	0	0	110.3	R715 F716 L717 L788 E791 L792	V699-R715 HydrophobicContact CG1-CB 3.83Å; V699-R715 HydrophobicContact CG1-CG 4.42Å; V699-R715 VanDerWaalsContact CG1-CZ 3.49Å; V699-R715 VanDerWaalsContact CG1-NH2 3.34Å; V699-F716 CarbonylContact C-O 3.43Å; V699-F716 WeakPolarHBondContact CA-O 3.31Å; V699-L717 HydrophobicContact CG2-CD1 4.29Å; V699-L788 HydrophobicContact CG2-CD2 4.3Å; V699-E791 HydrophobicContact CG2-CB 4.03Å; V699-E791 HydrophobicContact CG2-CG 4.43Å; V699-L792 HydrophobicContact CG1-CD1 4.15Å; V699-L792 HydrophobicContact CG1-CD2 4.3Å; V699-L792 HydrophobicContact CG1-CG 4.37Å; V699-L792 HydrophobicContact CG2-CG 4.39Å
700	W	97.8	Very high	94.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	163.6	172.9	-76.5	66.3	0	0	0	111.8	D665 P666 A671 L691 L695 R696 G698 R715 F716 I718 Y746	D665-W700 HydrophobicContact CB-CD2 4.24Å; D665-W700 HydrophobicContact CB-CE3 4.15Å; D665-W700 HydrophobicContact CB-CH2 3.79Å; D665-W700 HydrophobicContact CB-CZ2 3.85Å; D665-W700 HydrophobicContact CB-CZ3 3.94Å; P666-W700 HydrophobicContact CG-CG 4.28Å; A671-W700 HydrophobicContact CB-CH2 3.98Å; A671-W700 HydrophobicContact CB-CZ3 3.63Å; L691-W700 HydrophobicContact CD1-CZ3 4.4Å; L695-W700 HydrophobicContact CB-CZ2 3.96Å; L695-W700 HydrophobicContact CD2-CH2 4.09Å; L695-W700 HydrophobicContact CD2-CZ2 4.1Å; R696-W700 PolarHBondContact O-NE1 3.42Å; G698-W700 PolarHBondContact O-N 3.34Å; W700-R715 WeakPolarHBondContact O-CA 3.39Å; W700-F716 HydrophobicContact CB-CD1 3.67Å; W700-F716 HydrophobicContact CB-CD2 4.15Å; W700-F716 HydrophobicContact CB-CE1 3.28Å; W700-F716 HydrophobicContact CB-CE2 3.79Å; W700-F716 HydrophobicContact CB-CG 4.1Å; W700-F716 HydrophobicContact CB-CZ 3.35Å; W700-F716 HydrophobicContact CD2-CE1 4.4Å; W700-F716 HydrophobicContact CD2-CE2 4.31Å; W700-F716 AromaticContact CD2-CZ 3.76Å; W700-F716 HydrophobicContact CD2-CZ 3.76Å; W700-F716 HydrophobicContact CE3-CE1 4.37Å; W700-F716 AromaticContact CE3-CZ 3.89Å; W700-F716 HydrophobicContact CE3-CZ 3.89Å; W700-F716 HydrophobicContact CG-CE1 4.02Å; W700-F716 AromaticContact CG-CE2 3.86Å; W700-F716 HydrophobicContact CG-CE2 3.86Å; W700-F716 AromaticContact CG-CZ 3.56Å; W700-F716 HydrophobicContact CG-CZ 3.56Å; W700-F716 PolarHBondContact N-O 3.24Å; W700-F716 PolarHBondContact O-N 3.45Å; W700-F716 VanDerWaalsContact O-N 3.16Å; W700-I718 HydrophobicContact CG-CG1 4.47Å; W700-Y746 AromaticContact CH2-CD1 3.94Å; W700-Y746 HydrophobicContact CH2-CD1 3.94Å; W700-Y746 AromaticContact CH2-CE1 3.48Å; W700-Y746 HydrophobicContact CH2-CE1 3.48Å; W700-Y746 VanDerWaalsContact CH2-CE1 3.48Å; W700-Y746 HydrophobicContact CH2-CE2 4.17Å; W700-Y746 HydrophobicContact CH2-CG 4.48Å; W700-Y746 AromaticContact CH2-CZ 3.6Å; W700-Y746 AromaticContact CZ2-CE1 3.76Å; W700-Y746 HydrophobicContact CZ2-CE1 3.76Å; W700-Y746 AromaticContact CZ2-CZ 3.82Å
701	N	96.3	Very high	94.1	Very high	27 Å²	27	36.7 Å²	36.7	14%	0.144	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.1	-178.5	-174.9	-29.6	0	0	0	110.4	I664 E713 I714	I664-N701 WeakPolarHBondContact CA-O 3.43Å; I664-N701 HydrophobicContact CB-CB 4.29Å; I664-N701 WeakPolarHBondContact CB-O 3.32Å; I664-N701 PolarHBondContact N-O 3.12Å; I664-N701 PolarHBondContact O-N 3.04Å; N701-E713 PolarHBondContact ND2-OE1 3.43Å; N701-E713 WeakPolarHBondContact OD1-CG 3.04Å; N701-I714 CarbonylContact C-O 3.52Å; N701-I714 WeakPolarHBondContact CA-O 2.86Å
702	V	96.9	Very high	94	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.1	171.6	-179.8	0	0	0	0	108.9	I621 V661 V662 W663 E713 I714 F716	I621-V702 HydrophobicContact CD1-CB 4.1Å; I621-V702 HydrophobicContact CD1-CG1 4.3Å; I621-V702 HydrophobicContact CD1-CG2 3.72Å; I621-V702 HydrophobicContact CG1-CG2 4.07Å; V661-V702 HydrophobicContact CG1-CG1 3.58Å; V662-V702 CarbonylContact O-C 3.6Å; V662-V702 WeakPolarHBondContact O-CA 3.42Å; W663-V702 HydrophobicContact CD2-CG2 3.65Å; W663-V702 HydrophobicContact CE3-CG2 3.7Å; W663-V702 HydrophobicContact CG-CG2 4.03Å; W663-V702 HydrophobicContact CZ3-CG2 4.24Å; V702-E713 CarbonylContact O-C 3.53Å; V702-E713 WeakPolarHBondContact O-CA 3.49Å; V702-I714 HydrophobicContact CB-CB 4.49Å; V702-I714 HydrophobicContact CB-CD1 4.06Å; V702-I714 HydrophobicContact CG1-CD1 4.06Å; V702-I714 PolarHBondContact N-O 3.26Å; V702-I714 PolarHBondContact O-N 3.25Å; V702-F716 HydrophobicContact CG2-CD1 4.3Å; V702-F716 HydrophobicContact CG2-CE1 3.83Å
703	R	95.2	Very high	94	Very high	64 Å²	64	34.3 Å²	34.3	24%	0.242	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.7	176.2	-65.3	-176.5	177.2	171.7	-1.4	110.4	V661 V662 I664 L705 A712 E713 L758	V661-R703 WeakPolarHBondContact CA-O 3.42Å; V662-R703 PolarHBondContact N-O 3.47Å; V662-R703 PolarHBondContact O-N 3.13Å; I664-R703 HydrophobicContact CD1-CG 3.99Å; R703-L705 HydrophobicContact CB-CD2 4.18Å; R703-A712 WeakPolarHBondContact CA-O 3.42Å; R703-E713 HydrophobicContact CG-CG 4.45Å; R703-E713 IonicContact NE-OE1 3.69Å; R703-E713 IonicContact NH2-OE1 3.76Å; R703-L758 PolarHBondContact NH1-O 2.85Å
704	I	94.5	Very high	94	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.4	169.9	-58.5	176.4	0	0	0	107.5	L616 A619 Q649 V659 V711 A712 I714	L616-I704 HydrophobicContact CD1-CD1 4.37Å; L616-I704 HydrophobicContact CD2-CD1 3.92Å; A619-I704 HydrophobicContact CB-CD1 3.72Å; Q649-I704 HydrophobicContact CG-CD1 3.84Å; V659-I704 HydrophobicContact CB-CG2 3.99Å; V659-I704 HydrophobicContact CG1-CG2 4.35Å; V659-I704 HydrophobicContact CG2-CG2 4.03Å; I704-V711 HydrophobicContact CG2-CB 4.46Å; I704-V711 WeakPolarHBondContact O-CB 3.07Å; I704-V711 PolarHBondContact O-N 3.44Å; I704-A712 HydrophobicContact CB-CB 4.39Å; I704-A712 PolarHBondContact N-O 2.89Å; I704-A712 PolarHBondContact O-N 2.76Å; I704-I714 HydrophobicContact CD1-CD1 4.05Å; I704-I714 HydrophobicContact CG1-CD1 4.2Å
705	L	92.8	Very high	94.1	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.9	-176.3	-45.2	176.7	0	0	0	110.6	V659 T660 V662 R703 S709 P710 L758	V659-L705 CarbonylContact C-O 3.51Å; V659-L705 VanDerWaalsContact CA-O 3.32Å; V659-L705 WeakPolarHBondContact CA-O 3.42Å; V659-L705 VanDerWaalsContact CB-O 3.31Å; V659-L705 WeakPolarHBondContact CB-O 3.4Å; T660-L705 PolarHBondContact N-O 3.5Å; T660-L705 PolarHBondContact O-N 2.94Å; V662-L705 HydrophobicContact CG2-CD1 3.84Å; V662-L705 HydrophobicContact CG2-CG 4.4Å; R703-L705 HydrophobicContact CB-CD2 4.18Å; L705-S709 CarbonylContact C-O 3.6Å; L705-S709 VanDerWaalsContact CA-O 3.31Å; L705-S709 WeakPolarHBondContact CA-O 3.38Å; L705-P710 HydrophobicContact CD2-CB 4.29Å; L705-P710 HydrophobicContact CD2-CG 4.26Å; L705-L758 HydrophobicContact CD1-CD2 3.47Å; L705-L758 VanDerWaalsContact CD1-CD2 3.47Å
706	H	91	Very high	94.1	Very high	41 Å²	41	34.4 Å²	34.4	19%	0.19	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.5	169.6	174.2	-105	0	0	0	108.2	F613 V657 T658 V659 W708 S709 V711	F613-H706 HydrophobicContact CD2-CB 3.91Å; F613-H706 AromaticContact CD2-CD2 3.59Å; F613-H706 AromaticContact CD2-CG 3.5Å; F613-H706 AromaticContact CD2-ND1 3.81Å; F613-H706 AromaticContact CD2-NE2 3.93Å; F613-H706 HydrophobicContact CE2-CB 4.1Å; F613-H706 AromaticContact CE2-CD2 3.71Å; F613-H706 AromaticContact CE2-CG 3.9Å; F613-H706 HydrophobicContact CG-CB 4.41Å; V657-H706 WeakPolarHBondContact CG2-NE2 3.34Å; T658-H706 PolarHBondContact O-CD2 3.34Å; V659-H706 HydrophobicContact CG1-CB 4.4Å; H706-W708 VanDerWaalsContact C-N 3.29Å; H706-W708 PolarHBondContact O-N 3.13Å; H706-S709 PolarHBondContact N-O 3.24Å; H706-S709 VanDerWaalsContact O-CB 3.32Å; H706-S709 WeakPolarHBondContact O-CB 3.06Å; H706-S709 PolarHBondContact O-N 2.84Å; H706-V711 HydrophobicContact CB-CG2 3.57Å
707	N	87.4	Confident	94.1	Very high	125 Å²	125	34.2 Å²	34.2	67%	0.668	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	51.9	-171.6	-61.1	-17.5	0	0	0	112.1	S709	N707-S709 PolarHBondContact O-N 3.31Å; N707-S709 PolarHBondContact O-OG 3.4Å
708	W	86.8	Confident	94.2	Very high	139 Å²	139	34 Å²	34	53%	0.527	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-3.1	-174.5	-59.2	92.7	0	0	0	116.7	H706 L754 V757 L758	H706-W708 VanDerWaalsContact C-N 3.29Å; H706-W708 PolarHBondContact O-N 3.13Å; W708-L754 HydrophobicContact CH2-CD2 3.79Å; W708-L754 HydrophobicContact CZ3-CD2 4.02Å; W708-V757 HydrophobicContact CE3-CG1 3.87Å; W708-V757 HydrophobicContact CZ3-CG1 4.03Å; W708-L758 HydrophobicContact CE3-CD2 3.76Å; W708-L758 HydrophobicContact CZ3-CD2 3.96Å
709	S	87.6	Confident	94.2	Very high	68 Å²	68	33.8 Å²	33.8	48%	0.476	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.6	178.3	-55.9	0	0	0	0	110.9	L705 H706 N707 V711	L705-S709 CarbonylContact C-O 3.6Å; L705-S709 VanDerWaalsContact CA-O 3.31Å; L705-S709 WeakPolarHBondContact CA-O 3.38Å; H706-S709 PolarHBondContact N-O 3.24Å; H706-S709 VanDerWaalsContact O-CB 3.32Å; H706-S709 WeakPolarHBondContact O-CB 3.06Å; H706-S709 PolarHBondContact O-N 2.84Å; N707-S709 PolarHBondContact O-N 3.31Å; N707-S709 PolarHBondContact O-OG 3.4Å; S709-V711 PolarHBondContact O-N 3.33Å
710	P	88.7	Confident	94.2	Very high	73 Å²	73	33 Å²	33	47%	0.474	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.7	177.8	-25.2	35.4	0	0	0	113.6	T606 L705	T606-P710 HydrophobicContact CG2-CB 4.12Å; L705-P710 HydrophobicContact CD2-CB 4.29Å; L705-P710 HydrophobicContact CD2-CG 4.26Å
711	V	91.1	Very high	94.2	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-47.5	174.5	176.6	0	0	0	0	110.5	L605 T606 T607 F613 L616 I704 H706 S709	L605-V711 HydrophobicContact CD1-CG1 4.37Å; L605-V711 WeakPolarHBondContact CD1-O 3.5Å; T606-V711 PolarHBondContact N-O 3.34Å; T607-V711 HydrophobicContact CG2-CG1 4.1Å; F613-V711 HydrophobicContact CD1-CG1 3.63Å; F613-V711 HydrophobicContact CD1-CG2 4.04Å; F613-V711 HydrophobicContact CE1-CG1 3.6Å; F613-V711 HydrophobicContact CE1-CG2 4.27Å; F613-V711 HydrophobicContact CG-CG2 4.39Å; L616-V711 HydrophobicContact CB-CG1 4.42Å; L616-V711 HydrophobicContact CD2-CG1 4.01Å; I704-V711 HydrophobicContact CG2-CB 4.46Å; I704-V711 WeakPolarHBondContact O-CB 3.07Å; I704-V711 PolarHBondContact O-N 3.44Å; H706-V711 HydrophobicContact CB-CG2 3.57Å; S709-V711 PolarHBondContact O-N 3.33Å
712	A	93.1	Very high	94.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	162.8	-178.9	0	0	0	0	0	112.7	F603 K604 L605 L616 R703 I704	F603-A712 HydrophobicContact CE2-CB 3.81Å; F603-A712 HydrophobicContact CZ-CB 4.16Å; K604-A712 CarbonylContact O-C 3.59Å; K604-A712 VanDerWaalsContact O-CA 3.26Å; K604-A712 WeakPolarHBondContact O-CA 3.33Å; K604-A712 WeakPolarHBondContact O-CB 3.44Å; L605-A712 HydrophobicContact CD1-CB 4.28Å; L616-A712 HydrophobicContact CD2-CB 3.49Å; L616-A712 VanDerWaalsContact CD2-CB 3.49Å; R703-A712 WeakPolarHBondContact CA-O 3.42Å; I704-A712 HydrophobicContact CB-CB 4.39Å; I704-A712 PolarHBondContact N-O 2.89Å; I704-A712 PolarHBondContact O-N 2.76Å
713	E	94.4	Very high	94.3	Very high	48 Å²	48	33.8 Å²	33.8	22%	0.224	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	130.9	-179.1	-170.9	168.2	-151.9	0	0	108.8	K604 N701 V702 R703	K604-E713 PolarHBondContact N-O 3.29Å; K604-E713 PolarHBondContact O-N 3.1Å; N701-E713 PolarHBondContact ND2-OE1 3.43Å; N701-E713 WeakPolarHBondContact OD1-CG 3.04Å; V702-E713 CarbonylContact O-C 3.53Å; V702-E713 WeakPolarHBondContact O-CA 3.49Å; R703-E713 HydrophobicContact CG-CG 4.45Å; R703-E713 IonicContact NE-OE1 3.69Å; R703-E713 IonicContact NH2-OE1 3.76Å
714	I	96	Very high	94.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.3	178.9	-43.8	105.6	0	0	0	109	N602 F603 A619 I621 N701 V702 I704	N602-I714 WeakPolarHBondContact O-CA 3.42Å; F603-I714 HydrophobicContact CD2-CG1 3.79Å; F603-I714 HydrophobicContact CE2-CG1 4.4Å; A619-I714 HydrophobicContact CB-CD1 3.74Å; A619-I714 HydrophobicContact CB-CG1 3.91Å; I621-I714 HydrophobicContact CG1-CB 4.48Å; I621-I714 HydrophobicContact CG1-CG2 4.08Å; N701-I714 CarbonylContact C-O 3.52Å; N701-I714 WeakPolarHBondContact CA-O 2.86Å; V702-I714 HydrophobicContact CB-CB 4.49Å; V702-I714 HydrophobicContact CB-CD1 4.06Å; V702-I714 HydrophobicContact CG1-CD1 4.06Å; V702-I714 PolarHBondContact N-O 3.26Å; V702-I714 PolarHBondContact O-N 3.25Å; I704-I714 HydrophobicContact CD1-CD1 4.05Å; I704-I714 HydrophobicContact CG1-CD1 4.2Å
715	R	97.4	Very high	94.5	Very high	90 Å²	90	39.8 Å²	39.8	34%	0.34	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.8	172.3	-60.7	-174	79.2	-152.2	2.9	111	N602 V699 W700 E791 L792	N602-R715 HydrophobicContact CB-CB 4.37Å; N602-R715 WeakPolarHBondContact CB-O 3.32Å; N602-R715 PolarHBondContact ND2-O 3.45Å; N602-R715 PolarHBondContact O-N 2.8Å; V699-R715 HydrophobicContact CG1-CB 3.83Å; V699-R715 HydrophobicContact CG1-CG 4.42Å; V699-R715 VanDerWaalsContact CG1-CZ 3.49Å; V699-R715 VanDerWaalsContact CG1-NH2 3.34Å; W700-R715 WeakPolarHBondContact O-CA 3.39Å; R715-E791 IonicContact CZ-OE2 3Å; R715-E791 VanDerWaalsContact CZ-OE2 3.31Å; R715-E791 IonicContact NH1-OE2 2.8Å; R715-E791 PolarHBondContact NH1-OE2 3.02Å; R715-E791 IonicContact NH2-OE2 3.69Å; R715-E791 PolarHBondContact NH2-OE2 2.88Å; R715-L792 HydrophobicContact CB-CD2 4.15Å
716	F	98	Very high	94.6	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.022	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.8	172.3	73.8	-86.6	0	0	0	111	I621 M639 T645 W663 V699 W700 V702 I718	I621-F716 HydrophobicContact CB-CB 4.09Å; I621-F716 HydrophobicContact CB-CD1 3.85Å; I621-F716 HydrophobicContact CB-CE1 4.41Å; I621-F716 HydrophobicContact CB-CG 3.95Å; I621-F716 HydrophobicContact CG1-CB 4.47Å; I621-F716 HydrophobicContact CG1-CD1 3.68Å; I621-F716 HydrophobicContact CG1-CE1 4.19Å; I621-F716 HydrophobicContact CG1-CG 4.26Å; I621-F716 HydrophobicContact CG2-CB 4.49Å; I621-F716 HydrophobicContact CG2-CD1 3.79Å; I621-F716 HydrophobicContact CG2-CD2 4.11Å; I621-F716 HydrophobicContact CG2-CE1 3.91Å; I621-F716 HydrophobicContact CG2-CE2 4.23Å; I621-F716 HydrophobicContact CG2-CG 3.88Å; I621-F716 HydrophobicContact CG2-CZ 4.13Å; M639-F716 HydrophobicContact CE-CB 4.17Å; M639-F716 HydrophobicContact CE-CD2 3.7Å; M639-F716 HydrophobicContact CE-CG 4.29Å; T645-F716 HydrophobicContact CG2-CE2 3.91Å; T645-F716 HydrophobicContact CG2-CZ 4.35Å; W663-F716 AromaticContact CE3-CE1 3.93Å; W663-F716 HydrophobicContact CE3-CE1 3.93Å; W663-F716 AromaticContact CE3-CZ 3.94Å; W663-F716 HydrophobicContact CE3-CZ 3.94Å; W663-F716 AromaticContact CZ3-CE1 3.8Å; W663-F716 HydrophobicContact CZ3-CE1 3.8Å; W663-F716 AromaticContact CZ3-CZ 3.65Å; W663-F716 HydrophobicContact CZ3-CZ 3.65Å; V699-F716 CarbonylContact C-O 3.43Å; V699-F716 WeakPolarHBondContact CA-O 3.31Å; W700-F716 HydrophobicContact CB-CD1 3.67Å; W700-F716 HydrophobicContact CB-CD2 4.15Å; W700-F716 HydrophobicContact CB-CE1 3.28Å; W700-F716 HydrophobicContact CB-CE2 3.79Å; W700-F716 HydrophobicContact CB-CG 4.1Å; W700-F716 HydrophobicContact CB-CZ 3.35Å; W700-F716 HydrophobicContact CD2-CE1 4.4Å; W700-F716 HydrophobicContact CD2-CE2 4.31Å; W700-F716 AromaticContact CD2-CZ 3.76Å; W700-F716 HydrophobicContact CD2-CZ 3.76Å; W700-F716 HydrophobicContact CE3-CE1 4.37Å; W700-F716 AromaticContact CE3-CZ 3.89Å; W700-F716 HydrophobicContact CE3-CZ 3.89Å; W700-F716 HydrophobicContact CG-CE1 4.02Å; W700-F716 AromaticContact CG-CE2 3.86Å; W700-F716 HydrophobicContact CG-CE2 3.86Å; W700-F716 AromaticContact CG-CZ 3.56Å; W700-F716 HydrophobicContact CG-CZ 3.56Å; W700-F716 PolarHBondContact N-O 3.24Å; W700-F716 PolarHBondContact O-N 3.45Å; W700-F716 VanDerWaalsContact O-N 3.16Å; V702-F716 HydrophobicContact CG2-CD1 4.3Å; V702-F716 HydrophobicContact CG2-CE1 3.83Å; F716-I718 HydrophobicContact CD2-CD1 4.31Å; F716-I718 HydrophobicContact CD2-CG1 4.45Å; F716-I718 HydrophobicContact CE2-CD1 3.85Å; F716-I718 HydrophobicContact CE2-CG1 3.91Å
717	L	98.5	Very high	94.8	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.4	-176.6	173.7	60	0	0	0	110.7	Y528 V699 V719 L788 V789 L792	Y528-L717 HydrophobicContact CE1-CD2 3.98Å; Y528-L717 WeakPolarHBondContact OH-CG 3.41Å; Y528-L717 PolarHBondContact OH-O 3.23Å; V699-L717 HydrophobicContact CG2-CD1 4.29Å; L717-V719 HydrophobicContact CG-CB 4.42Å; L717-L788 HydrophobicContact CD1-CB 3.87Å; L717-L788 HydrophobicContact CD1-CD1 4.19Å; L717-L788 HydrophobicContact CD1-CD2 4.5Å; L717-L788 HydrophobicContact CD1-CG 4.43Å; L717-L788 HydrophobicContact CD2-CB 4.44Å; L717-V789 HydrophobicContact CD2-CB 4.42Å; L717-V789 HydrophobicContact CD2-CG2 3.9Å; L717-L792 HydrophobicContact CB-CD1 3.82Å
718	I	98.6	Very high	95.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109.2	155.8	-63.2	-56.4	0	0	0	106.5	M639 P641 T645 L695 P697 G698 W700 F716	M639-I718 HydrophobicContact CB-CD1 3.81Å; P641-I718 HydrophobicContact CB-CG2 4.43Å; P641-I718 HydrophobicContact CG-CG2 4.32Å; T645-I718 HydrophobicContact CG2-CD1 4.23Å; L695-I718 HydrophobicContact CB-CD1 4.48Å; L695-I718 HydrophobicContact CB-CG1 4.11Å; L695-I718 HydrophobicContact CB-CG2 4.16Å; L695-I718 HydrophobicContact CD1-CD1 3.84Å; L695-I718 HydrophobicContact CD1-CG1 4.2Å; P697-I718 CarbonylContact C-O 3.38Å; P697-I718 VanDerWaalsContact CA-O 3.24Å; P697-I718 WeakPolarHBondContact CA-O 3.45Å; P697-I718 WeakPolarHBondContact CB-O 3.33Å; G698-I718 PolarHBondContact N-O 2.8Å; G698-I718 PolarHBondContact O-N 3.12Å; G698-I718 VanDerWaalsContact O-N 3.1Å; W700-I718 HydrophobicContact CG-CG1 4.47Å; F716-I718 HydrophobicContact CD2-CD1 4.31Å; F716-I718 HydrophobicContact CD2-CG1 4.45Å; F716-I718 HydrophobicContact CE2-CD1 3.85Å; F716-I718 HydrophobicContact CE2-CG1 3.91Å
719	V	98.4	Very high	95.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-76.3	137.6	-178.3	80.9	0	0	0	0	110.1	T524 T527 Y528 M639 P641 L717 L721 V785 V789	T524-V719 HydrophobicContact CG2-CG1 4.35Å; T527-V719 HydrophobicContact CG2-CG1 4.41Å; T527-V719 HydrophobicContact CG2-CG2 4.21Å; Y528-V719 HydrophobicContact CD2-CB 4.48Å; Y528-V719 HydrophobicContact CD2-CG1 3.93Å; Y528-V719 HydrophobicContact CE1-CB 4.34Å; Y528-V719 HydrophobicContact CE1-CG2 4.45Å; Y528-V719 HydrophobicContact CE2-CB 3.78Å; Y528-V719 HydrophobicContact CE2-CG1 3.46Å; Y528-V719 VanDerWaalsContact CE2-CG1 3.46Å; M639-V719 PolarHBondContact O-N 2.82Å; P641-V719 WeakPolarHBondContact CD-O 3.48Å; L717-V719 HydrophobicContact CG-CB 4.42Å; V719-L721 HydrophobicContact CG1-CD2 4.22Å; V719-V785 HydrophobicContact CG2-CG1 4Å; V719-V789 HydrophobicContact CG2-CG2 4.02Å
720	P	98.3	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-69.9	139.3	164.3	27.4	-28.1	0	0	0	108.1	P697 L781 W784 V785 L788	P697-P720 HydrophobicContact CB-CB 3.74Å; P697-P720 HydrophobicContact CB-CG 4.11Å; P697-P720 HydrophobicContact CG-CB 3.98Å; P720-L781 HydrophobicContact CB-CD1 4.13Å; P720-L781 HydrophobicContact CG-CD1 4.4Å; P720-W784 HydrophobicContact CB-CE3 3.92Å; P720-W784 HydrophobicContact CB-CH2 3.82Å; P720-W784 HydrophobicContact CB-CZ2 4.45Å; P720-W784 HydrophobicContact CB-CZ3 3.52Å; P720-W784 HydrophobicContact CG-CD2 3.87Å; P720-W784 HydrophobicContact CG-CE3 3.71Å; P720-W784 HydrophobicContact CG-CH2 3.97Å; P720-W784 HydrophobicContact CG-CZ2 4.12Å; P720-W784 HydrophobicContact CG-CZ3 3.76Å; P720-V785 HydrophobicContact CG-CG2 3.87Å; P720-V785 WeakPolarHBondContact O-CG2 3.38Å; P720-L788 HydrophobicContact CG-CD1 4.07Å
721	L	98.3	Very high	96.2	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.063	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-82.2	125.4	-174.9	-56.7	-177.8	0	0	0	110.2	D523 P641 V719 Y723 I729 L737 H738	D523-L721 HydrophobicContact CB-CD1 4.26Å; P641-L721 HydrophobicContact CG-CG 4.26Å; V719-L721 HydrophobicContact CG1-CD2 4.22Å; L721-Y723 VanDerWaalsContact C-N 3.29Å; L721-Y723 WeakPolarHBondContact CB-O 3.32Å; L721-I729 HydrophobicContact CB-CD1 4.37Å; L721-I729 WeakPolarHBondContact O-CG2 3.41Å; L721-L737 HydrophobicContact CD1-CD1 4.49Å; L721-H738 PolarHBondContact N-NE2 3.11Å; L721-H738 PolarHBondContact O-CE1 2.88Å; L721-H738 VanDerWaalsContact O-CE1 3.29Å; L721-H738 PolarHBondContact O-NE2 2.64Å
722	A	97.8	Very high	96.1	Very high	9 Å²	9	51.5 Å²	51.5	7%	0.074	24%	0.237	C	C	.	.	S	Bend	trans	-80.2	-16	170.3	0	0	0	0	0	112.1	T527 I729	T527-A722 HydrophobicContact CG2-CB 3.91Å; T527-A722 PolarHBondContact OG1-N 3Å; T527-A722 VanDerWaalsContact OG1-N 3.1Å; A722-I729 WeakPolarHBondContact O-CG2 3.45Å; A722-I729 PolarHBondContact O-N 3.09Å
723	Y	97.3	Very high	96.1	Very high	23 Å²	23	52.6 Å²	52.6	9%	0.09	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.4	-178	-59	-88	0	0	0	111.3	D523 L526 H530 L721 Q727 P728	D523-Y723 WeakPolarHBondContact CB-O 3.31Å; D523-Y723 WeakPolarHBondContact OD1-CB 3.24Å; L526-Y723 HydrophobicContact CD2-CD1 3.92Å; L526-Y723 HydrophobicContact CD2-CD2 4.02Å; L526-Y723 HydrophobicContact CD2-CG 3.67Å; L526-Y723 HydrophobicContact CG-CD1 4.49Å; L526-Y723 HydrophobicContact CG-CD2 3.81Å; L526-Y723 HydrophobicContact CG-CE2 4.17Å; L526-Y723 HydrophobicContact CG-CG 4.01Å; H530-Y723 HydrophobicContact CB-CE2 4.45Å; H530-Y723 AromaticContact CD2-CE2 3.43Å; H530-Y723 VanDerWaalsContact CD2-CE2 3.43Å; H530-Y723 WeakPolarHBondContact CD2-CE2 3.02Å; H530-Y723 AromaticContact CD2-CZ 3.5Å; H530-Y723 VanDerWaalsContact CD2-CZ 3.5Å; H530-Y723 PolarHBondContact CD2-OH 3.49Å; H530-Y723 AromaticContact NE2-CZ 3.7Å; H530-Y723 PolarHBondContact NE2-OH 3.34Å; L721-Y723 VanDerWaalsContact C-N 3.29Å; L721-Y723 WeakPolarHBondContact CB-O 3.32Å; Y723-Q727 CarbonylContact C-O 3.58Å; Y723-Q727 WeakPolarHBondContact CA-O 3.35Å; Y723-P728 HydrophobicContact CE1-CG 4.44Å
724	N	96.8	Very high	96.1	Very high	29 Å²	29	50.3 Å²	50.3	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	125.2	166.8	178.4	31.2	0	0	0	108.1	D523 H726 Q727 I729 D733	D523-N724 WeakPolarHBondContact OD1-CA 3.49Å; D523-N724 PolarHBondContact OD1-N 2.89Å; N724-H726 PolarHBondContact O-N 2.9Å; N724-Q727 PolarHBondContact N-O 2.74Å; N724-Q727 PolarHBondContact O-N 3.1Å; N724-I729 HydrophobicContact CB-CB 4.49Å; N724-I729 HydrophobicContact CB-CD1 4.29Å; N724-I729 HydrophobicContact CB-CG1 4.02Å; N724-D733 PolarHBondContact ND2-OD1 3.28Å; N724-D733 PolarHBondContact ND2-OD2 2.9Å
725	K	95.6	Very high	95.8	Very high	161 Å²	161	54.4 Å²	54.4	70%	0.7	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	42.7	-172.1	-53.1	171	-175.2	170.2	0	111.8	D523 Q727	D523-K725 VanDerWaalsContact CG-N 3.33Å; D523-K725 PolarHBondContact OD1-N 3.3Å; D523-K725 VanDerWaalsContact OD1-N 3.16Å; D523-K725 PolarHBondContact OD2-N 3.17Å; K725-Q727 PolarHBondContact O-N 3.04Å; K725-Q727 VanDerWaalsContact O-N 3.1Å
726	H	96	Very high	95.6	Very high	45 Å²	45	57 Å²	57	21%	0.208	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	13.3	178.5	-43.9	94.7	0	0	0	115.1	V518 L521 D523 L526 N724	V518-H726 PolarHBondContact O-CD2 2.72Å; L521-H726 PolarHBondContact O-NE2 2.94Å; D523-H726 PolarHBondContact OD1-N 3.02Å; L526-H726 HydrophobicContact CD2-CB 4.35Å; N724-H726 PolarHBondContact O-N 2.9Å
727	Q	95.8	Very high	95.4	Very high	131 Å²	131	57 Å²	57	61%	0.612	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	152.8	176.3	-67.1	-61.1	-57.3	0	0	110.5	Y723 N724 K725 I729	Y723-Q727 CarbonylContact C-O 3.58Å; Y723-Q727 WeakPolarHBondContact CA-O 3.35Å; N724-Q727 PolarHBondContact N-O 2.74Å; N724-Q727 PolarHBondContact O-N 3.1Å; K725-Q727 PolarHBondContact O-N 3.04Å; K725-Q727 VanDerWaalsContact O-N 3.1Å; Q727-I729 PolarHBondContact O-N 2.81Å
728	P	96.8	Very high	95.4	Very high	91 Å²	91	56.9 Å²	56.9	59%	0.591	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	130.2	176.5	-26.7	35.3	0	0	0	111.8	Y723	Y723-P728 HydrophobicContact CE1-CG 4.44Å
729	I	96.9	Very high	95.2	Very high	14 Å²	14	60 Å²	60	7%	0.072	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-66.6	141.5	-170.7	-164.6	165.3	0	0	0	112.2	L721 A722 N724 Q727 D733 T734 L737 L781	L721-I729 HydrophobicContact CB-CD1 4.37Å; L721-I729 WeakPolarHBondContact O-CG2 3.41Å; A722-I729 WeakPolarHBondContact O-CG2 3.45Å; A722-I729 PolarHBondContact O-N 3.09Å; N724-I729 HydrophobicContact CB-CB 4.49Å; N724-I729 HydrophobicContact CB-CD1 4.29Å; N724-I729 HydrophobicContact CB-CG1 4.02Å; Q727-I729 PolarHBondContact O-N 2.81Å; I729-D733 HydrophobicContact CD1-CB 4.1Å; I729-D733 HydrophobicContact CG1-CB 3.79Å; I729-T734 HydrophobicContact CB-CG2 4.25Å; I729-T734 HydrophobicContact CD1-CG2 3.83Å; I729-T734 HydrophobicContact CG1-CG2 3.76Å; I729-T734 HydrophobicContact CG2-CG2 3.53Å; I729-L737 HydrophobicContact CD1-CD1 4Å; I729-L781 HydrophobicContact CG2-CD2 3.37Å
730	R	94.8	Very high	94.9	Very high	165 Å²	165	60.6 Å²	60.6	62%	0.623	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-95.1	154.9	179.7	-62.1	180	176.9	-172.9	-2.1	111.6	E732 D733 T734	R730-E732 HydrophobicContact CB-CG 3.8Å; R730-E732 WeakPolarHBondContact CD-OE1 3.12Å; R730-E732 IonicContact CZ-OE1 2.84Å; R730-E732 IonicContact NE-OE1 2.72Å; R730-E732 IonicContact NH1-OE1 3.48Å; R730-E732 PolarHBondContact NH1-OE1 3.15Å; R730-E732 PolarHBondContact O-N 3.39Å; R730-D733 WeakPolarHBondContact O-CA 3.44Å; R730-D733 PolarHBondContact O-N 3.16Å; R730-T734 PolarHBondContact O-N 2.71Å
731	Q	91	Very high	94.7	Very high	126 Å²	126	60.8 Å²	60.8	59%	0.589	29%	0.287	S	S	*	.	H	α-helix	trans	-59.4	-29.1	-179.3	-164.2	178.6	26.3	0	0	113.7	D733 T734 T777	Q731-D733 VanDerWaalsContact C-N 3.31Å; Q731-T734 WeakPolarHBondContact CA-OG1 3.43Å; Q731-T734 PolarHBondContact O-OG1 3.1Å; Q731-T777 HydrophobicContact CB-CG2 4.14Å
732	E	88.6	Confident	94.1	Very high	125 Å²	125	64.2 Å²	64.2	58%	0.584	32%	0.317	S	S	*	.	H	α-helix	trans	-64.1	-33	172.3	60.1	-170.7	154.5	0	0	112.9	R730	R730-E732 HydrophobicContact CB-CG 3.8Å; R730-E732 WeakPolarHBondContact CD-OE1 3.12Å; R730-E732 IonicContact CZ-OE1 2.84Å; R730-E732 IonicContact NE-OE1 2.72Å; R730-E732 IonicContact NH1-OE1 3.48Å; R730-E732 PolarHBondContact NH1-OE1 3.15Å; R730-E732 PolarHBondContact O-N 3.39Å
733	D	93.5	Very high	93.4	Very high	25 Å²	25	73.6 Å²	73.6	13%	0.134	36%	0.356	C	S	.	.	H	α-helix	trans	-90.8	-33.6	179.8	-79	-53	0	0	0	113.1	N724 I729 R730 Q731 L735 R736 L737	N724-D733 PolarHBondContact ND2-OD1 3.28Å; N724-D733 PolarHBondContact ND2-OD2 2.9Å; I729-D733 HydrophobicContact CD1-CB 4.1Å; I729-D733 HydrophobicContact CG1-CB 3.79Å; R730-D733 WeakPolarHBondContact O-CA 3.44Å; R730-D733 PolarHBondContact O-N 3.16Å; Q731-D733 VanDerWaalsContact C-N 3.31Å; D733-L735 PolarHBondContact O-N 2.97Å; D733-R736 CarbonylContact O-C 3.58Å; D733-R736 WeakPolarHBondContact O-CB 3.49Å; D733-R736 PolarHBondContact O-N 3.03Å; D733-R736 VanDerWaalsContact O-N 3.09Å; D733-R736 IonicContact OD1-CZ 3.43Å; D733-R736 IonicContact OD1-NE 2.64Å; D733-R736 PolarHBondContact OD1-NE 2.84Å; D733-R736 VanDerWaalsContact OD1-NE 3.16Å; D733-R736 IonicContact OD1-NH2 3.23Å; D733-R736 PolarHBondContact OD1-NH2 3Å; D733-L737 HydrophobicContact CB-CD1 4.33Å; D733-L737 WeakPolarHBondContact O-CB 3.41Å; D733-L737 WeakPolarHBondContact O-CG 3.49Å; D733-L737 PolarHBondContact O-N 2.85Å
734	T	93.3	Very high	92.7	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-45.5	179.4	57	0	0	0	0	111.4	I729 R730 Q731 R736 L737 H738 A774 L776 T777 L781	I729-T734 HydrophobicContact CB-CG2 4.25Å; I729-T734 HydrophobicContact CD1-CG2 3.83Å; I729-T734 HydrophobicContact CG1-CG2 3.76Å; I729-T734 HydrophobicContact CG2-CG2 3.53Å; R730-T734 PolarHBondContact O-N 2.71Å; Q731-T734 WeakPolarHBondContact CA-OG1 3.43Å; Q731-T734 PolarHBondContact O-OG1 3.1Å; T734-R736 PolarHBondContact O-N 2.6Å; T734-L737 PolarHBondContact O-N 3.12Å; T734-H738 VanDerWaalsContact O-CB 3.24Å; T734-H738 WeakPolarHBondContact O-CB 3.45Å; T734-H738 PolarHBondContact O-N 3.4Å; T734-A774 CarbonylContact C-O 3.58Å; T734-A774 WeakPolarHBondContact CB-O 3.19Å; T734-A774 PolarHBondContact OG1-O 2.78Å; T734-L776 WeakPolarHBondContact CG2-O 3.29Å; T734-T777 HydrophobicContact CG2-CG2 3.92Å; T734-L781 HydrophobicContact CG2-CD2 4.26Å
735	L	90.1	Very high	92.3	Very high	87 Å²	87	76.4 Å²	76.4	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-30.1	174.1	-68.8	175.8	0	0	0	113.1	D733 N739 A774 A775	D733-L735 PolarHBondContact O-N 2.97Å; L735-N739 WeakPolarHBondContact O-CB 3.38Å; L735-A774 PolarHBondContact N-O 3.38Å; L735-A775 HydrophobicContact CD2-CB 3.89Å
736	R	92.7	Very high	92.2	Very high	143 Å²	143	69 Å²	69	54%	0.54	34%	0.344	S	S	.	.	H	α-helix	trans	-79.2	-31	178.8	-173.9	175.5	67.2	83	-0.2	113.1	D733 T734	D733-R736 CarbonylContact O-C 3.58Å; D733-R736 WeakPolarHBondContact O-CB 3.49Å; D733-R736 PolarHBondContact O-N 3.03Å; D733-R736 VanDerWaalsContact O-N 3.09Å; D733-R736 IonicContact OD1-CZ 3.43Å; D733-R736 IonicContact OD1-NE 2.64Å; D733-R736 PolarHBondContact OD1-NE 2.84Å; D733-R736 VanDerWaalsContact OD1-NE 3.16Å; D733-R736 IonicContact OD1-NH2 3.23Å; D733-R736 PolarHBondContact OD1-NH2 3Å; T734-R736 PolarHBondContact O-N 2.6Å
737	L	95.3	Very high	92	Very high	7 Å²	7	69 Å²	69	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-105.6	-26.9	-172.8	-69.2	166.9	0	0	0	113.9	P641 M642 P694 L721 I729 D733 T734	P641-L737 WeakPolarHBondContact CB-O 3.44Å; M642-L737 HydrophobicContact CG-CD2 4.05Å; M642-L737 HydrophobicContact SD-CD2 4.01Å; P694-L737 WeakPolarHBondContact CB-O 3.38Å; L721-L737 HydrophobicContact CD1-CD1 4.49Å; I729-L737 HydrophobicContact CD1-CD1 4Å; D733-L737 HydrophobicContact CB-CD1 4.33Å; D733-L737 WeakPolarHBondContact O-CB 3.41Å; D733-L737 WeakPolarHBondContact O-CG 3.49Å; D733-L737 PolarHBondContact O-N 2.85Å; T734-L737 PolarHBondContact O-N 3.12Å
738	H	97.1	Very high	91.6	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.009	36%	0.361	C	S	.	.	S	Bend	trans	-105.6	-9.6	-170.5	-57.2	160.9	0	0	0	114.8	P697 L721 T734 G740 A774 W784	P697-H738 WeakPolarHBondContact CD-O 3.19Å; P697-H738 HydrophobicContact CG-CB 3.99Å; L721-H738 PolarHBondContact N-NE2 3.11Å; L721-H738 PolarHBondContact O-CE1 2.88Å; L721-H738 VanDerWaalsContact O-CE1 3.29Å; L721-H738 PolarHBondContact O-NE2 2.64Å; T734-H738 VanDerWaalsContact O-CB 3.24Å; T734-H738 WeakPolarHBondContact O-CB 3.45Å; T734-H738 PolarHBondContact O-N 3.4Å; H738-G740 VanDerWaalsContact C-N 3.32Å; H738-G740 PolarHBondContact O-N 2.95Å; H738-A774 HydrophobicContact CB-CB 3.87Å; H738-W784 HydrophobicContact CB-CH2 4.43Å; H738-W784 HydrophobicContact CB-CZ3 4.34Å
739	N	94	Very high	91.2	Very high	66 Å²	66	74 Å²	74	35%	0.353	36%	0.361	S	S	.	.	S	Bend	trans	-80.3	-13.3	-176.1	-154.9	7	0	0	0	113.2	R696 L735 A774	R696-N739 PolarHBondContact NE-O 3.44Å; R696-N739 PolarHBondContact NH2-O 3.36Å; L735-N739 WeakPolarHBondContact O-CB 3.38Å; N739-A774 HydrophobicContact CB-CB 4.16Å
740	G	93.8	Very high	90.7	Very high	11 Å²	11	77.3 Å²	77.3	11%	0.113	39%	0.385	C	S	.	.			trans	87	-172.6	-170.4	0	0	0	0	0	112.8	P694 H738	P694-G740 CarbonylContact O-C 3.55Å; P694-G740 VanDerWaalsContact O-C 3.25Å; P694-G740 WeakPolarHBondContact O-CA 3.48Å; H738-G740 VanDerWaalsContact C-N 3.32Å; H738-G740 PolarHBondContact O-N 2.95Å
741	P	93.3	Very high	90.3	Very high	5 Å²	5	70 Å²	70	3%	0.032	36%	0.358	C	S	.	.	S	Bend	trans	-74.3	158.6	-173.2	32.8	-38	0	0	0	111.9	N692 P694 K743 N744 Y746	N692-P741 HydrophobicContact CB-CB 4Å; P694-P741 VanDerWaalsContact O-CD 3.25Å; P694-P741 WeakPolarHBondContact O-CD 3.33Å; P694-P741 VanDerWaalsContact O-N 3.13Å; P741-K743 PolarHBondContact O-N 3.03Å; P741-N744 PolarHBondContact O-N 3.18Å; P741-Y746 VanDerWaalsContact CD-CE1 3.4Å; P741-Y746 HydrophobicContact CG-CD1 3.62Å; P741-Y746 HydrophobicContact CG-CD2 4.45Å; P741-Y746 HydrophobicContact CG-CE1 3.51Å; P741-Y746 HydrophobicContact CG-CE2 4.39Å; P741-Y746 HydrophobicContact CG-CG 4.1Å
742	A	86.7	Confident	89.9	Confident	84 Å²	84	69.1 Å²	69.1	69%	0.694	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52.2	135.1	175.7	0	0	0	0	0	111.5	N744 S745	A742-N744 PolarHBondContact O-N 2.86Å; A742-N744 VanDerWaalsContact O-N 3.11Å; A742-S745 PolarHBondContact O-N 3.36Å
743	K	82.6	Confident	89.7	Confident	205 Å²	205	66.2 Å²	66.2	89%	0.891	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	58.8	14.7	-177.4	-47.6	176.2	-176.2	174.1	0	115.2	P741 S745	P741-K743 PolarHBondContact O-N 3.03Å; K743-S745 PolarHBondContact O-N 3.17Å
744	N	82.1	Confident	89.4	Confident	66 Å²	66	66.7 Å²	66.7	35%	0.353	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	58.9	20.6	-171.3	-55.2	-37.3	0	0	0	114.4	R696 P741 A742	R696-N744 PolarHBondContact NH2-OD1 3.22Å; P741-N744 PolarHBondContact O-N 3.18Å; A742-N744 PolarHBondContact O-N 2.86Å; A742-N744 VanDerWaalsContact O-N 3.11Å
745	S	89.1	Confident	89	Confident	46 Å²	46	67.4 Å²	67.4	32%	0.322	36%	0.363	S	S	.	.			trans	-97.4	107.8	-177.5	160.3	0	0	0	0	109.9	N692 A742 K743 M747	N692-S745 WeakPolarHBondContact CB-O 3.39Å; N692-S745 PolarHBondContact ND2-O 2.87Å; A742-S745 PolarHBondContact O-N 3.36Å; K743-S745 PolarHBondContact O-N 3.17Å; S745-M747 PolarHBondContact OG-O 3.09Å
746	Y	93.5	Very high	88.8	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.016	37%	0.374	C	S	.	.	S	Bend	trans	-80.1	-23.2	174	-66.1	-76.3	0	0	0	113.1	D665 V669 A671 L691 N692 L695 R696 W700 P741	D665-Y746 HydrophobicContact CB-CE2 3.87Å; D665-Y746 WeakPolarHBondContact OD2-CE2 3.34Å; D665-Y746 PolarHBondContact OD2-OH 2.85Å; V669-Y746 HydrophobicContact CB-CE2 4.38Å; V669-Y746 HydrophobicContact CG1-CD2 4.23Å; V669-Y746 HydrophobicContact CG1-CE2 4.16Å; A671-Y746 HydrophobicContact CB-CD1 4.36Å; A671-Y746 HydrophobicContact CB-CD2 3.47Å; A671-Y746 VanDerWaalsContact CB-CD2 3.47Å; A671-Y746 HydrophobicContact CB-CE2 4.11Å; A671-Y746 HydrophobicContact CB-CG 3.61Å; L691-Y746 CarbonylContact C-O 3.55Å; L691-Y746 WeakPolarHBondContact CA-O 3.32Å; N692-Y746 PolarHBondContact N-O 2.8Å; N692-Y746 PolarHBondContact ND2-O 3.5Å; L695-Y746 HydrophobicContact CD2-CD1 4.21Å; L695-Y746 HydrophobicContact CD2-CE1 4.17Å; R696-Y746 WeakPolarHBondContact CB-OH 3.27Å; W700-Y746 AromaticContact CH2-CD1 3.94Å; W700-Y746 HydrophobicContact CH2-CD1 3.94Å; W700-Y746 AromaticContact CH2-CE1 3.48Å; W700-Y746 HydrophobicContact CH2-CE1 3.48Å; W700-Y746 VanDerWaalsContact CH2-CE1 3.48Å; W700-Y746 HydrophobicContact CH2-CE2 4.17Å; W700-Y746 HydrophobicContact CH2-CG 4.48Å; W700-Y746 AromaticContact CH2-CZ 3.6Å; W700-Y746 AromaticContact CZ2-CE1 3.76Å; W700-Y746 HydrophobicContact CZ2-CE1 3.76Å; W700-Y746 AromaticContact CZ2-CZ 3.82Å; P741-Y746 VanDerWaalsContact CD-CE1 3.4Å; P741-Y746 HydrophobicContact CG-CD1 3.62Å; P741-Y746 HydrophobicContact CG-CD2 4.45Å; P741-Y746 HydrophobicContact CG-CE1 3.51Å; P741-Y746 HydrophobicContact CG-CE2 4.39Å; P741-Y746 HydrophobicContact CG-CG 4.1Å
747	M	91.3	Very high	88.5	Confident	45 Å²	45	66 Å²	66	22%	0.222	38%	0.375	C	S	.	.	S	Bend	trans	-142.2	161.6	175.7	-66.4	-177.2	67.7	0	0	109.6	A672 P690 S745 Q749 F751	A672-M747 HydrophobicContact CB-SD 3.62Å; P690-M747 HydrophobicContact CG-CE 4.2Å; S745-M747 PolarHBondContact OG-O 3.09Å; M747-Q749 PolarHBondContact O-N 3.29Å; M747-F751 HydrophobicContact CB-CE2 4.42Å; M747-F751 HydrophobicContact SD-CE2 3.93Å; M747-F751 HydrophobicContact SD-CZ 4.26Å
748	E	86.8	Confident	88	Confident	204 Å²	204	66.5 Å²	66.5	95%	0.953	38%	0.378	S	S	*	.	S	Bend	trans	-60.7	-33.6	172	-63.2	-171.2	151.8	0	0	112.2
749	Q	88.2	Confident	87.5	Confident	124 Å²	124	72.8 Å²	72.8	58%	0.579	41%	0.412	S	S	*	.	S	Bend	trans	-81.2	130.4	174.5	-173	173.7	-0.7	0	0	110.7	M747 F751	M747-Q749 PolarHBondContact O-N 3.29Å; Q749-F751 HydrophobicContact CB-CE1 4.23Å; Q749-F751 HydrophobicContact CB-CE2 4.44Å; Q749-F751 HydrophobicContact CB-CZ 3.85Å; Q749-F751 VanDerWaalsContact CD-CE1 3.41Å; Q749-F751 HydrophobicContact CG-CD1 4.31Å; Q749-F751 HydrophobicContact CG-CE1 3.6Å; Q749-F751 HydrophobicContact CG-CZ 3.76Å; Q749-F751 WeakPolarHBondContact O-CE2 3.24Å
750	S	86.8	Confident	87.1	Confident	84 Å²	84	69.8 Å²	69.8	59%	0.587	40%	0.396	S	S	*	.			trans	-91.8	141.9	173.1	-174.4	0	0	0	0	111.5	H752	S750-H752 PolarHBondContact OG-CD2 3.47Å
751	F	86.6	Confident	86.7	Confident	12 Å²	12	73.4 Å²	73.4	5%	0.053	42%	0.417	C	S	.	.			trans	-116.5	10.1	-177.3	-56.8	-65.7	0	0	0	113.9	I670 T673 M747 Q749 G753 L754	I670-F751 HydrophobicContact CB-CB 3.91Å; I670-F751 HydrophobicContact CG2-CB 3.59Å; I670-F751 HydrophobicContact CG2-CD2 4.34Å; I670-F751 HydrophobicContact CG2-CG 4.17Å; T673-F751 HydrophobicContact CG2-CD1 3.53Å; T673-F751 HydrophobicContact CG2-CE1 3.57Å; T673-F751 HydrophobicContact CG2-CG 4.24Å; T673-F751 HydrophobicContact CG2-CZ 4.31Å; M747-F751 HydrophobicContact CB-CE2 4.42Å; M747-F751 HydrophobicContact SD-CE2 3.93Å; M747-F751 HydrophobicContact SD-CZ 4.26Å; Q749-F751 HydrophobicContact CB-CE1 4.23Å; Q749-F751 HydrophobicContact CB-CE2 4.44Å; Q749-F751 HydrophobicContact CB-CZ 3.85Å; Q749-F751 VanDerWaalsContact CD-CE1 3.41Å; Q749-F751 HydrophobicContact CG-CD1 4.31Å; Q749-F751 HydrophobicContact CG-CE1 3.6Å; Q749-F751 HydrophobicContact CG-CZ 3.76Å; Q749-F751 WeakPolarHBondContact O-CE2 3.24Å; F751-G753 PolarHBondContact O-N 2.89Å; F751-L754 WeakPolarHBondContact O-CB 3.46Å; F751-L754 PolarHBondContact O-N 3.47Å
752	H	83	Confident	85.8	Confident	107 Å²	107	76.6 Å²	76.6	50%	0.495	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.3	-175.7	-68.7	-48.3	0	0	0	114.7	S750 L754 N755	S750-H752 PolarHBondContact OG-CD2 3.47Å; H752-L754 PolarHBondContact O-N 3.47Å; H752-N755 WeakPolarHBondContact CA-OD1 3.4Å; H752-N755 WeakPolarHBondContact O-CB 3.33Å; H752-N755 PolarHBondContact O-N 2.92Å
753	G	84.4	Confident	85.5	Confident	63 Å²	63	74.6 Å²	74.6	65%	0.649	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.1	174.4	0	0	0	0	0	114.6	F751	F751-G753 PolarHBondContact O-N 2.89Å
754	L	87.5	Confident	85.5	Confident	36 Å²	36	71.1 Å²	71.1	19%	0.188	41%	0.408	C	S	.	.	H	α-helix	trans	-89.7	-14	177.4	-58.7	-178.2	0	0	0	113.4	I670 T673 W708 F751 H752 V757 L758	I670-L754 HydrophobicContact CD1-CB 3.74Å; T673-L754 HydrophobicContact CG2-CD1 3.84Å; W708-L754 HydrophobicContact CH2-CD2 3.79Å; W708-L754 HydrophobicContact CZ3-CD2 4.02Å; F751-L754 WeakPolarHBondContact O-CB 3.46Å; F751-L754 PolarHBondContact O-N 3.47Å; H752-L754 PolarHBondContact O-N 3.47Å; L754-V757 PolarHBondContact O-N 3.34Å; L754-L758 HydrophobicContact CB-CD1 4.19Å; L754-L758 HydrophobicContact CB-CG 4.48Å; L754-L758 WeakPolarHBondContact O-CB 3.23Å; L754-L758 WeakPolarHBondContact O-CG 3.22Å; L754-L758 PolarHBondContact O-N 2.77Å
755	N	85.2	Confident	85.8	Confident	14 Å²	14	70.6 Å²	70.6	8%	0.075	41%	0.413	C	S	.	.	H	α-helix	trans	-56.6	-43.2	179.3	-81.6	91	0	0	0	113	N668 H752 N759 I760 V762	N668-N755 PolarHBondContact O-ND2 2.98Å; H752-N755 WeakPolarHBondContact CA-OD1 3.4Å; H752-N755 WeakPolarHBondContact O-CB 3.33Å; H752-N755 PolarHBondContact O-N 2.92Å; N755-N759 PolarHBondContact O-N 2.93Å; N755-I760 WeakPolarHBondContact CB-O 3.47Å; N755-I760 WeakPolarHBondContact ND2-CG2 3.43Å; N755-I760 PolarHBondContact ND2-O 3.4Å; N755-I760 PolarHBondContact O-N 2.83Å; N755-V762 WeakPolarHBondContact ND2-CG2 3.41Å
756	P	85.6	Confident	85.7	Confident	107 Å²	107	74.4 Å²	74.4	70%	0.695	42%	0.421	S	S	*	.	H	α-helix	trans	-68	-43	173.4	-19.9	33.4	0	0	0	112.8	L758 N759	P756-L758 VanDerWaalsContact C-N 3.31Å; P756-L758 PolarHBondContact O-N 2.85Å; P756-N759 PolarHBondContact O-N 2.87Å
757	V	85.8	Confident	85.4	Confident	93 Å²	93	75.5 Å²	75.5	56%	0.564	43%	0.428	S	S	*	.	H	α-helix	trans	-61.6	-38.5	-176.1	-177.5	0	0	0	0	111.9	W708 L754	W708-V757 HydrophobicContact CE3-CG1 3.87Å; W708-V757 HydrophobicContact CZ3-CG1 4.03Å; L754-V757 PolarHBondContact O-N 3.34Å
758	L	84.8	Confident	85.3	Confident	19 Å²	19	78.4 Å²	78.4	10%	0.099	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	4.7	-177.5	-60.7	-179.4	0	0	0	113.7	V662 I670 R703 L705 W708 L754 P756 I760	V662-L758 HydrophobicContact CB-CD1 4.43Å; V662-L758 HydrophobicContact CG1-CD1 3.86Å; V662-L758 HydrophobicContact CG2-CD1 3.97Å; I670-L758 HydrophobicContact CD1-CD1 4.19Å; R703-L758 PolarHBondContact NH1-O 2.85Å; L705-L758 HydrophobicContact CD1-CD2 3.47Å; L705-L758 VanDerWaalsContact CD1-CD2 3.47Å; W708-L758 HydrophobicContact CE3-CD2 3.76Å; W708-L758 HydrophobicContact CZ3-CD2 3.96Å; L754-L758 HydrophobicContact CB-CD1 4.19Å; L754-L758 HydrophobicContact CB-CG 4.48Å; L754-L758 WeakPolarHBondContact O-CB 3.23Å; L754-L758 WeakPolarHBondContact O-CG 3.22Å; L754-L758 PolarHBondContact O-N 2.77Å; P756-L758 VanDerWaalsContact C-N 3.31Å; P756-L758 PolarHBondContact O-N 2.85Å; L758-I760 HydrophobicContact CB-CD1 3.56Å; L758-I760 HydrophobicContact CB-CG1 3.86Å; L758-I760 HydrophobicContact CD1-CD1 3.97Å; L758-I760 HydrophobicContact CG-CD1 4.44Å
759	N	86.4	Confident	85.6	Confident	133 Å²	133	76.2 Å²	76.2	71%	0.711	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	56.6	-171.4	-165.8	14.3	0	0	0	112.5	N755 P756 P761	N755-N759 PolarHBondContact O-N 2.93Å; P756-N759 PolarHBondContact O-N 2.87Å; N759-P761 WeakPolarHBondContact O-CD 3.29Å
760	I	86.2	Confident	85.8	Confident	4 Å²	4	71.1 Å²	71.1	2%	0.021	40%	0.403	C	S	.	.			trans	-116	82.7	178.2	-58.6	168.9	0	0	0	107.7	I664 N668 I670 N755 L758 V762	I664-I760 HydrophobicContact CD1-CD1 3.49Å; I664-I760 VanDerWaalsContact CD1-CD1 3.49Å; I664-I760 HydrophobicContact CD1-CG1 4.29Å; I664-I760 HydrophobicContact CG1-CD1 3.98Å; I664-I760 HydrophobicContact CG2-CG2 4.1Å; N668-I760 HydrophobicContact CB-CG2 3.72Å; I670-I760 HydrophobicContact CD1-CD1 4.05Å; I670-I760 HydrophobicContact CG1-CD1 4.11Å; N755-I760 WeakPolarHBondContact CB-O 3.47Å; N755-I760 WeakPolarHBondContact ND2-CG2 3.43Å; N755-I760 PolarHBondContact ND2-O 3.4Å; N755-I760 PolarHBondContact O-N 2.83Å; L758-I760 HydrophobicContact CB-CD1 3.56Å; L758-I760 HydrophobicContact CB-CG1 3.86Å; L758-I760 HydrophobicContact CD1-CD1 3.97Å; L758-I760 HydrophobicContact CG-CD1 4.44Å; I760-V762 PolarHBondContact O-N 2.84Å
761	P	84.2	Confident	86	Confident	87 Å²	87	73 Å²	73	57%	0.565	40%	0.401	S	S	*	.			trans	-71.5	123.2	-179.6	27.9	-34	0	0	0	111.1	N668 N759 S763	N668-P761 PolarHBondContact ND2-O 2.9Å; N759-P761 WeakPolarHBondContact O-CD 3.29Å; P761-S763 PolarHBondContact O-N 2.79Å
762	V	76.3	Confident	86.3	Confident	71 Å²	71	80.1 Å²	80.1	43%	0.43	43%	0.427	S	S	.	.			trans	-75.8	114.2	172.2	-176.3	0	0	0	0	108.7	N755 I760	N755-V762 WeakPolarHBondContact ND2-CG2 3.41Å; I760-V762 PolarHBondContact O-N 2.84Å
763	S	78.9	Confident	86.9	Confident	43 Å²	43	76.2 Å²	76.2	30%	0.301	41%	0.41	S	S	.	.			trans	-97	120.7	177.6	179.6	0	0	0	0	110.8	P761 A765 Y766 V767	P761-S763 PolarHBondContact O-N 2.79Å; S763-A765 PolarHBondContact O-N 3.29Å; S763-A765 PolarHBondContact OG-N 2.69Å; S763-Y766 PolarHBondContact O-N 3Å; S763-V767 PolarHBondContact O-N 2.83Å
764	L	83.1	Confident	87.4	Confident	131 Å²	131	73.2 Å²	73.2	69%	0.686	38%	0.379	S	S	*	.	H	α-helix	trans	-55.9	-36.7	174.3	-68.1	172.2	0	0	0	111.6	Y766 V767 E768	L764-Y766 VanDerWaalsContact C-N 3.29Å; L764-Y766 PolarHBondContact O-N 2.83Å; L764-V767 PolarHBondContact O-N 2.88Å; L764-V767 VanDerWaalsContact O-N 3.1Å; L764-E768 WeakPolarHBondContact O-CG 3.34Å; L764-E768 PolarHBondContact O-N 2.85Å
765	A	88.1	Confident	87.7	Confident	56 Å²	56	73 Å²	73	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-32.4	177.7	0	0	0	0	0	113.2	S763 R769	S763-A765 PolarHBondContact O-N 3.29Å; S763-A765 PolarHBondContact OG-N 2.69Å; A765-R769 VanDerWaalsContact O-CB 3.28Å; A765-R769 WeakPolarHBondContact O-CB 3.06Å; A765-R769 PolarHBondContact O-N 2.71Å
766	Y	87.3	Confident	88.3	Confident	126 Å²	126	74 Å²	74	49%	0.494	39%	0.388	S	S	.	.	H	α-helix	trans	-72	-39.8	172.8	-64.5	-29.5	0	0	0	111.6	S763 L764 R769 A770	S763-Y766 PolarHBondContact O-N 3Å; L764-Y766 VanDerWaalsContact C-N 3.29Å; L764-Y766 PolarHBondContact O-N 2.83Å; Y766-R769 PolarHBondContact O-N 2.9Å; Y766-A770 WeakPolarHBondContact O-CB 3.44Å; Y766-A770 PolarHBondContact O-N 2.99Å
767	V	86.7	Confident	88.8	Confident	26 Å²	26	71.5 Å²	71.5	16%	0.158	37%	0.371	C	S	.	.	H	α-helix	trans	-64.3	-42.1	175.8	179.8	0	0	0	0	111.3	T667 S763 L764 A770 K771	T667-V767 HydrophobicContact CG2-CG2 4.41Å; S763-V767 PolarHBondContact O-N 2.83Å; L764-V767 PolarHBondContact O-N 2.88Å; L764-V767 VanDerWaalsContact O-N 3.1Å; V767-A770 PolarHBondContact O-N 2.96Å; V767-K771 HydrophobicContact CG1-CD 4.5Å; V767-K771 WeakPolarHBondContact O-CG 3.41Å; V767-K771 PolarHBondContact O-N 3.2Å
768	E	90	Very high	89.3	Confident	107 Å²	107	68.9 Å²	68.9	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-33.1	175.8	-72.1	175.8	-179.5	0	0	113.3	L764 R772	L764-E768 WeakPolarHBondContact O-CG 3.34Å; L764-E768 PolarHBondContact O-N 2.85Å; E768-R772 WeakPolarHBondContact O-CG 3.32Å; E768-R772 PolarHBondContact O-N 3.41Å; E768-R772 PolarHBondContact O-NE 2.98Å; E768-R772 VanDerWaalsContact O-NE 3.16Å
769	R	92.4	Very high	89.9	Confident	158 Å²	158	73.2 Å²	73.2	60%	0.596	39%	0.392	S	S	*	.	H	α-helix	trans	-68.1	-46.6	171.3	-171.7	175.6	-176.3	-177.9	0	110.5	A765 Y766 K771 R772 N773	A765-R769 VanDerWaalsContact O-CB 3.28Å; A765-R769 WeakPolarHBondContact O-CB 3.06Å; A765-R769 PolarHBondContact O-N 2.71Å; Y766-R769 PolarHBondContact O-N 2.9Å; R769-K771 PolarHBondContact O-N 3.41Å; R769-R772 PolarHBondContact O-N 3.35Å; R769-N773 WeakPolarHBondContact O-CB 3.37Å; R769-N773 PolarHBondContact O-N 3.35Å; R769-N773 PolarHBondContact O-OD1 3.18Å
770	A	91.8	Very high	90.4	Very high	17 Å²	17	73.5 Å²	73.5	14%	0.14	39%	0.389	C	S	.	.	H	α-helix	trans	-58.9	-43.9	176.9	0	0	0	0	0	112.2	T667 Y766 V767 R772 N773 A774	T667-A770 HydrophobicContact CG2-CB 3.65Å; Y766-A770 WeakPolarHBondContact O-CB 3.44Å; Y766-A770 PolarHBondContact O-N 2.99Å; V767-A770 PolarHBondContact O-N 2.96Å; A770-R772 PolarHBondContact O-N 3.16Å; A770-N773 PolarHBondContact O-N 2.86Å; A770-A774 WeakPolarHBondContact O-CB 3.15Å; A770-A774 PolarHBondContact O-N 2.96Å
771	K	91.4	Very high	90.9	Very high	123 Å²	123	73.4 Å²	73.4	54%	0.535	39%	0.389	S	S	.	.	H	α-helix	trans	-60.8	-40.9	175	-77	176.9	177.8	-178.8	0	113.4	V767 R769	V767-K771 HydrophobicContact CG1-CD 4.5Å; V767-K771 WeakPolarHBondContact O-CG 3.41Å; V767-K771 PolarHBondContact O-N 3.2Å; R769-K771 PolarHBondContact O-N 3.41Å
772	R	93.7	Very high	91.6	Very high	161 Å²	161	72 Å²	72	61%	0.608	37%	0.374	S	S	*	.	H	α-helix	trans	-67.1	-48.2	175	-78.2	179.9	-76.9	174.2	-9.2	111.2	E768 R769 A770 A774 A775	E768-R772 WeakPolarHBondContact O-CG 3.32Å; E768-R772 PolarHBondContact O-N 3.41Å; E768-R772 PolarHBondContact O-NE 2.98Å; E768-R772 VanDerWaalsContact O-NE 3.16Å; R769-R772 PolarHBondContact O-N 3.35Å; A770-R772 PolarHBondContact O-N 3.16Å; R772-A774 VanDerWaalsContact C-N 3.25Å; R772-A774 PolarHBondContact O-N 2.77Å; R772-A775 PolarHBondContact O-N 2.77Å; R772-A775 VanDerWaalsContact O-N 3.09Å
773	N	95.8	Very high	92.6	Very high	25 Å²	25	70.9 Å²	70.9	13%	0.134	38%	0.378	C	S	.	.	H	α-helix	trans	-58.8	-35.9	178.3	-77.6	42.6	0	0	0	112.4	R769 A770 A775 L776 W784	R769-N773 WeakPolarHBondContact O-CB 3.37Å; R769-N773 PolarHBondContact O-N 3.35Å; R769-N773 PolarHBondContact O-OD1 3.18Å; A770-N773 PolarHBondContact O-N 2.86Å; N773-A775 PolarHBondContact O-N 3.44Å; N773-L776 HydrophobicContact CB-CD1 4.33Å; N773-L776 WeakPolarHBondContact O-CB 3.37Å; N773-L776 WeakPolarHBondContact O-CG 3.49Å; N773-L776 PolarHBondContact O-N 2.98Å; N773-W784 HydrophobicContact CB-CD2 3.83Å; N773-W784 HydrophobicContact CB-CE3 3.82Å; N773-W784 HydrophobicContact CB-CH2 3.82Å; N773-W784 HydrophobicContact CB-CZ2 3.81Å; N773-W784 HydrophobicContact CB-CZ3 3.82Å; N773-W784 VanDerWaalsContact ND2-CE2 3.29Å; N773-W784 PolarHBondContact ND2-NE1 3.21Å; N773-W784 VanDerWaalsContact ND2-NE1 3.12Å; N773-W784 WeakPolarHBondContact O-CZ3 3.43Å
774	A	94.3	Very high	93.5	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.2	177.7	0	0	0	0	0	114.7	T734 L735 H738 N739 A770 R772	T734-A774 CarbonylContact C-O 3.58Å; T734-A774 WeakPolarHBondContact CB-O 3.19Å; T734-A774 PolarHBondContact OG1-O 2.78Å; L735-A774 PolarHBondContact N-O 3.38Å; H738-A774 HydrophobicContact CB-CB 3.87Å; N739-A774 HydrophobicContact CB-CB 4.16Å; A770-A774 WeakPolarHBondContact O-CB 3.15Å; A770-A774 PolarHBondContact O-N 2.96Å; R772-A774 VanDerWaalsContact C-N 3.25Å; R772-A774 PolarHBondContact O-N 2.77Å
775	A	94.9	Very high	94.3	Very high	33 Å²	33	64.3 Å²	64.3	27%	0.273	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-10.7	178	0	0	0	0	0	114	L735 R772 N773	L735-A775 HydrophobicContact CD2-CB 3.89Å; R772-A775 PolarHBondContact O-N 2.77Å; R772-A775 VanDerWaalsContact O-N 3.09Å; N773-A775 PolarHBondContact O-N 3.44Å
776	L	96.8	Very high	94.8	Very high	35 Å²	35	63.3 Å²	63.3	18%	0.183	32%	0.324	C	S	.	.			trans	-65.6	147.3	-175.1	-60	176.5	0	0	0	112	T734 N773 E780 L781 W784	T734-L776 WeakPolarHBondContact CG2-O 3.29Å; N773-L776 HydrophobicContact CB-CD1 4.33Å; N773-L776 WeakPolarHBondContact O-CB 3.37Å; N773-L776 WeakPolarHBondContact O-CG 3.49Å; N773-L776 PolarHBondContact O-N 2.98Å; L776-E780 HydrophobicContact CB-CB 4.49Å; L776-E780 HydrophobicContact CD2-CB 4.03Å; L776-E780 WeakPolarHBondContact CD2-OE2 3.24Å; L776-L781 HydrophobicContact CB-CB 4.05Å; L776-W784 HydrophobicContact CD1-CB 4.21Å; L776-W784 HydrophobicContact CD1-CE3 4.36Å
777	T	96.5	Very high	95.3	Very high	54 Å²	54	59.6 Å²	59.6	33%	0.331	32%	0.324	S	S	.	.			trans	-139.9	168.6	172.6	54.3	0	0	0	0	109.9	Q731 T734 L781	Q731-T777 HydrophobicContact CB-CG2 4.14Å; T734-T777 HydrophobicContact CG2-CG2 3.92Å; T777-L781 PolarHBondContact O-N 2.8Å
778	G	95.9	Very high	95.8	Very high	38 Å²	38	59 Å²	59	39%	0.392	32%	0.32	S	S	.	.	H	α-helix	trans	57.3	-145	174.8	0	0	0	0	0	113.7	E780 L781 E782	G778-E780 VanDerWaalsContact C-N 3.25Å; G778-E780 PolarHBondContact O-N 3.37Å; G778-E780 VanDerWaalsContact O-N 3.15Å; G778-L781 WeakPolarHBondContact O-CB 3.13Å; G778-L781 PolarHBondContact O-N 2.66Å; G778-E782 PolarHBondContact O-N 3.49Å
779	P	96.3	Very high	96.2	Very high	110 Å²	110	53.9 Å²	53.9	71%	0.714	30%	0.296	S	S	*	.	H	α-helix	trans	-57.9	-29.4	-174.8	-27.9	36.4	0	0	0	115.3	E782 G783	P779-E782 PolarHBondContact O-N 3.01Å; P779-G783 PolarHBondContact O-N 3.11Å
780	E	97.5	Very high	96.5	Very high	139 Å²	139	47.6 Å²	47.6	65%	0.65	28%	0.281	S	S	*	.	H	α-helix	trans	-70.4	-37.8	176.8	-59.2	-169.6	145.8	0	0	111.7	L776 G778 W784	L776-E780 HydrophobicContact CB-CB 4.49Å; L776-E780 HydrophobicContact CD2-CB 4.03Å; L776-E780 WeakPolarHBondContact CD2-OE2 3.24Å; G778-E780 VanDerWaalsContact C-N 3.25Å; G778-E780 PolarHBondContact O-N 3.37Å; G778-E780 VanDerWaalsContact O-N 3.15Å; E780-W784 PolarHBondContact O-N 3.14Å; E780-W784 VanDerWaalsContact O-N 3.13Å
781	L	97.9	Very high	96.8	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-68.3	-41.3	172.3	176.2	60.5	0	0	0	111.1	P720 I729 T734 L776 T777 G778 G783 W784 V785	P720-L781 HydrophobicContact CB-CD1 4.13Å; P720-L781 HydrophobicContact CG-CD1 4.4Å; I729-L781 HydrophobicContact CG2-CD2 3.37Å; T734-L781 HydrophobicContact CG2-CD2 4.26Å; L776-L781 HydrophobicContact CB-CB 4.05Å; T777-L781 PolarHBondContact O-N 2.8Å; G778-L781 WeakPolarHBondContact O-CB 3.13Å; G778-L781 PolarHBondContact O-N 2.66Å; L781-G783 VanDerWaalsContact C-N 3.34Å; L781-G783 PolarHBondContact O-N 3.46Å; L781-W784 HydrophobicContact CD1-CE3 3.72Å; L781-W784 HydrophobicContact CD1-CZ3 4.21Å; L781-W784 PolarHBondContact O-N 2.88Å; L781-W784 VanDerWaalsContact O-N 3.12Å; L781-V785 HydrophobicContact CD1-CG2 4.44Å; L781-V785 WeakPolarHBondContact O-CG2 3.33Å; L781-V785 PolarHBondContact O-N 2.86Å
782	E	97.6	Very high	97	Very high	56 Å²	56	45.8 Å²	45.8	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-40.8	175.7	-65.1	-167.7	124.6	0	0	112.1	R534 G778 P779 W784 V785 D786	R534-E782 IonicContact CZ-OE1 3.62Å; R534-E782 VanDerWaalsContact NH1-CD 3.32Å; R534-E782 IonicContact NH1-OE1 2.75Å; R534-E782 PolarHBondContact NH1-OE1 3.05Å; R534-E782 IonicContact NH1-OE2 3.89Å; R534-E782 IonicContact NH2-OE1 3.64Å; G778-E782 PolarHBondContact O-N 3.49Å; P779-E782 PolarHBondContact O-N 3.01Å; E782-W784 VanDerWaalsContact C-N 3.3Å; E782-W784 PolarHBondContact O-N 2.82Å; E782-V785 PolarHBondContact O-N 2.93Å; E782-D786 WeakPolarHBondContact O-CB 3.25Å; E782-D786 PolarHBondContact O-N 3.2Å
783	G	98.1	Very high	97.3	Very high	49 Å²	49	38.7 Å²	38.7	51%	0.505	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-33.7	172.3	0	0	0	0	0	113.5	P779 L781 G787	P779-G783 PolarHBondContact O-N 3.11Å; L781-G783 VanDerWaalsContact C-N 3.34Å; L781-G783 PolarHBondContact O-N 3.46Å; G783-G787 PolarHBondContact O-N 2.75Å; G783-G787 VanDerWaalsContact O-N 3.1Å
784	W	98.3	Very high	97.4	Very high	35 Å²	35	42.1 Å²	42.1	13%	0.133	26%	0.26	C	S	.	.	H	α-helix	trans	-72.1	-41.3	173	-179.2	31.5	0	0	0	112.4	P697 P720 H738 N773 L776 E780 L781 E782 L788	P697-W784 HydrophobicContact CB-CH2 3.85Å; P697-W784 HydrophobicContact CB-CZ2 4.05Å; P697-W784 HydrophobicContact CG-CH2 4.17Å; P720-W784 HydrophobicContact CB-CE3 3.92Å; P720-W784 HydrophobicContact CB-CH2 3.82Å; P720-W784 HydrophobicContact CB-CZ2 4.45Å; P720-W784 HydrophobicContact CB-CZ3 3.52Å; P720-W784 HydrophobicContact CG-CD2 3.87Å; P720-W784 HydrophobicContact CG-CE3 3.71Å; P720-W784 HydrophobicContact CG-CH2 3.97Å; P720-W784 HydrophobicContact CG-CZ2 4.12Å; P720-W784 HydrophobicContact CG-CZ3 3.76Å; H738-W784 HydrophobicContact CB-CH2 4.43Å; H738-W784 HydrophobicContact CB-CZ3 4.34Å; N773-W784 HydrophobicContact CB-CD2 3.83Å; N773-W784 HydrophobicContact CB-CE3 3.82Å; N773-W784 HydrophobicContact CB-CH2 3.82Å; N773-W784 HydrophobicContact CB-CZ2 3.81Å; N773-W784 HydrophobicContact CB-CZ3 3.82Å; N773-W784 VanDerWaalsContact ND2-CE2 3.29Å; N773-W784 PolarHBondContact ND2-NE1 3.21Å; N773-W784 VanDerWaalsContact ND2-NE1 3.12Å; N773-W784 WeakPolarHBondContact O-CZ3 3.43Å; L776-W784 HydrophobicContact CD1-CB 4.21Å; L776-W784 HydrophobicContact CD1-CE3 4.36Å; E780-W784 PolarHBondContact O-N 3.14Å; E780-W784 VanDerWaalsContact O-N 3.13Å; L781-W784 HydrophobicContact CD1-CE3 3.72Å; L781-W784 HydrophobicContact CD1-CZ3 4.21Å; L781-W784 PolarHBondContact O-N 2.88Å; L781-W784 VanDerWaalsContact O-N 3.12Å; E782-W784 VanDerWaalsContact C-N 3.3Å; E782-W784 PolarHBondContact O-N 2.82Å; W784-L788 HydrophobicContact CD2-CD1 4.47Å; W784-L788 HydrophobicContact CZ2-CD1 4.06Å; W784-L788 WeakPolarHBondContact O-CB 3.46Å; W784-L788 WeakPolarHBondContact O-CG 3.43Å; W784-L788 PolarHBondContact O-N 3.05Å; W784-L788 VanDerWaalsContact O-N 3.08Å
785	V	98.6	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-56.2	172.9	169.2	0	0	0	0	110.1	T527 V719 P720 L781 E782 G787 L788 V789	T527-V785 HydrophobicContact CG2-CG1 3.85Å; T527-V785 HydrophobicContact CG2-CG2 4.12Å; V719-V785 HydrophobicContact CG2-CG1 4Å; P720-V785 HydrophobicContact CG-CG2 3.87Å; P720-V785 WeakPolarHBondContact O-CG2 3.38Å; L781-V785 HydrophobicContact CD1-CG2 4.44Å; L781-V785 WeakPolarHBondContact O-CG2 3.33Å; L781-V785 PolarHBondContact O-N 2.86Å; E782-V785 PolarHBondContact O-N 2.93Å; V785-G787 VanDerWaalsContact C-N 3.31Å; V785-G787 PolarHBondContact O-N 2.91Å; V785-L788 PolarHBondContact O-N 3.19Å; V785-L788 VanDerWaalsContact O-N 3.11Å; V785-V789 HydrophobicContact CG1-CG2 4.16Å; V785-V789 WeakPolarHBondContact O-CG2 3.36Å; V785-V789 PolarHBondContact O-N 2.97Å
786	D	98.4	Very high	97.7	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.193	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-35.4	-174.3	-68.9	2.9	0	0	0	111.9	S531 R534 E782 G790	S531-D786 WeakPolarHBondContact CA-OD1 3.37Å; S531-D786 VanDerWaalsContact CB-OD1 3.26Å; S531-D786 WeakPolarHBondContact CB-OD1 3.5Å; S531-D786 PolarHBondContact OG-OD1 2.94Å; R534-D786 WeakPolarHBondContact CD-OD2 3.5Å; R534-D786 IonicContact CZ-OD1 3.16Å; R534-D786 IonicContact CZ-OD2 3.35Å; R534-D786 IonicContact NE-OD1 2.69Å; R534-D786 PolarHBondContact NE-OD1 2.92Å; R534-D786 IonicContact NE-OD2 2.88Å; R534-D786 PolarHBondContact NE-OD2 2.83Å; R534-D786 IonicContact NH2-OD1 3.82Å; R534-D786 PolarHBondContact NH2-OD1 2.83Å; R534-D786 IonicContact NH2-OD2 2.69Å; E782-D786 WeakPolarHBondContact O-CB 3.25Å; E782-D786 PolarHBondContact O-N 3.2Å; D786-G790 PolarHBondContact O-N 2.88Å
787	G	98.1	Very high	97.7	Very high	47 Å²	47	42.8 Å²	42.8	49%	0.485	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-42.5	172.3	0	0	0	0	0	113.2	G783 V785 E791	G783-G787 PolarHBondContact O-N 2.75Å; G783-G787 VanDerWaalsContact O-N 3.1Å; V785-G787 VanDerWaalsContact C-N 3.31Å; V785-G787 PolarHBondContact O-N 2.91Å; G787-E791 PolarHBondContact O-N 2.8Å
788	L	98.3	Very high	97.8	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-71.9	-43.3	177.5	-78.7	179.4	0	0	0	112.8	V699 L717 P720 W784 V785 G790 E791	V699-L788 HydrophobicContact CG2-CD2 4.3Å; L717-L788 HydrophobicContact CD1-CB 3.87Å; L717-L788 HydrophobicContact CD1-CD1 4.19Å; L717-L788 HydrophobicContact CD1-CD2 4.5Å; L717-L788 HydrophobicContact CD1-CG 4.43Å; L717-L788 HydrophobicContact CD2-CB 4.44Å; P720-L788 HydrophobicContact CG-CD1 4.07Å; W784-L788 HydrophobicContact CD2-CD1 4.47Å; W784-L788 HydrophobicContact CZ2-CD1 4.06Å; W784-L788 WeakPolarHBondContact O-CB 3.46Å; W784-L788 WeakPolarHBondContact O-CG 3.43Å; W784-L788 PolarHBondContact O-N 3.05Å; W784-L788 VanDerWaalsContact O-N 3.08Å; V785-L788 PolarHBondContact O-N 3.19Å; V785-L788 VanDerWaalsContact O-N 3.11Å; L788-G790 VanDerWaalsContact C-N 3.27Å; L788-G790 PolarHBondContact O-N 2.8Å; L788-E791 WeakPolarHBondContact O-CB 3.47Å; L788-E791 PolarHBondContact O-N 2.84Å; L788-E791 VanDerWaalsContact O-N 3.15Å
789	V	98.5	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-41.7	175.7	177	0	0	0	0	109.3	Y528 F532 M535 L717 V719 V785 E791 L792 W793	Y528-V789 HydrophobicContact CD1-CG1 4.45Å; Y528-V789 HydrophobicContact CD1-CG2 4.02Å; Y528-V789 HydrophobicContact CE1-CG2 3.96Å; F532-V789 HydrophobicContact CD1-CG1 3.9Å; F532-V789 HydrophobicContact CE1-CG1 3.58Å; M535-V789 HydrophobicContact SD-CB 4.4Å; M535-V789 HydrophobicContact SD-CG1 3.62Å; L717-V789 HydrophobicContact CD2-CB 4.42Å; L717-V789 HydrophobicContact CD2-CG2 3.9Å; V719-V789 HydrophobicContact CG2-CG2 4.02Å; V785-V789 HydrophobicContact CG1-CG2 4.16Å; V785-V789 WeakPolarHBondContact O-CG2 3.36Å; V785-V789 PolarHBondContact O-N 2.97Å; V789-E791 PolarHBondContact O-N 3.19Å; V789-E791 VanDerWaalsContact O-N 3.16Å; V789-L792 PolarHBondContact O-N 3.3Å; V789-L792 VanDerWaalsContact O-N 3.1Å; V789-W793 HydrophobicContact CG1-CB 4.05Å; V789-W793 HydrophobicContact CG1-CG 4.13Å; V789-W793 WeakPolarHBondContact O-CB 3.35Å; V789-W793 PolarHBondContact O-N 3.06Å
790	G	97.9	Very high	98	Very high	27 Å²	27	33.8 Å²	33.8	28%	0.278	20%	0.199	S	C	.	.	H	α-helix	trans	-61.3	-15.7	174.1	0	0	0	0	0	116	K600 D786 L788	K600-G790 PolarHBondContact NZ-O 2.88Å; D786-G790 PolarHBondContact O-N 2.88Å; L788-G790 VanDerWaalsContact C-N 3.27Å; L788-G790 PolarHBondContact O-N 2.8Å
791	E	97.3	Very high	98	Very high	85 Å²	85	29.5 Å²	29.5	40%	0.397	18%	0.183	S	C	.	.	H	α-helix	trans	-72.2	-37.5	170.7	-75.7	-159.9	-123.3	0	0	112.6	K600 V699 R715 G787 L788 V789	K600-E791 WeakPolarHBondContact CD-O 3.41Å; V699-E791 HydrophobicContact CG2-CB 4.03Å; V699-E791 HydrophobicContact CG2-CG 4.43Å; R715-E791 IonicContact CZ-OE2 3Å; R715-E791 VanDerWaalsContact CZ-OE2 3.31Å; R715-E791 IonicContact NH1-OE2 2.8Å; R715-E791 PolarHBondContact NH1-OE2 3.02Å; R715-E791 IonicContact NH2-OE2 3.69Å; R715-E791 PolarHBondContact NH2-OE2 2.88Å; G787-E791 PolarHBondContact O-N 2.8Å; L788-E791 WeakPolarHBondContact O-CB 3.47Å; L788-E791 PolarHBondContact O-N 2.84Å; L788-E791 VanDerWaalsContact O-N 3.15Å; V789-E791 PolarHBondContact O-N 3.19Å; V789-E791 VanDerWaalsContact O-N 3.16Å
792	L	97.3	Very high	97.7	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.089	21%	0.206	C	C	.	.	H	α-helix	trans	-111.9	-5	-175.2	-61.2	-169	0	0	0	114.3	K600 N602 V699 R715 L717 V789	K600-L792 WeakPolarHBondContact CB-O 3.4Å; K600-L792 PolarHBondContact N-O 3.1Å; N602-L792 HydrophobicContact CB-CD2 4.32Å; V699-L792 HydrophobicContact CG1-CD1 4.15Å; V699-L792 HydrophobicContact CG1-CD2 4.3Å; V699-L792 HydrophobicContact CG1-CG 4.37Å; V699-L792 HydrophobicContact CG2-CG 4.39Å; R715-L792 HydrophobicContact CB-CD2 4.15Å; L717-L792 HydrophobicContact CB-CD1 3.82Å; V789-L792 PolarHBondContact O-N 3.3Å; V789-L792 VanDerWaalsContact O-N 3.1Å
793	W	98.4	Very high	97.4	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.5	178.3	-65.5	84.5	0	0	0	111.7	F532 M535 F573 Y576 V597 A598 P599 K600 G636 L638 V789	F532-W793 HydrophobicContact CE1-CB 4.24Å; F532-W793 AromaticContact CE1-CD2 3.74Å; F532-W793 HydrophobicContact CE1-CD2 3.74Å; F532-W793 HydrophobicContact CE1-CE3 4.07Å; F532-W793 AromaticContact CE1-CG 3.79Å; F532-W793 HydrophobicContact CE1-CG 3.79Å; F532-W793 AromaticContact CZ-CD2 3.84Å; F532-W793 HydrophobicContact CZ-CD2 3.84Å; F532-W793 AromaticContact CZ-CE2 3.91Å; F532-W793 HydrophobicContact CZ-CE3 4.04Å; F532-W793 HydrophobicContact CZ-CG 4.32Å; F532-W793 HydrophobicContact CZ-CH2 4.43Å; F532-W793 HydrophobicContact CZ-CZ2 4.22Å; F532-W793 HydrophobicContact CZ-CZ3 4.33Å; M535-W793 HydrophobicContact CE-CB 3.94Å; F573-W793 HydrophobicContact CE1-CH2 4.2Å; F573-W793 HydrophobicContact CZ-CH2 4.47Å; Y576-W793 AromaticContact CD2-CH2 3.68Å; Y576-W793 HydrophobicContact CD2-CH2 3.68Å; Y576-W793 AromaticContact CD2-CZ3 3.86Å; Y576-W793 HydrophobicContact CD2-CZ3 3.86Å; Y576-W793 AromaticContact CE2-CH2 3.61Å; Y576-W793 HydrophobicContact CE2-CH2 3.61Å; Y576-W793 HydrophobicContact CE2-CZ2 4.24Å; Y576-W793 HydrophobicContact CE2-CZ3 4.27Å; V597-W793 HydrophobicContact CB-CE3 4.34Å; A598-W793 VanDerWaalsContact C-CE3 3.4Å; A598-W793 WeakPolarHBondContact O-CA 3.33Å; P599-W793 HydrophobicContact CB-CD2 4.46Å; P599-W793 HydrophobicContact CB-CE3 4.18Å; P599-W793 HydrophobicContact CB-CH2 3.96Å; P599-W793 HydrophobicContact CB-CZ2 4.25Å; P599-W793 HydrophobicContact CB-CZ3 3.93Å; P599-W793 HydrophobicContact CG-CH2 4.38Å; P599-W793 HydrophobicContact CG-CZ3 4.25Å; K600-W793 VanDerWaalsContact CE-O 3.29Å; K600-W793 WeakPolarHBondContact CE-O 3.09Å; K600-W793 PolarHBondContact NZ-O 3.32Å; G636-W793 WeakPolarHBondContact O-CZ2 3.46Å; L638-W793 HydrophobicContact CD2-CH2 4.42Å; L638-W793 HydrophobicContact CD2-CZ2 3.65Å; V789-W793 HydrophobicContact CG1-CB 4.05Å; V789-W793 HydrophobicContact CG1-CG 4.13Å; V789-W793 WeakPolarHBondContact O-CB 3.35Å; V789-W793 PolarHBondContact O-N 3.06Å
794	E	97.8	Very high	97.3	Very high	97 Å²	97	37.1 Å²	37.1	45%	0.453	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.1	168.9	48.2	-167.3	-147.2	0	0	111.1	V597 A598 K600 A796	V597-E794 CarbonylContact C-O 3.5Å; V597-E794 VanDerWaalsContact CA-O 3.26Å; V597-E794 WeakPolarHBondContact CA-O 3.43Å; A598-E794 PolarHBondContact N-O 2.98Å; A598-E794 PolarHBondContact O-N 3.26Å; K600-E794 WeakPolarHBondContact CE-OE2 3.27Å; K600-E794 HydrophobicContact CG-CG 4.19Å; K600-E794 IonicContact NZ-OE2 2.74Å; E794-A796 PolarHBondContact O-N 2.92Å; E794-A796 VanDerWaalsContact O-N 3.14Å
795	A	97.9	Very high	97	Very high	13 Å²	13	37.1 Å²	37.1	11%	0.107	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	104.5	164.9	0	0	0	0	0	107.9	M535 R539 T595 W596 V597	M535-A795 HydrophobicContact CB-CB 4.36Å; R539-A795 HydrophobicContact CB-CB 3.9Å; R539-A795 WeakPolarHBondContact CD-O 3.37Å; R539-A795 HydrophobicContact CG-CB 4.42Å; R539-A795 PolarHBondContact NH1-O 2.9Å; T595-A795 HydrophobicContact CG2-CB 4.15Å; W596-A795 CarbonylContact O-C 3.59Å; W596-A795 WeakPolarHBondContact O-CA 3.28Å; V597-A795 HydrophobicContact CG1-CB 4.43Å
796	A	97.6	Very high	96.8	Very high	24 Å²	24	37.3 Å²	37.3	20%	0.198	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-37.4	-178.5	0	0	0	0	0	111.4	R539 W596 A598 E794	R539-A796 PolarHBondContact NH1-O 3.29Å; R539-A796 PolarHBondContact NH2-O 2.65Å; W596-A796 HydrophobicContact CD2-CB 3.58Å; W596-A796 HydrophobicContact CE3-CB 3.74Å; W596-A796 HydrophobicContact CG-CB 4.02Å; W596-A796 HydrophobicContact CH2-CB 4.22Å; W596-A796 HydrophobicContact CZ2-CB 4.09Å; W596-A796 HydrophobicContact CZ3-CB 4.06Å; W596-A796 PolarHBondContact O-N 2.65Å; A598-A796 HydrophobicContact CB-CB 3.86Å; E794-A796 PolarHBondContact O-N 2.92Å; E794-A796 VanDerWaalsContact O-N 3.14Å
797	D	98	Very high	96.6	Very high	46 Å²	46	40.2 Å²	40.2	25%	0.246	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	169.1	169.8	-155.7	21.4	0	0	0	113.4	R539 W596 W817	R539-D797 IonicContact CZ-OD1 2.68Å; R539-D797 IonicContact NE-OD1 3.61Å; R539-D797 IonicContact NH2-OD1 2.99Å; R539-D797 PolarHBondContact NH2-OD1 2.83Å; W596-D797 HydrophobicContact CE3-CB 4.06Å; W596-D797 PolarHBondContact N-O 3.4Å; W596-D797 PolarHBondContact O-N 3.08Å; D797-W817 HydrophobicContact CB-CZ2 3.64Å; D797-W817 WeakPolarHBondContact OD2-CZ2 3.36Å; D797-W817 PolarHBondContact OD2-NE1 2.78Å
798	I	98.2	Very high	96.3	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141	174.5	-169.2	162.3	0	0	0	112	G536 A540 M593 E594 T595 M809	G536-I798 VanDerWaalsContact C-CD1 3.42Å; G536-I798 VanDerWaalsContact O-CD1 3.31Å; G536-I798 WeakPolarHBondContact O-CD1 3.28Å; A540-I798 HydrophobicContact CB-CG2 4.18Å; M593-I798 HydrophobicContact CE-CD1 3.54Å; M593-I798 HydrophobicContact CE-CG1 4.03Å; E594-I798 WeakPolarHBondContact O-CA 3.35Å; E594-I798 WeakPolarHBondContact O-CG1 3.31Å; T595-I798 WeakPolarHBondContact OG1-CD1 3.37Å; I798-M809 HydrophobicContact CG1-SD 4.29Å; I798-M809 HydrophobicContact CG2-SD 4.32Å
799	C	98.4	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.9	-176.4	66.9	0	0	0	0	112.8	M593 E594 Q810 C812 W817	M593-C799 CarbonylContact C-O 3.58Å; M593-C799 VanDerWaalsContact CA-O 3.26Å; M593-C799 WeakPolarHBondContact CA-O 3.18Å; E594-C799 PolarHBondContact N-O 2.97Å; E594-C799 PolarHBondContact O-N 2.91Å; C799-Q810 VanDerWaalsContact CA-O 3.29Å; C799-Q810 WeakPolarHBondContact CA-O 3.42Å; C799-Q810 VanDerWaalsContact CB-O 3.26Å; C799-Q810 WeakPolarHBondContact CB-O 3.03Å; C799-C812 HydrophobicContact CB-CB 3.92Å; C799-C812 WeakPolarHBondContact CB-SG 3.41Å; C799-C812 PolarHBondContact O-SG 2.84Å; C799-C812 VanDerWaalsContact O-SG 3.39Å; C799-C812 WeakPolarHBondContact SG-CA 3.44Å; C799-C812 WeakPolarHBondContact SG-CB 3.44Å; C799-C812 CovalentContact SG-SG 2.04Å; C799-C812 PolarHBondContact SG-SG 3.47Å; C799-W817 HydrophobicContact CB-CH2 3.91Å; C799-W817 HydrophobicContact CB-CZ2 3.96Å; C799-W817 WeakPolarHBondContact SG-CH2 3.48Å
800	A	98	Very high	96.1	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.5	173.1	0	0	0	0	0	111.2	T804 M809 Q810 P811 C812	A800-T804 HydrophobicContact CB-CG2 3.69Å; A800-M809 HydrophobicContact CB-CE 4.16Å; A800-M809 HydrophobicContact CB-CG 4.19Å; A800-M809 HydrophobicContact CB-SD 4.41Å; A800-Q810 PolarHBondContact N-O 3.31Å; A800-P811 CarbonylContact O-C 3.48Å; A800-P811 WeakPolarHBondContact O-CA 3.03Å; A800-C812 PolarHBondContact O-N 2.89Å; A800-C812 PolarHBondContact O-SG 3.23Å; A800-C812 VanDerWaalsContact O-SG 3.4Å
801	V	96.7	Very high	96.1	Very high	50 Å²	50	47.7 Å²	47.7	30%	0.303	28%	0.279	S	S	.	.	S	Bend	trans	-79.4	-28.6	177.5	-178.5	0	0	0	0	111.4	I592 C812 M820	I592-V801 HydrophobicContact CB-CB 4.19Å; I592-V801 HydrophobicContact CG2-CB 4.11Å; I592-V801 HydrophobicContact CG2-CG2 4.03Å; I592-V801 PolarHBondContact O-N 2.87Å; V801-C812 HydrophobicContact CG2-CB 4.41Å; V801-M820 HydrophobicContact CG1-CE 4.29Å
802	G	92.9	Very high	96.1	Very high	48 Å²	48	43.7 Å²	43.7	50%	0.495	26%	0.261	S	S	.	.	S	Bend	trans	-123	-151	177.2	0	0	0	0	0	112.6
803	L	91.7	Very high	96.1	Very high	174 Å²	174	45.9 Å²	45.9	91%	0.911	28%	0.281	S	S	*	.			trans	-65.2	144	169.1	-62.8	173.2	0	0	0	110.2
804	T	95.1	Very high	96	Very high	45 Å²	45	53 Å²	53	28%	0.276	31%	0.312	S	S	.	.			trans	-136.4	149.1	176.5	178.9	0	0	0	0	110.7	Y555 E591 A800 C806 M809	Y555-T804 PolarHBondContact OH-OG1 2.83Å; E591-T804 WeakPolarHBondContact OE1-CA 3.44Å; E591-T804 PolarHBondContact OE1-OG1 3.12Å; E591-T804 VanDerWaalsContact OE2-CB 3.26Å; E591-T804 WeakPolarHBondContact OE2-CB 3.36Å; E591-T804 PolarHBondContact OE2-OG1 2.85Å; A800-T804 HydrophobicContact CB-CG2 3.69Å; T804-C806 PolarHBondContact OG1-N 3.26Å; T804-M809 HydrophobicContact CG2-CB 4.34Å; T804-M809 HydrophobicContact CG2-CE 4.33Å; T804-M809 VanDerWaalsContact OG1-CE 3.29Å; T804-M809 WeakPolarHBondContact OG1-CE 3.18Å
805	A	93.1	Very high	95.9	Very high	35 Å²	35	48.7 Å²	48.7	29%	0.289	29%	0.293	S	S	.	.	S	Bend	trans	-86.4	-9.9	172.3	0	0	0	0	0	113.7	T587 E591 P807	T587-A805 HydrophobicContact CG2-CB 3.54Å; E591-A805 PolarHBondContact OE1-N 3.23Å; A805-P807 WeakPolarHBondContact O-CD 3.45Å
806	C	94.3	Very high	95.8	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.02	31%	0.314	C	S	.	.			trans	-82	111.2	179.7	174.2	0	0	0	0	111	S552 C553 Y555 T804 V808 M809	S552-C806 VanDerWaalsContact O-CA 3.27Å; S552-C806 WeakPolarHBondContact O-CA 3.4Å; S552-C806 WeakPolarHBondContact O-CB 3.09Å; S552-C806 PolarHBondContact O-N 2.81Å; C553-C806 HydrophobicContact CB-CB 3.9Å; C553-C806 WeakPolarHBondContact CB-SG 3.26Å; C553-C806 WeakPolarHBondContact SG-CA 3.44Å; C553-C806 WeakPolarHBondContact SG-CB 3.45Å; C553-C806 CovalentContact SG-SG 2.04Å; C553-C806 PolarHBondContact SG-SG 3.39Å; Y555-C806 HydrophobicContact CE2-CB 4.41Å; Y555-C806 WeakPolarHBondContact OH-CB 3.47Å; T804-C806 PolarHBondContact OG1-N 3.26Å; C806-V808 VanDerWaalsContact C-N 3.26Å; C806-V808 PolarHBondContact O-N 3.25Å; C806-V808 VanDerWaalsContact O-N 3.16Å; C806-M809 HydrophobicContact CB-CB 4.18Å; C806-M809 HydrophobicContact CB-CE 4Å; C806-M809 PolarHBondContact O-N 3.12Å
807	P	92.8	Very high	95.8	Very high	98 Å²	98	51.6 Å²	51.6	64%	0.636	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.9	-167.4	27.1	-36.5	0	0	0	115	L544 A805	L544-P807 HydrophobicContact CD1-CG 4.03Å; A805-P807 WeakPolarHBondContact O-CD 3.45Å
808	V	93.1	Very high	95.8	Very high	67 Å²	67	49.4 Å²	49.4	41%	0.406	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.1	180	-62.3	0	0	0	0	113.8	L544 C806	L544-V808 HydrophobicContact CD1-CG1 4.47Å; C806-V808 VanDerWaalsContact C-N 3.26Å; C806-V808 PolarHBondContact O-N 3.25Å; C806-V808 VanDerWaalsContact O-N 3.16Å
809	M	95.4	Very high	95.8	Very high	18 Å²	18	49.4 Å²	49.4	9%	0.089	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-86.2	132	-170.4	-177.3	150.4	55.3	0	0	112.8	Y555 M593 I798 A800 T804 C806	Y555-M809 HydrophobicContact CE2-CE 4.36Å; Y555-M809 WeakPolarHBondContact OH-CE 3.42Å; M593-M809 HydrophobicContact CE-CE 3.58Å; M593-M809 HydrophobicContact CE-SD 3.71Å; M593-M809 HydrophobicContact CG-CE 4.47Å; M593-M809 HydrophobicContact SD-CE 4.31Å; I798-M809 HydrophobicContact CG1-SD 4.29Å; I798-M809 HydrophobicContact CG2-SD 4.32Å; A800-M809 HydrophobicContact CB-CE 4.16Å; A800-M809 HydrophobicContact CB-CG 4.19Å; A800-M809 HydrophobicContact CB-SD 4.41Å; T804-M809 HydrophobicContact CG2-CB 4.34Å; T804-M809 HydrophobicContact CG2-CE 4.33Å; T804-M809 VanDerWaalsContact OG1-CE 3.29Å; T804-M809 WeakPolarHBondContact OG1-CE 3.18Å; C806-M809 HydrophobicContact CB-CB 4.18Å; C806-M809 HydrophobicContact CB-CE 4Å; C806-M809 PolarHBondContact O-N 3.12Å
810	Q	96.2	Very high	95.7	Very high	104 Å²	104	53.6 Å²	53.6	49%	0.486	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	149.7	-178.9	-64.8	-55.9	-49.8	0	0	112.8	C799 A800	C799-Q810 VanDerWaalsContact CA-O 3.29Å; C799-Q810 WeakPolarHBondContact CA-O 3.42Å; C799-Q810 VanDerWaalsContact CB-O 3.26Å; C799-Q810 WeakPolarHBondContact CB-O 3.03Å; A800-Q810 PolarHBondContact N-O 3.31Å
811	P	97.8	Very high	95.7	Very high	55 Å²	55	53.9 Å²	53.9	36%	0.357	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.4	169.5	-17.8	31.5	0	0	0	111.3	A800 A813 K814 S815	A800-P811 CarbonylContact O-C 3.48Å; A800-P811 WeakPolarHBondContact O-CA 3.03Å; P811-A813 VanDerWaalsContact C-N 3.25Å; P811-A813 PolarHBondContact O-N 2.81Å; P811-A813 VanDerWaalsContact O-N 3.13Å; P811-K814 HydrophobicContact CG-CD 4.29Å; P811-K814 WeakPolarHBondContact O-CB 3.33Å; P811-K814 PolarHBondContact O-N 2.76Å; P811-S815 PolarHBondContact O-N 3.36Å
812	C	97.9	Very high	95.7	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.007	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-55.2	-36.1	-175.2	-68.5	0	0	0	0	114	C799 A800 V801 K814 S815 S818 M820	C799-C812 HydrophobicContact CB-CB 3.92Å; C799-C812 WeakPolarHBondContact CB-SG 3.41Å; C799-C812 PolarHBondContact O-SG 2.84Å; C799-C812 VanDerWaalsContact O-SG 3.39Å; C799-C812 WeakPolarHBondContact SG-CA 3.44Å; C799-C812 WeakPolarHBondContact SG-CB 3.44Å; C799-C812 CovalentContact SG-SG 2.04Å; C799-C812 PolarHBondContact SG-SG 3.47Å; A800-C812 PolarHBondContact O-N 2.89Å; A800-C812 PolarHBondContact O-SG 3.23Å; A800-C812 VanDerWaalsContact O-SG 3.4Å; V801-C812 HydrophobicContact CG2-CB 4.41Å; C812-K814 PolarHBondContact O-N 2.85Å; C812-K814 VanDerWaalsContact O-N 3.1Å; C812-S815 PolarHBondContact O-N 2.93Å; C812-S818 WeakPolarHBondContact CB-OG 3.48Å; C812-S818 VanDerWaalsContact O-CB 3.3Å; C812-S818 WeakPolarHBondContact O-CB 3.4Å; C812-M820 HydrophobicContact CB-CB 3.96Å; C812-M820 HydrophobicContact CB-CG 4.18Å
813	A	96.8	Very high	95.9	Very high	62 Å²	62	51.6 Å²	51.6	51%	0.512	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-64.5	-12.1	176.4	0	0	0	0	0	114.3	P811	P811-A813 VanDerWaalsContact C-N 3.25Å; P811-A813 PolarHBondContact O-N 2.81Å; P811-A813 VanDerWaalsContact O-N 3.13Å
814	K	95.6	Very high	96.2	Very high	161 Å²	161	45.2 Å²	45.2	70%	0.7	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-101.5	-17.6	173.1	-61.5	-175.4	179.6	-179.2	0	113.2	P811 C812 P816	P811-K814 HydrophobicContact CG-CD 4.29Å; P811-K814 WeakPolarHBondContact O-CB 3.33Å; P811-K814 PolarHBondContact O-N 2.76Å; C812-K814 PolarHBondContact O-N 2.85Å; C812-K814 VanDerWaalsContact O-N 3.1Å; K814-P816 WeakPolarHBondContact O-CD 3.4Å
815	S	96.1	Very high	96.3	Very high	7 Å²	7	43.5 Å²	43.5	5%	0.049	25%	0.254	C	S	.	.			trans	-80.3	114	-179.6	-65	0	0	0	0	110.5	P811 C812 W817 S818 S821	P811-S815 PolarHBondContact O-N 3.36Å; C812-S815 PolarHBondContact O-N 2.93Å; S815-W817 PolarHBondContact O-N 2.94Å; S815-S818 WeakPolarHBondContact O-CB 3.4Å; S815-S818 PolarHBondContact O-N 3.11Å; S815-S821 WeakPolarHBondContact O-CB 3.33Å
816	P	95.3	Very high	96.5	Very high	84 Å²	84	42.1 Å²	42.1	55%	0.545	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.9	-169.4	29	-37	0	0	0	114.8	K814	K814-P816 WeakPolarHBondContact O-CD 3.4Å
817	W	97.6	Very high	96.6	Very high	13 Å²	13	46.4 Å²	46.4	5%	0.049	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-19.2	173.3	56	-105.6	0	0	0	113.4	W508 Y567 L577 E594 W596 D797 C799 S815	W508-W817 PolarHBondContact NE1-O 3.47Å; Y567-W817 HydrophobicContact CD1-CB 4.32Å; Y567-W817 HydrophobicContact CE1-CB 3.58Å; L577-W817 WeakPolarHBondContact CD1-O 3.33Å; L577-W817 HydrophobicContact CD2-CE3 3.74Å; L577-W817 HydrophobicContact CD2-CZ3 4.12Å; E594-W817 HydrophobicContact CG-CZ3 4.24Å; E594-W817 WeakPolarHBondContact O-CH2 3.48Å; W596-W817 HydrophobicContact CB-CD2 4.06Å; W596-W817 HydrophobicContact CB-CE3 3.7Å; W596-W817 HydrophobicContact CB-CH2 4.2Å; W596-W817 HydrophobicContact CB-CZ3 3.79Å; W596-W817 HydrophobicContact CD2-CB 4.41Å; W596-W817 HydrophobicContact CD2-CD2 4.49Å; W596-W817 HydrophobicContact CD2-CG 4.34Å; W596-W817 HydrophobicContact CE3-CB 3.97Å; W596-W817 AromaticContact CE3-CD1 3.72Å; W596-W817 HydrophobicContact CE3-CD2 4.01Å; W596-W817 AromaticContact CE3-CG 3.64Å; W596-W817 HydrophobicContact CE3-CG 3.64Å; W596-W817 HydrophobicContact CG-CE3 4.4Å; W596-W817 HydrophobicContact CZ3-CB 4.27Å; W596-W817 AromaticContact CZ3-CD1 4Å; W596-W817 HydrophobicContact CZ3-CG 4.17Å; D797-W817 HydrophobicContact CB-CZ2 3.64Å; D797-W817 WeakPolarHBondContact OD2-CZ2 3.36Å; D797-W817 PolarHBondContact OD2-NE1 2.78Å; C799-W817 HydrophobicContact CB-CH2 3.91Å; C799-W817 HydrophobicContact CB-CZ2 3.96Å; C799-W817 WeakPolarHBondContact SG-CH2 3.48Å; S815-W817 PolarHBondContact O-N 2.94Å
818	S	98.5	Very high	96.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-71	148.6	-169.8	175.8	0	0	0	0	112.5	E594 C812 S815 M820 S821	E594-S818 VanDerWaalsContact OE2-CA 3.29Å; E594-S818 WeakPolarHBondContact OE2-CA 3.48Å; E594-S818 VanDerWaalsContact OE2-CB 3.32Å; E594-S818 WeakPolarHBondContact OE2-CB 3.28Å; E594-S818 PolarHBondContact OE2-OG 2.61Å; C812-S818 WeakPolarHBondContact CB-OG 3.48Å; C812-S818 VanDerWaalsContact O-CB 3.3Å; C812-S818 WeakPolarHBondContact O-CB 3.4Å; S815-S818 WeakPolarHBondContact O-CB 3.4Å; S815-S818 PolarHBondContact O-N 3.11Å; S818-M820 PolarHBondContact O-N 2.81Å; S818-M820 PolarHBondContact OG-N 3.47Å; S818-M820 VanDerWaalsContact OG-N 3.07Å; S818-S821 VanDerWaalsContact O-CB 3.26Å; S818-S821 WeakPolarHBondContact O-CB 3.43Å; S818-S821 PolarHBondContact O-N 3.02Å; S818-S821 PolarHBondContact O-OG 3.24Å
819	S	98.1	Very high	96.9	Very high	11 Å²	11	41.8 Å²	41.8	8%	0.077	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.6	170.5	73.5	0	0	0	0	112.2	R217 H565 E594 S821	R217-S819 PolarHBondContact NH2-O 3.34Å; H565-S819 PolarHBondContact CE1-OG 3.39Å; H565-S819 WeakPolarHBondContact ND1-CB 3.4Å; E594-S819 VanDerWaalsContact OE1-CB 3.31Å; E594-S819 WeakPolarHBondContact OE1-CB 3.48Å; E594-S819 PolarHBondContact OE1-OG 2.81Å; E594-S819 PolarHBondContact OE2-N 3.26Å; S819-S821 VanDerWaalsContact C-N 3.33Å
820	M	97.4	Very high	97	Very high	88 Å²	88	44.8 Å²	44.8	43%	0.433	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.4	176.3	-58.5	-61.9	-58	0	0	113.7	V801 C812 S818	V801-M820 HydrophobicContact CG1-CE 4.29Å; C812-M820 HydrophobicContact CB-CB 3.96Å; C812-M820 HydrophobicContact CB-CG 4.18Å; S818-M820 PolarHBondContact O-N 2.81Å; S818-M820 PolarHBondContact OG-N 3.47Å; S818-M820 VanDerWaalsContact OG-N 3.07Å
821	S	96.9	Very high	97	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.049	26%	0.26	C	S	.	.	S	Bend	trans	-73.2	157.7	179.9	70.9	0	0	0	0	112.7	W508 S815 S818 S819 D823	W508-S821 WeakPolarHBondContact CH2-OG 3.4Å; W508-S821 WeakPolarHBondContact CZ2-OG 3.44Å; S815-S821 WeakPolarHBondContact O-CB 3.33Å; S818-S821 VanDerWaalsContact O-CB 3.26Å; S818-S821 WeakPolarHBondContact O-CB 3.43Å; S818-S821 PolarHBondContact O-N 3.02Å; S818-S821 PolarHBondContact O-OG 3.24Å; S819-S821 VanDerWaalsContact C-N 3.33Å; S821-D823 PolarHBondContact O-N 2.92Å
822	P	96.9	Very high	97	Very high	49 Å²	49	44.8 Å²	44.8	32%	0.318	27%	0.265	S	S	.	.			trans	-61.8	128.1	177.7	-23.6	34.9	0	0	0	112.3	L502	L502-P822 HydrophobicContact CD1-CB 4.46Å; L502-P822 HydrophobicContact CD1-CG 4.19Å
823	D	97.7	Very high	97	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	31%	0.311	C	S	.	.			trans	-129.2	69.6	179.8	-165.2	-1.3	0	0	0	111.7	R217 W508 S821 K825 S826 Q827	R217-D823 WeakPolarHBondContact CD-OD2 3.31Å; R217-D823 IonicContact CZ-OD2 3.92Å; R217-D823 IonicContact NE-OD2 3.75Å; R217-D823 IonicContact NH1-OD2 3.29Å; R217-D823 PolarHBondContact NH1-OD2 3.16Å; W508-D823 VanDerWaalsContact CE3-OD2 3.27Å; W508-D823 HydrophobicContact CZ3-CB 4.13Å; W508-D823 WeakPolarHBondContact CZ3-OD2 3.32Å; S821-D823 PolarHBondContact O-N 2.92Å; D823-K825 PolarHBondContact O-N 2.99Å; D823-K825 WeakPolarHBondContact OD1-CG 3.31Å; D823-K825 IonicContact OD1-NZ 3.69Å; D823-K825 PolarHBondContact OD1-NZ 3.06Å; D823-K825 IonicContact OD2-NZ 2.7Å; D823-K825 PolarHBondContact OD2-NZ 3.1Å; D823-S826 PolarHBondContact O-N 3.24Å; D823-S826 VanDerWaalsContact O-N 3.09Å; D823-S826 PolarHBondContact OD2-OG 3.4Å; D823-Q827 VanDerWaalsContact O-CG 3.31Å; D823-Q827 WeakPolarHBondContact O-CG 3.23Å; D823-Q827 PolarHBondContact O-N 3.43Å
824	P	97	Very high	96.9	Very high	41 Å²	41	53.4 Å²	53.4	27%	0.266	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.3	-166.7	-25.7	38.9	0	0	0	115	K224 T501 L502	K224-P824 PolarHBondContact NZ-O 3.26Å; T501-P824 HydrophobicContact CG2-CB 4.1Å; T501-P824 HydrophobicContact CG2-CG 3.99Å; L502-P824 WeakPolarHBondContact O-CD 3.4Å
825	K	97.3	Very high	97	Very high	9 Å²	9	46 Å²	46	4%	0.039	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-28.7	175.8	77.9	-165.4	-176.7	-72.1	0	113	L497 G503 S506 D823	L497-K825 HydrophobicContact CD1-CB 4.1Å; G503-K825 PolarHBondContact O-NZ 3.13Å; S506-K825 WeakPolarHBondContact O-CE 3.47Å; S506-K825 PolarHBondContact O-NZ 3.43Å; D823-K825 PolarHBondContact O-N 2.99Å; D823-K825 WeakPolarHBondContact OD1-CG 3.31Å; D823-K825 IonicContact OD1-NZ 3.69Å; D823-K825 PolarHBondContact OD1-NZ 3.06Å; D823-K825 IonicContact OD2-NZ 2.7Å; D823-K825 PolarHBondContact OD2-NZ 3.1Å
826	S	97.2	Very high	97	Very high	5 Å²	5	46.5 Å²	46.5	4%	0.035	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-16	175.9	68.3	0	0	0	0	113.9	R217 Q220 D823	R217-S826 VanDerWaalsContact O-CB 3.32Å; R217-S826 WeakPolarHBondContact O-CB 3.44Å; Q220-S826 WeakPolarHBondContact CB-O 3.45Å; D823-S826 PolarHBondContact O-N 3.24Å; D823-S826 VanDerWaalsContact O-N 3.09Å; D823-S826 PolarHBondContact OD2-OG 3.4Å
827	Q	96.8	Very high	97.1	Very high	93 Å²	93	42.8 Å²	42.8	44%	0.435	26%	0.257	S	S	.	.			trans	-63.4	136.9	171.4	-73.7	169.3	-12.7	0	0	110.9	K224 D823	K224-Q827 WeakPolarHBondContact CE-O 3.41Å; K224-Q827 PolarHBondContact NZ-O 3.46Å; D823-Q827 VanDerWaalsContact O-CG 3.31Å; D823-Q827 WeakPolarHBondContact O-CG 3.23Å; D823-Q827 PolarHBondContact O-N 3.43Å
828	L	97.3	Very high	97	Very high	32 Å²	32	44.5 Å²	44.5	17%	0.168	26%	0.263	C	S	.	.			trans	-107.9	153.9	180	-55.6	-178.6	0	0	0	109.4	Q220 F223 K224 L251 Y255 I837	Q220-L828 HydrophobicContact CB-CD1 4.41Å; Q220-L828 HydrophobicContact CB-CG 4.48Å; Q220-L828 HydrophobicContact CG-CD1 4.24Å; F223-L828 HydrophobicContact CD1-CD1 3.81Å; F223-L828 HydrophobicContact CD1-CD2 4.17Å; F223-L828 HydrophobicContact CE1-CD1 4.14Å; K224-L828 HydrophobicContact CB-CD2 3.8Å; K224-L828 HydrophobicContact CD-CD2 4.16Å; K224-L828 HydrophobicContact CG-CD2 3.78Å; L251-L828 HydrophobicContact CD1-CD1 3.47Å; L251-L828 VanDerWaalsContact CD1-CD1 3.47Å; L251-L828 HydrophobicContact CG-CD1 3.64Å; Y255-L828 HydrophobicContact CE2-CB 4.45Å; Y255-L828 HydrophobicContact CE2-CD1 4.38Å; Y255-L828 WeakPolarHBondContact OH-CB 3.33Å; L828-I837 HydrophobicContact CD2-CD1 4.14Å
829	G	95.5	Very high	96.9	Very high	36 Å²	36	46.8 Å²	46.8	37%	0.371	28%	0.277	S	S	.	.			trans	-152.6	-179.2	-175.2	0	0	0	0	0	112.9	Y255 I837	Y255-G829 PolarHBondContact OH-N 2.92Å; Y255-G829 PolarHBondContact OH-O 2.96Å; G829-I837 WeakPolarHBondContact O-CG2 3.4Å
830	A	97.1	Very high	96.9	Very high	82 Å²	82	48.6 Å²	48.6	68%	0.678	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-60.6	142.6	178.4	0	0	0	0	0	111.6
831	P	97.2	Very high	96.8	Very high	55 Å²	55	46.4 Å²	46.4	36%	0.357	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-57.6	139.2	175.2	-25.2	35.5	0	0	0	113.2	Y227 T229 Y255 R836 I837	Y227-P831 HydrophobicContact CE1-CB 4.42Å; Y227-P831 HydrophobicContact CE1-CG 3.96Å; T229-P831 HydrophobicContact CG2-CB 3.77Å; T229-P831 HydrophobicContact CG2-CG 3.93Å; Y255-P831 HydrophobicContact CD1-CG 4.48Å; Y255-P831 HydrophobicContact CE1-CG 4.27Å; P831-R836 CarbonylContact C-O 3.53Å; P831-R836 WeakPolarHBondContact CA-O 3.48Å; P831-I837 HydrophobicContact CB-CG2 4.29Å; P831-I837 HydrophobicContact CG-CG2 4.18Å
832	H	96.9	Very high	96.8	Very high	103 Å²	103	48.8 Å²	48.8	48%	0.477	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-73.8	167.4	171	-60.3	-41.9	0	0	0	110.9	D834 G835 R836	H832-D834 VanDerWaalsContact CB-OD1 3.3Å; H832-D834 WeakPolarHBondContact CB-OD1 3.4Å; H832-D834 PolarHBondContact O-N 3.34Å; H832-D834 VanDerWaalsContact O-N 3.1Å; H832-G835 PolarHBondContact O-N 3.22Å; H832-R836 PolarHBondContact N-O 3.18Å
833	P	97.1	Very high	96.8	Very high	150 Å²	150	48.8 Å²	48.8	97%	0.974	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.5	-178.5	-26	36.4	0	0	0	115.4	G835	P833-G835 VanDerWaalsContact C-N 3.3Å
834	D	95.4	Very high	96.8	Very high	94 Å²	94	51.9 Å²	51.9	50%	0.503	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3.5	173.4	72.2	-18.7	0	0	0	113.4	H228 H832 R836	H228-D834 PolarHBondContact NE2-O 2.86Å; H832-D834 VanDerWaalsContact CB-OD1 3.3Å; H832-D834 WeakPolarHBondContact CB-OD1 3.4Å; H832-D834 PolarHBondContact O-N 3.34Å; H832-D834 VanDerWaalsContact O-N 3.1Å; D834-R836 VanDerWaalsContact C-N 3.33Å; D834-R836 PolarHBondContact O-N 2.96Å; D834-R836 VanDerWaalsContact OD1-CB 3.32Å; D834-R836 WeakPolarHBondContact OD1-CB 3.47Å; D834-R836 PolarHBondContact OD1-N 3.36Å; D834-R836 WeakPolarHBondContact OD2-CB 3.3Å; D834-R836 WeakPolarHBondContact OD2-CG 3.32Å
835	G	96.8	Very high	96.8	Very high	6 Å²	6	52.7 Å²	52.7	6%	0.062	31%	0.313	C	S	.	.	S	Bend	trans	80.1	3.1	-178.1	0	0	0	0	0	115.4	H228 T229 H832 P833	H228-G835 WeakPolarHBondContact CA-O 3.47Å; T229-G835 PolarHBondContact N-O 3.39Å; T229-G835 VanDerWaalsContact N-O 3.07Å; T229-G835 WeakPolarHBondContact OG1-CA 3.37Å; H832-G835 PolarHBondContact O-N 3.22Å; P833-G835 VanDerWaalsContact C-N 3.3Å
836	R	97.8	Very high	96.7	Very high	17 Å²	17	56.1 Å²	56.1	6%	0.064	33%	0.334	C	S	.	.			trans	-94.7	168.1	-178.3	-60.1	-74.7	-68.8	164	-4	112.2	A225 Y227 P831 H832 D834	A225-R836 PolarHBondContact O-NH1 3.18Å; A225-R836 PolarHBondContact O-NH2 3.38Å; Y227-R836 PolarHBondContact O-NH1 3.19Å; P831-R836 CarbonylContact C-O 3.53Å; P831-R836 WeakPolarHBondContact CA-O 3.48Å; H832-R836 PolarHBondContact N-O 3.18Å; D834-R836 VanDerWaalsContact C-N 3.33Å; D834-R836 PolarHBondContact O-N 2.96Å; D834-R836 VanDerWaalsContact OD1-CB 3.32Å; D834-R836 WeakPolarHBondContact OD1-CB 3.47Å; D834-R836 PolarHBondContact OD1-N 3.36Å; D834-R836 WeakPolarHBondContact OD2-CB 3.3Å; D834-R836 WeakPolarHBondContact OD2-CG 3.32Å
837	I	97	Very high	96.7	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	36%	0.359	C	S	.	.			trans	-130.6	9.8	169.2	59.5	175.9	0	0	0	112.5	F223 K224 Y227 Y255 L828 G829 P831	F223-I837 HydrophobicContact CD1-CD1 4.13Å; F223-I837 HydrophobicContact CE1-CD1 3.8Å; K224-I837 WeakPolarHBondContact CE-O 3.44Å; K224-I837 HydrophobicContact CG-CD1 4.21Å; K224-I837 HydrophobicContact CG-CG1 3.93Å; K224-I837 WeakPolarHBondContact CG-O 3.47Å; Y227-I837 HydrophobicContact CD1-CB 4.32Å; Y227-I837 HydrophobicContact CD1-CD1 3.89Å; Y227-I837 HydrophobicContact CD1-CG1 3.71Å; Y227-I837 HydrophobicContact CD1-CG2 3.87Å; Y227-I837 HydrophobicContact CD2-CD1 4.39Å; Y227-I837 HydrophobicContact CE1-CG2 4.04Å; Y227-I837 HydrophobicContact CG-CD1 3.72Å; Y227-I837 HydrophobicContact CG-CG1 3.89Å; Y255-I837 HydrophobicContact CE1-CD1 4.43Å; Y255-I837 HydrophobicContact CE1-CG2 4.2Å; L828-I837 HydrophobicContact CD2-CD1 4.14Å; G829-I837 WeakPolarHBondContact O-CG2 3.4Å; P831-I837 HydrophobicContact CB-CG2 4.29Å; P831-I837 HydrophobicContact CG-CG2 4.18Å
838	R	95.5	Very high	96.7	Very high	50 Å²	50	57.4 Å²	57.4	19%	0.189	35%	0.352	C	S	.	.			trans	-129.9	0	177.4	173.5	55.6	-171.4	81.9	-0.2	109.7	K224 D490 F494 G495	K224-R838 HydrophobicContact CG-CB 4.04Å; K224-R838 WeakPolarHBondContact O-CB 3.43Å; D490-R838 IonicContact OD1-NE 3.19Å; D490-R838 IonicContact OD2-CZ 2.8Å; D490-R838 VanDerWaalsContact OD2-CZ 3.3Å; D490-R838 IonicContact OD2-NE 3.34Å; D490-R838 PolarHBondContact OD2-NE 3.37Å; D490-R838 IonicContact OD2-NH2 3.85Å; D490-R838 PolarHBondContact OD2-NH2 3.46Å; F494-R838 HydrophobicContact CB-CG 3.98Å; F494-R838 VanDerWaalsContact CB-CZ 3.44Å; F494-R838 HydrophobicContact CD2-CG 3.75Å; F494-R838 HydrophobicContact CE2-CG 4.42Å; F494-R838 HydrophobicContact CG-CG 3.84Å; F494-R838 PolarHBondContact O-NH1 2.92Å; G495-R838 PolarHBondContact O-NH2 3.15Å

Retrieved 838 of 838 residues in 1185.4 ms (Link to these results)

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